data_2lls_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 2lls _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 . . . . . . . . . . . . . 2.6 m . . . . . 0 C--O 1.248 0.989 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -57.61 -43.66 84.89 Favored 'General case' 0 CA--C 1.51 -0.582 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.492 HD12 ' CD2' ' B' ' 11' ' ' LEU . 0.2 OUTLIER -61.2 -44.18 97.7 Favored 'General case' 0 CA--C 1.5 -0.964 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.303 177.883 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -61.8 -45.91 91.8 Favored 'General case' 0 N--CA 1.432 -1.339 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.0 m -64.29 -48.95 73.71 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.707 175.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.29 -48.8 80.27 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.944 0.402 . . . . 0.0 110.642 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.484 ' HG2' ' O ' ' A' ' 4' ' ' LEU . 97.5 mmm -64.41 -40.58 96.06 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.652 -179.173 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -65.14 -36.75 85.24 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.236 -0.586 . . . . 0.0 110.588 175.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 19.3 m -59.52 -42.07 91.4 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 176.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 89.3 mt -61.66 -40.55 95.32 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 173.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.406 HG21 ' OD1' ' B' ' 86' ' ' ASN . 19.4 mm -62.01 -43.73 98.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.811 178.183 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 -60.73 -45.46 94.2 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 120.659 -0.416 . . . . 0.0 109.984 -177.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.475 HG23 HD11 ' B' ' 4' ' ' LEU . 53.3 t -65.09 -45.37 94.48 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.685 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.344 175.539 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.454 ' CZ ' ' HA ' ' A' ' 70' ' ' ASP . 83.9 t80 -59.29 -47.58 84.84 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 177.745 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -58.43 -42.64 87.76 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.966 176.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.79 -50.15 73.18 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.564 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 88.1 m-70 -69.23 -40.68 77.79 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.538 178.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 36.0 m -57.48 -39.2 75.87 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 120.059 -0.656 . . . . 0.0 109.676 178.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.22 -43.07 98.83 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 109.662 -1.375 . . . . 0.0 109.662 175.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -67.06 -44.34 80.39 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 121.263 -0.175 . . . . 0.0 111.367 178.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.484 ' CD ' ' HG ' ' A' ' 29' ' ' SER . 0.0 OUTLIER -66.76 -35.51 80.27 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 120.235 -0.586 . . . . 0.0 110.892 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 119.2 -23.55 8.55 Favored Glycine 0 N--CA 1.461 0.348 0 C-N-CA 121.383 -0.437 . . . . 0.0 113.272 172.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -69.6 150.62 46.87 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 117.639 0.719 . . . . 0.0 110.715 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 35.3 pttt -60.33 -34.82 74.37 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 176.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -168.12 90.67 0.3 Allowed 'General case' 0 N--CA 1.446 -0.655 0 CA-C-O 121.775 0.798 . . . . 0.0 110.913 169.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.554 ' CE ' ' HB3' ' A' ' 70' ' ' ASP . 29.4 mmmt -164.44 165.69 21.24 Favored 'General case' 0 C--N 1.313 -1.005 0 N-CA-C 105.904 -1.887 . . . . 0.0 105.904 171.624 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.535 ' HB3' ' O ' ' A' ' 69' ' ' VAL . 31.4 tp -124.72 125.46 44.11 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 175.755 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.484 ' HG ' ' CD ' ' A' ' 22' ' ' GLU . 2.1 m -82.0 157.48 24.2 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 177.296 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.413 ' HE3' ' O ' ' A' ' 64' ' ' ASN . 20.0 mmtp -65.73 -5.88 9.97 Favored 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 120.3 -0.56 . . . . 0.0 109.774 179.514 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.412 ' H ' ' C ' ' A' ' 29' ' ' SER . 62.7 mttm -63.19 -46.05 88.91 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.442 ' O ' ' HB3' ' A' ' 36' ' ' LEU . 58.9 mm-40 -89.05 -38.04 14.69 Favored 'General case' 0 N--CA 1.44 -0.944 0 CA-C-N 113.65 -1.613 . . . . 0.0 111.701 -175.56 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -56.99 -45.16 83.17 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.74 -0.664 . . . . 0.0 112.04 -167.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.56 -44.69 89.92 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 118.819 -1.152 . . . . 0.0 109.843 178.616 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 76.9 mt-10 -64.99 -46.54 81.03 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 179.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.442 ' HB3' ' O ' ' A' ' 32' ' ' GLU . 4.4 tp -62.07 -51.47 67.84 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.176 -0.92 . . . . 0.0 111.774 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -63.97 -46.09 86.21 Favored 'General case' 0 C--N 1.305 -1.352 0 C-N-CA 119.483 -0.887 . . . . 0.0 111.83 -175.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -66.71 -39.2 87.93 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.302 -0.559 . . . . 0.0 110.714 178.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 59.6 m -70.56 -60.23 2.38 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.386 -177.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.412 ' CD ' HD13 ' A' ' 36' ' ' LEU . 14.9 mp0 -62.87 -36.81 84.5 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 -176.079 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.436 ' HA ' ' CG ' ' B' ' 5' ' ' GLU . 10.2 mp -99.46 39.36 1.31 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.776 0.322 . . . . 0.0 110.777 178.176 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 60.4 m -57.89 -44.55 86.81 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 120.209 -0.596 . . . . 0.0 111.594 -175.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -66.74 -43.64 91.33 Favored Glycine 0 C--N 1.32 -0.356 0 N-CA-C 111.231 -0.747 . . . . 0.0 111.231 179.161 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -64.3 -45.87 86.05 Favored 'General case' 0 CA--C 1.496 -1.099 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 178.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.445 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 40.5 tp -62.03 -47.14 86.08 Favored 'General case' 0 N--CA 1.429 -1.48 0 CA-C-N 114.831 -1.077 . . . . 0.0 111.09 176.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.445 ' HA ' ' HE3' ' A' ' 49' ' ' LYS . 28.4 t70 -62.09 -36.79 82.77 Favored 'General case' 0 CA--C 1.506 -0.722 0 CA-C-O 120.857 0.36 . . . . 0.0 110.264 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.39 -25.0 68.09 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.339 176.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.544 ' NE2' ' HB ' ' A' ' 54' ' ' VAL . 0.0 OUTLIER -147.83 46.57 1.1 Allowed 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 -175.066 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.445 ' HG3' ' O ' ' A' ' 45' ' ' LEU . 76.5 mttt -62.78 -44.11 97.04 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 120.995 0.426 . . . . 0.0 111.076 176.491 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -82.04 -8.7 59.68 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.75 -0.659 . . . . 0.0 112.4 -175.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 72.9 t -68.2 135.96 27.43 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 -178.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.621 ' CG ' ' HZ1' ' A' ' 56' ' ' LYS . 34.4 t70 -59.99 -36.31 76.9 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 120.991 0.424 . . . . 0.0 110.935 -175.377 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.77 -42.51 65.08 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.425 -177.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.544 ' HB ' ' NE2' ' A' ' 48' ' ' GLN . 7.2 p -60.28 -38.31 76.98 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.301 0 C-N-CA 119.671 -0.812 . . . . 0.0 111.207 -179.097 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -60.73 -54.26 47.44 Favored 'General case' 0 CA--C 1.509 -0.619 0 CA-C-O 121.684 0.754 . . . . 0.0 109.944 178.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.621 ' HZ1' ' CG ' ' A' ' 52' ' ' ASP . 61.7 mttp -65.82 -42.41 90.63 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-N 114.785 -1.098 . . . . 0.0 111.253 -179.739 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.529 ' CG1' HD11 ' A' ' 77' ' ' LEU . 55.8 t -63.33 -45.13 98.98 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 179.067 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 45.3 ttm -61.05 -48.62 80.91 Favored 'General case' 0 N--CA 1.432 -1.326 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.407 177.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.7 tttm -72.3 -44.68 62.37 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 113.792 1.034 . . . . 0.0 113.792 -177.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -52.06 -18.24 1.35 Allowed 'General case' 0 C--N 1.31 -1.131 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -176.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -80.8 -7.65 59.47 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.102 176.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 65' ' ' GLY . 59.9 m-20 -61.95 -35.79 79.51 Favored 'General case' 0 CA--C 1.509 -0.607 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 175.414 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -59.49 -36.04 75.27 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 176.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.413 ' O ' ' HE3' ' A' ' 30' ' ' LYS . 4.8 m-20 -84.1 9.79 11.72 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.206 174.727 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . -89.0 13.03 64.26 Favored Glycine 0 N--CA 1.452 -0.299 0 N-CA-C 108.377 -1.889 . . . . 0.0 108.377 172.166 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -55.98 -44.33 78.45 Favored 'General case' 0 CA--C 1.509 -0.615 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 -179.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -140.74 -69.48 0.04 OUTLIER Glycine 0 C--N 1.312 -0.773 0 N-CA-C 108.737 -1.745 . . . . 0.0 108.737 175.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.499 ' N ' ' CD ' ' A' ' 68' ' ' GLU . 0.5 OUTLIER -143.55 -179.12 6.24 Favored 'General case' 0 C--N 1.314 -0.935 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 175.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.535 ' O ' ' HB3' ' A' ' 28' ' ' LEU . 2.0 p -126.64 136.1 61.79 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.248 0 N-CA-C 106.94 -1.504 . . . . 0.0 106.94 176.053 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.554 ' HB3' ' CE ' ' A' ' 27' ' ' LYS . 1.4 p30 -122.79 -161.63 0.96 Allowed 'General case' 0 CA--C 1.494 -1.181 0 C-N-CA 119.751 -0.779 . . . . 0.0 112.786 -179.216 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -59.0 -44.58 91.7 Favored 'General case' 0 C--N 1.31 -1.121 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 -173.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.457 ' CG ' HG13 ' B' ' 83' ' ' VAL . 36.9 mt-30 -61.09 -44.86 96.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.187 177.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.444 ' HB3' HG21 ' A' ' 69' ' ' VAL . 2.1 mp0 -69.68 -42.07 74.64 Favored 'General case' 0 CA--C 1.548 0.891 0 CA-C-O 121.46 0.648 . . . . 0.0 110.438 176.638 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.51 ' N ' ' O ' ' A' ' 70' ' ' ASP . 31.4 t80 -62.68 -47.89 81.71 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 115.586 -0.734 . . . . 0.0 112.549 -177.049 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 13.2 m -61.7 -42.94 96.22 Favored 'Isoleucine or valine' 0 C--O 1.237 0.415 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -176.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 8.2 p -63.52 -39.3 84.82 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.735 0 C-N-CA 120.099 -0.64 . . . . 0.0 110.358 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.529 HD11 ' CG1' ' A' ' 57' ' ' VAL . 53.5 tp -62.1 -48.04 81.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.948 -178.428 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 9.5 m -68.66 -41.81 82.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 C-N-CA 120.025 -0.67 . . . . 0.0 110.528 177.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.43 -40.0 95.17 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.737 178.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.92 -47.35 83.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.233 0.54 . . . . 0.0 109.647 179.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 97.5 mt -63.59 -40.89 98.09 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.818 175.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 20.9 m -60.08 -50.19 74.67 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.395 -178.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 10.4 p -62.77 -42.65 97.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 C-N-CA 120.367 -0.533 . . . . 0.0 110.315 178.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -58.39 -50.85 72.2 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-O 120.965 0.412 . . . . 0.0 110.149 177.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.91 -46.87 61.76 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.277 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.46 ' O ' ' HB2' ' A' ' 89' ' ' PHE . 9.5 m120 -66.9 -21.72 65.99 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.556 -178.577 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.538 ' HA ' ' CE3' ' A' ' 90' ' ' TRP . 20.7 t-20 -56.52 -38.55 71.98 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 174.552 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -63.8 -38.0 89.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.551 174.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.46 ' HB2' ' O ' ' A' ' 86' ' ' ASN . 7.2 m-85 -57.89 -46.13 85.36 Favored 'General case' 0 CA--C 1.508 -0.656 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.681 179.381 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . 0.538 ' CE3' ' HA ' ' A' ' 87' ' ' ASN . 2.0 m0 . . . . . 0 C--N 1.308 -1.219 0 CA-C-O 121.335 0.588 . . . . 0.0 110.4 -176.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 3.9 m . . . . . 0 C--O 1.247 0.971 0 CA-C-O 121.155 0.502 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . 0.423 ' H ' ' CD ' ' B' ' 3' ' ' GLU . 1.8 mp0 -57.62 -41.04 80.5 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.475 HD11 HG23 ' A' ' 14' ' ' VAL . 1.4 mm? -62.14 -43.51 98.67 Favored 'General case' 0 CA--C 1.503 -0.83 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 178.46 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . 0.436 ' CG ' ' HA ' ' A' ' 41' ' ' LEU . 43.6 mt-10 -62.96 -42.64 99.88 Favored 'General case' 0 N--CA 1.437 -1.078 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 -179.744 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 7.2 m -61.52 -46.31 90.52 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.25 -0.887 . . . . 0.0 109.028 174.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.27 -47.09 84.72 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.796 178.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' MET . . . . . 0.473 ' HG2' ' O ' ' B' ' 4' ' ' LEU . 96.2 mmm -63.61 -40.67 97.52 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.691 179.074 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -62.67 -38.7 91.4 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 119.673 -0.811 . . . . 0.0 109.201 174.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 7.6 m -58.95 -43.17 91.2 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 177.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.492 ' CD2' HD12 ' A' ' 4' ' ' LEU . 97.6 mt -62.41 -42.06 99.15 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 176.42 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.578 HD11 ' CE2' ' B' ' 71' ' ' PHE . 21.2 mm -63.04 -44.61 99.7 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -61.64 -42.67 99.22 Favored 'General case' 0 CA--C 1.503 -0.842 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.883 -177.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 70.1 t -64.87 -44.93 96.21 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.678 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.915 175.297 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -58.06 -47.49 82.99 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 178.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -63.99 -37.6 88.02 Favored 'General case' 0 C--O 1.24 0.59 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.772 176.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . 0.476 ' O ' ' HG2' ' B' ' 21' ' ' LYS . . . -53.62 -34.34 58.14 Favored 'General case' 0 CA--C 1.511 -0.526 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 179.128 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -88.51 -35.6 16.89 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 68.9 m -54.92 -40.05 69.47 Favored 'General case' 0 C--O 1.242 0.672 0 CA-C-O 121.265 0.555 . . . . 0.0 109.666 178.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.62 -38.23 95.95 Favored Glycine 0 N--CA 1.45 -0.43 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 178.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . 0.476 ' HG2' ' O ' ' B' ' 17' ' ' ALA . 15.6 mmtp -64.3 -48.66 74.82 Favored 'General case' 0 C--O 1.238 0.5 0 CA-C-O 121.059 0.457 . . . . 0.0 109.875 -177.549 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.539 ' CD ' ' H ' ' B' ' 29' ' ' SER . 99.1 mt-10 -69.73 -40.38 76.25 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.128 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 113.52 47.89 0.62 Allowed Glycine 0 CA--C 1.516 0.098 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.853 175.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -131.27 149.4 52.58 Favored 'General case' 0 CA--C 1.509 -0.606 0 CA-C-N 116.785 0.292 . . . . 0.0 110.34 176.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 20.7 pttm -61.86 -39.8 93.15 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 177.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.465 ' CG ' ' CE3' ' A' ' 90' ' ' TRP . 1.6 p90 -162.4 93.76 0.86 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.961 171.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 2.2 mmtm -163.64 158.68 20.8 Favored 'General case' 0 CA--C 1.498 -1.054 0 CA-C-N 115.171 -0.922 . . . . 0.0 109.056 172.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.453 HD23 HD21 ' B' ' 33' ' ' LEU . 45.8 tp -126.04 136.6 53.13 Favored 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 172.163 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' SER . . . . . 0.539 ' H ' ' CD ' ' B' ' 22' ' ' GLU . 1.4 m -106.33 167.59 9.72 Favored 'General case' 0 C--N 1.305 -1.34 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 179.182 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.421 ' O ' ' HG3' ' B' ' 34' ' ' LYS . 13.5 mmmm -66.93 -3.28 6.64 Favored 'General case' 0 C--N 1.313 -0.982 0 C-N-CA 120.124 -0.63 . . . . 0.0 111.763 -176.79 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.431 ' HD2' ' HG2' ' B' ' 22' ' ' GLU . 0.5 OUTLIER -81.92 -60.8 2.11 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -178.834 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.474 ' O ' ' N ' ' B' ' 36' ' ' LEU . 58.2 mm-40 -65.76 -35.96 82.21 Favored 'General case' 0 CA--C 1.507 -0.682 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 175.443 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.453 HD21 HD23 ' B' ' 28' ' ' LEU . 2.4 tm? -56.84 -44.4 82.08 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.756 -171.48 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.421 ' HG3' ' O ' ' B' ' 30' ' ' LYS . 46.8 mttp -62.56 -45.61 92.15 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 119.668 -0.813 . . . . 0.0 109.38 -178.48 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -70.04 -42.97 72.2 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 114.789 -1.096 . . . . 0.0 109.99 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.474 ' N ' ' O ' ' B' ' 32' ' ' GLU . 2.5 tp -60.6 -47.53 85.81 Favored 'General case' 0 C--N 1.309 -1.17 0 CA-C-N 115.428 -0.805 . . . . 0.0 111.435 178.518 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -62.78 -45.96 90.2 Favored 'General case' 0 C--N 1.314 -0.946 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.895 -177.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -65.81 -40.12 91.57 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.071 -0.652 . . . . 0.0 110.515 176.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 79.3 m -62.25 -52.32 64.21 Favored 'General case' 0 C--O 1.241 0.625 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.271 -176.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . 0.466 ' HB3' ' HB2' ' A' ' 4' ' ' LEU . 76.2 mm-40 -71.92 -43.93 64.49 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 -178.192 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 10.7 mp -95.43 40.23 1.11 Allowed 'General case' 0 C--N 1.308 -1.207 0 CA-C-O 121.056 0.455 . . . . 0.0 111.008 -178.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 55.8 m -52.58 -42.01 64.13 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.479 179.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.78 -47.07 57.92 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.562 -0.615 . . . . 0.0 111.562 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . 0.576 ' HA ' ' SD ' ' B' ' 85' ' ' MET . 77.2 m-85 -68.26 -40.65 81.83 Favored 'General case' 0 CA--C 1.499 -0.982 0 CA-C-O 121.323 0.582 . . . . 0.0 110.226 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 6.6 tp -60.23 -48.61 81.01 Favored 'General case' 0 N--CA 1.435 -1.205 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.255 -178.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -67.39 -38.29 84.45 Favored 'General case' 0 C--N 1.309 -1.18 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -178.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . 0.596 ' CB ' ' SD ' ' B' ' 85' ' ' MET . . . -65.16 -41.51 94.61 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.557 0.577 . . . . 0.0 112.557 -176.022 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.497 ' HB2' ' HB ' ' B' ' 51' ' ' VAL . 0.7 OUTLIER -117.49 48.56 1.33 Allowed 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 121.167 0.508 . . . . 0.0 111.951 -177.384 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 15.6 mtpt -64.65 -43.58 93.17 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.194 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 41.5 p-10 -91.93 -1.81 57.1 Favored 'General case' 0 CA--C 1.509 -0.604 0 CA-C-N 114.992 -1.004 . . . . 0.0 111.255 -174.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . 0.497 ' HB ' ' HB2' ' B' ' 48' ' ' GLN . 86.5 t -76.92 136.83 23.69 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.109 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.111 -179.42 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -58.71 -42.01 87.64 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.328 -177.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -49.74 -40.9 42.46 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.729 -0.669 . . . . 0.0 112.232 -174.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . 0.428 HG13 ' O ' ' B' ' 51' ' ' VAL . 11.7 p -60.56 -42.79 92.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 C-N-CA 120.077 -0.649 . . . . 0.0 110.288 -177.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -60.85 -46.55 90.13 Favored 'General case' 0 CA--C 1.5 -0.971 0 CA-C-O 121.377 0.608 . . . . 0.0 109.785 176.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 14.9 mmtp -63.52 -43.55 96.85 Favored 'General case' 0 N--CA 1.44 -0.975 0 CA-C-N 115.182 -0.917 . . . . 0.0 109.292 -174.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . 0.452 HG13 ' CD1' ' B' ' 77' ' ' LEU . 66.7 t -65.96 -43.14 92.86 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.451 174.608 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 34.6 mmm -59.88 -46.02 90.64 Favored 'General case' 0 CA--C 1.506 -0.737 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . 0.483 ' HA ' ' HB2' ' B' ' 62' ' ' ASP . 0.0 OUTLIER -65.35 -42.44 92.82 Favored 'General case' 0 N--CA 1.429 -1.498 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.942 176.509 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -60.2 -41.54 93.17 Favored 'General case' 0 C--N 1.313 -0.997 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.464 ' HG ' ' CD1' ' B' ' 77' ' ' LEU . 3.1 mm? -65.27 -33.86 76.97 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.473 170.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.483 ' HB2' ' HA ' ' B' ' 59' ' ' LYS . 32.7 m-20 -63.04 -38.1 89.84 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 175.637 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . 0.485 ' C ' ' H ' ' B' ' 65' ' ' GLY . 78.9 mm-40 -62.72 -44.39 96.34 Favored 'General case' 0 CA--C 1.511 -0.54 0 N-CA-C 106.963 -1.495 . . . . 0.0 106.963 176.255 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.5 HD22 ' CD ' ' B' ' 73' ' ' GLU . 21.6 t-20 -82.05 36.07 0.45 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.937 -1.029 . . . . 0.0 108.672 171.507 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . 0.485 ' H ' ' C ' ' B' ' 63' ' ' GLU . . . -107.94 20.99 30.44 Favored Glycine 0 CA--C 1.496 -1.147 0 N-CA-C 109.843 -1.303 . . . . 0.0 109.843 -177.583 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -60.53 -43.11 97.53 Favored 'General case' 0 N--CA 1.441 -0.876 0 CA-C-N 115.447 -0.376 . . . . 0.0 110.178 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -171.9 -83.46 0.05 OUTLIER Glycine 0 C--N 1.317 -0.489 0 C-N-CA 120.807 -0.711 . . . . 0.0 111.508 177.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -91.21 152.25 20.61 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.363 -0.418 . . . . 0.0 110.524 -176.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.403 ' N ' ' O ' ' B' ' 28' ' ' LEU . 1.5 p -127.46 128.0 69.44 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 173.006 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.436 ' CG ' ' N ' ' B' ' 71' ' ' PHE . 0.0 OUTLIER -94.6 -176.78 4.01 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 120.566 -0.453 . . . . 0.0 111.47 -174.697 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.578 ' CE2' HD11 ' B' ' 12' ' ' ILE . 63.3 t80 -61.37 -45.37 94.66 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.145 -177.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -61.96 -41.55 98.13 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.171 177.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.5 ' CD ' HD22 ' B' ' 64' ' ' ASN . 70.2 mt-10 -67.24 -41.14 86.14 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-O 121.369 0.604 . . . . 0.0 109.88 176.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 37.1 t80 -61.83 -48.42 80.65 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.385 178.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 33.8 m -63.5 -39.58 85.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 C-N-CA 119.992 -0.683 . . . . 0.0 112.156 -175.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 8.6 p -64.13 -36.73 77.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.81 -178.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . 0.464 ' CD1' ' HG ' ' B' ' 61' ' ' LEU . 50.0 tp -60.9 -49.12 78.77 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.555 178.193 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 18.9 m -69.72 -41.22 79.95 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 C-N-CA 120.151 -0.62 . . . . 0.0 110.549 177.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . 0.401 ' O ' HG12 ' B' ' 83' ' ' VAL . . . -61.4 -49.46 76.81 Favored 'General case' 0 CA--C 1.508 -0.669 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.524 179.276 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.08 -46.8 84.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.112 0.482 . . . . 0.0 110.007 -178.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 98.2 mt -63.37 -41.99 98.84 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.831 176.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.41 ' O ' ' HB2' ' B' ' 86' ' ' ASN . 94.6 m -61.08 -51.34 69.57 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.808 -179.249 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . 0.457 HG13 ' CG ' ' A' ' 72' ' ' GLN . 9.8 p -64.17 -42.43 95.52 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.507 0 C-N-CA 120.893 -0.323 . . . . 0.0 111.011 178.519 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -51.51 -53.72 34.67 Favored 'General case' 0 CA--C 1.505 -0.755 0 C-N-CA 120.314 -0.555 . . . . 0.0 109.528 -177.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 85' ' ' MET . . . . . 0.596 ' SD ' ' CB ' ' B' ' 47' ' ' ALA . 34.2 ttp -70.59 -45.82 64.59 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.241 177.383 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . 0.41 ' HB2' ' O ' ' B' ' 82' ' ' THR . 4.1 t-20 -61.52 -35.59 78.14 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.732 -175.712 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' B' ' 83' ' ' VAL . 1.2 t-20 -57.68 -39.85 78.09 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 176.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -63.56 -36.99 85.62 Favored 'General case' 0 C--O 1.215 -0.719 0 C-N-CA 120.284 -0.566 . . . . 0.0 109.683 173.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 . . . . . 0 N--CA 1.467 0.423 0 C-N-CA 120.818 -0.353 . . . . 0.0 111.062 176.257 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 4' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--O 1.241 0.658 0 CA-C-O 120.513 0.196 . . . . 0.0 110.958 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.446 ' CD ' ' H ' ' A' ' 3' ' ' GLU . 50.2 mp0 -41.87 -22.4 0.02 OUTLIER 'General case' 0 C--O 1.225 -0.188 0 C-N-CA 123.212 0.605 . . . . 0.0 111.154 179.589 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 2' ' ' SER . 4.2 mm? -59.94 -43.97 94.64 Favored 'General case' 0 N--CA 1.444 -0.731 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 -178.503 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -67.25 -43.54 81.68 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.151 -0.62 . . . . 0.0 111.116 178.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.7 m -60.2 -45.84 91.79 Favored 'General case' 0 C--O 1.244 0.777 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 176.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.43 -50.05 74.26 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 109.823 177.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.505 ' SD ' HD13 ' B' ' 11' ' ' LEU . 94.5 mmm -64.98 -42.7 94.3 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.469 -0.492 . . . . 0.0 110.689 177.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -63.45 -36.67 84.53 Favored 'General case' 0 CA--C 1.51 -0.587 0 C-N-CA 120.108 -0.637 . . . . 0.0 110.983 178.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 18.9 m -58.4 -45.03 89.18 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 175.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.572 HD11 ' SD ' ' B' ' 8' ' ' MET . 82.0 mt -62.59 -41.82 99.2 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.11 174.451 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.463 HG21 ' ND2' ' B' ' 86' ' ' ASN . 18.8 mm -62.54 -44.33 99.23 Favored 'Isoleucine or valine' 0 C--O 1.239 0.549 0 CA-C-O 120.962 0.41 . . . . 0.0 109.974 -179.171 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 63.6 m-20 -61.55 -44.31 97.27 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.406 -175.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 92.2 t -63.76 -45.41 97.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 176.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -59.31 -48.06 83.06 Favored 'General case' 0 C--O 1.24 0.561 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.123 178.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -65.66 -39.94 91.89 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.733 176.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.87 -40.88 90.16 Favored 'General case' 0 CA--C 1.515 -0.371 0 C-N-CA 120.446 -0.501 . . . . 0.0 110.221 179.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 53.6 m-70 -82.44 -14.71 54.65 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.876 177.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.411 ' O ' ' N ' ' A' ' 23' ' ' GLY . 62.3 m -58.43 -37.75 76.04 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 120.012 -0.675 . . . . 0.0 110.001 178.031 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -56.48 -20.27 29.83 Favored Glycine 0 CA--C 1.523 0.557 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.693 178.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.6 mmtp -62.24 -43.01 99.79 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 122.789 -0.242 . . . . 0.0 110.74 -176.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -162.68 -3.13 0.04 OUTLIER 'General case' 0 C--O 1.22 -0.451 0 CA-C-N 116.64 -0.255 . . . . 0.0 111.177 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 19' ' ' SER . . . -60.23 143.42 47.51 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.725 -0.55 . . . . 0.0 111.725 -173.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -60.07 -48.98 79.46 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-O 121.346 0.593 . . . . 0.0 109.764 178.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.402 ' C ' ' CD1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -140.92 -72.75 0.35 Allowed 'General case' 0 CA--C 1.492 -1.275 0 N-CA-C 107.182 -1.414 . . . . 0.0 107.182 171.823 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.402 ' CD1' ' C ' ' A' ' 25' ' ' LYS . 0.2 OUTLIER -123.56 91.63 3.51 Favored 'General case' 0 N--CA 1.427 -1.604 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 172.79 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.4 mmmm -158.3 156.54 30.8 Favored 'General case' 0 CA--C 1.498 -1.02 0 N-CA-C 107.125 -1.435 . . . . 0.0 107.125 178.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.64 ' O ' ' N ' ' A' ' 69' ' ' VAL . 44.8 tp -124.53 133.51 53.29 Favored 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 179.304 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.0 p -81.41 158.44 24.61 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 119.523 -0.871 . . . . 0.0 110.125 176.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.551 ' CD ' ' HB ' ' A' ' 69' ' ' VAL . 4.0 mmtm -69.68 -6.95 35.02 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 119.477 -0.889 . . . . 0.0 111.713 -175.566 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 40.0 mttt -66.26 -51.29 58.99 Favored 'General case' 0 CA--C 1.497 -1.092 0 N-CA-C 107.522 -1.288 . . . . 0.0 107.522 179.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -70.88 -33.33 70.49 Favored 'General case' 0 N--CA 1.432 -1.367 0 CA-C-N 113.454 -1.703 . . . . 0.0 110.142 178.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.429 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . 3.1 tm? -58.26 -51.26 70.49 Favored 'General case' 0 N--CA 1.445 -0.725 0 C-N-CA 120.277 -0.569 . . . . 0.0 109.626 -173.651 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.464 ' HZ2' ' CG ' ' A' ' 62' ' ' ASP . 98.6 mttt -68.91 -42.47 76.83 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.858 174.543 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -69.35 -42.64 75.0 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.008 -0.542 . . . . 0.0 112.108 -175.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.443 ' HG ' ' N ' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -80.14 -39.76 28.78 Favored 'General case' 0 C--O 1.239 0.524 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -178.199 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.443 ' N ' ' HG ' ' A' ' 36' ' ' LEU . 2.9 tm? -61.41 -44.55 96.95 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.521 -0.472 . . . . 0.0 110.666 -175.619 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.411 ' HG3' ' N ' ' A' ' 39' ' ' THR . 8.7 pt20 -59.2 -42.13 90.19 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.294 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.411 ' N ' ' HG3' ' A' ' 38' ' ' GLN . 0.1 OUTLIER -64.74 -53.06 53.05 Favored 'General case' 0 N--CA 1.432 -1.337 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.454 -178.524 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.48 ' CD ' ' HG ' ' B' ' 2' ' ' SER . 70.1 mm-40 -70.65 -39.44 73.64 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-N 115.697 -0.683 . . . . 0.0 112.634 -171.689 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.9 mp -108.48 36.48 2.81 Favored 'General case' 0 C--O 1.242 0.675 0 CA-C-O 121.037 0.446 . . . . 0.0 109.973 -178.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.23 -34.86 72.7 Favored 'General case' 0 C--N 1.309 -1.172 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.599 -176.325 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.73 -47.07 79.57 Favored Glycine 0 C--O 1.241 0.563 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 178.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.475 ' O ' ' HG3' ' A' ' 48' ' ' GLN . 20.8 m-85 -69.29 -44.78 71.11 Favored 'General case' 0 CA--C 1.486 -1.492 0 CA-C-O 121.286 0.565 . . . . 0.0 109.503 176.472 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.491 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 49.1 tp -60.11 -46.45 89.56 Favored 'General case' 0 N--CA 1.423 -1.822 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.262 -178.695 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.429 ' HA ' ' HE3' ' A' ' 49' ' ' LYS . 22.1 t70 -63.96 -36.25 83.35 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 175.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.88 -39.49 94.32 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.71 178.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.51 HE21 ' C ' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -117.66 39.08 3.42 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 114.142 1.164 . . . . 0.0 114.142 -177.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.491 ' HG3' ' O ' ' A' ' 45' ' ' LEU . 78.7 mttt -64.05 -38.05 89.68 Favored 'General case' 0 C--N 1.316 -0.88 0 C-N-CA 120.303 -0.559 . . . . 0.0 110.021 173.073 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -89.09 12.03 16.81 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.91 -175.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 77.7 t -98.31 132.8 42.62 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 -179.046 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.513 ' CG ' ' HZ1' ' A' ' 56' ' ' LYS . 25.7 t70 -53.14 -44.19 67.56 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.05 0.452 . . . . 0.0 111.323 -176.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.17 -24.29 40.47 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 115.641 -0.708 . . . . 0.0 111.539 -177.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.47 ' O ' ' HG3' ' A' ' 58' ' ' MET . 1.3 p -58.87 -47.15 90.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 C-N-CA 119.726 -0.79 . . . . 0.0 110.581 -178.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.404 ' N ' ' CG1' ' A' ' 54' ' ' VAL . 34.1 t70 -71.07 -46.81 61.24 Favored 'General case' 0 CA--C 1.509 -0.6 0 CA-C-O 121.155 0.502 . . . . 0.0 111.686 178.572 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.513 ' HZ1' ' CG ' ' A' ' 52' ' ' ASP . 0.1 OUTLIER -60.79 -41.7 96.09 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.279 -174.106 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.441 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 89.6 t -60.99 -46.64 96.26 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.052 0 C-N-CA 119.663 -0.815 . . . . 0.0 109.67 -177.66 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.546 ' O ' ' N ' ' A' ' 62' ' ' ASP . 2.5 mtm -64.12 -39.21 93.55 Favored 'General case' 0 CA--C 1.505 -0.759 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 175.693 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.2 tppp? -60.81 -43.81 97.69 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.881 -175.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -61.77 -43.02 99.68 Favored 'General case' 0 C--O 1.248 0.996 0 N-CA-C 108.882 -0.785 . . . . 0.0 108.882 174.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.528 ' O ' ' N ' ' A' ' 65' ' ' GLY . 88.8 mt -64.39 -41.11 96.85 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.751 177.677 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.546 ' N ' ' O ' ' A' ' 58' ' ' MET . 59.0 m-20 -65.08 -38.37 90.54 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.74 -177.31 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -66.23 -36.47 83.11 Favored 'General case' 0 CA--C 1.52 -0.205 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 175.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.476 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . 3.9 m-20 -85.87 12.13 9.86 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 114.739 -1.119 . . . . 0.0 108.623 168.213 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.528 ' N ' ' O ' ' A' ' 61' ' ' LEU . . . -94.53 39.62 2.87 Favored Glycine 0 CA--C 1.496 -1.139 0 N-CA-C 110.688 -0.965 . . . . 0.0 110.688 -176.371 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -61.42 -37.83 84.93 Favored 'General case' 0 N--CA 1.44 -0.94 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 178.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -170.79 -57.44 0.04 OUTLIER Glycine 0 CA--C 1.525 0.67 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.334 176.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.441 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . 58.6 mt-10 -91.46 156.03 18.01 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 -176.328 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.64 ' N ' ' O ' ' A' ' 28' ' ' LEU . 2.1 p -129.04 127.61 66.17 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.113 0 N-CA-C 106.47 -1.678 . . . . 0.0 106.47 163.284 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.573 ' CG ' ' H ' ' A' ' 71' ' ' PHE . 12.1 t70 -92.97 176.44 6.42 Favored 'General case' 0 C--N 1.308 -1.223 0 C-N-CA 120.22 -0.592 . . . . 0.0 109.718 -179.266 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.573 ' H ' ' CG ' ' A' ' 70' ' ' ASP . 49.0 t80 -59.06 -41.22 87.4 Favored 'General case' 0 C--N 1.308 -1.212 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 179.013 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.408 ' O ' HG21 ' A' ' 75' ' ' VAL . 43.1 mt-30 -55.87 -44.55 78.21 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.813 -1.085 . . . . 0.0 110.43 177.584 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.452 ' CB ' HG21 ' A' ' 69' ' ' VAL . 77.7 mt-10 -69.99 -40.68 75.18 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 121.494 0.664 . . . . 0.0 109.766 175.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -61.73 -48.03 82.56 Favored 'General case' 0 C--O 1.242 0.674 0 CA-C-N 115.568 -0.742 . . . . 0.0 112.021 -177.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.408 HG21 ' O ' ' A' ' 72' ' ' GLN . 14.1 m -62.83 -41.61 93.19 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 C-N-CA 120.242 -0.583 . . . . 0.0 111.899 -177.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 14.6 p -64.94 -38.32 82.47 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.64 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.686 179.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.439 ' CD2' ' HG ' ' A' ' 37' ' ' LEU . 49.0 tp -60.8 -49.04 79.08 Favored 'General case' 0 CA--C 1.507 -0.674 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.604 179.502 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 24.3 m -68.26 -43.91 84.3 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 C-N-CA 120.006 -0.678 . . . . 0.0 110.476 177.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.6 -46.66 87.27 Favored 'General case' 0 CA--C 1.51 -0.56 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.932 -178.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.09 -47.88 81.86 Favored 'General case' 0 CA--C 1.509 -0.603 0 CA-C-O 121.092 0.472 . . . . 0.0 110.156 -177.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 93.8 mt -63.17 -41.99 99.33 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.67 177.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.447 HG22 ' OD1' ' A' ' 86' ' ' ASN . 20.2 m -63.35 -52.6 61.1 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.001 179.063 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.434 HG22 ' ND2' ' A' ' 87' ' ' ASN . 11.3 p -63.57 -41.46 92.72 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.62 0 C-N-CA 120.351 -0.54 . . . . 0.0 110.371 -179.03 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -49.78 -59.56 3.72 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.942 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' MET . . . . . 0.543 ' O ' ' N ' ' A' ' 89' ' ' PHE . 89.9 mmm -66.94 -42.96 84.41 Favored 'General case' 0 CA--C 1.501 -0.938 0 N-CA-C 113.449 0.907 . . . . 0.0 113.449 175.509 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.447 ' OD1' HG22 ' A' ' 82' ' ' THR . 10.0 m120 -63.01 -44.69 95.27 Favored 'General case' 0 C--N 1.314 -0.935 0 C-N-CA 119.023 -1.071 . . . . 0.0 111.734 -175.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.434 ' ND2' HG22 ' A' ' 83' ' ' VAL . 90.1 m-20 -66.38 -41.88 88.76 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.328 0.585 . . . . 0.0 110.205 175.564 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -61.56 -43.42 98.89 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.669 176.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.543 ' N ' ' O ' ' A' ' 85' ' ' MET . 0.5 OUTLIER -46.59 -45.98 19.25 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.963 -173.205 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . 0.541 ' NE1' ' CE1' ' B' ' 16' ' ' HIS . 43.4 m95 . . . . . 0 C--N 1.318 -0.772 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 -178.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 2' ' ' SER . . . . . 0.48 ' HG ' ' CD ' ' A' ' 40' ' ' GLU . 17.0 m . . . . . 0 N--CA 1.443 -0.785 0 CA-C-O 120.904 0.383 . . . . 0.0 110.376 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -47.32 -26.44 1.26 Allowed 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 174.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.473 ' O ' ' HG2' ' B' ' 8' ' ' MET . 58.0 mt -62.11 -42.84 99.63 Favored 'General case' 0 N--CA 1.435 -1.213 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.277 -179.389 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -63.0 -43.16 99.54 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 119.871 -0.732 . . . . 0.0 109.09 176.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' THR . . . . . 0.424 ' O ' ' N ' ' B' ' 10' ' ' THR . 7.2 m -62.05 -46.91 87.07 Favored 'General case' 0 C--O 1.246 0.884 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.885 176.208 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.51 -47.68 83.32 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.96 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' MET . . . . . 0.572 ' SD ' HD11 ' A' ' 11' ' ' LEU . 88.7 mmm -63.63 -41.63 98.24 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.553 179.015 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -65.41 -37.26 86.4 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 119.872 -0.731 . . . . 0.0 110.274 175.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' THR . . . . . 0.424 ' N ' ' O ' ' B' ' 6' ' ' THR . 14.3 m -59.48 -44.21 93.1 Favored 'General case' 0 C--O 1.238 0.467 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 176.26 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.505 HD13 ' SD ' ' A' ' 8' ' ' MET . 85.2 mt -61.91 -41.84 98.38 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.417 176.107 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 19.3 mm -62.52 -43.32 98.26 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.686 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 177.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -59.62 -44.09 93.58 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 -176.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 94.8 t -62.73 -48.76 86.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.615 175.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -60.89 -49.31 77.97 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.174 -179.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.599 ' CE1' ' HB3' ' B' ' 26' ' ' TYR . 1.9 m-70 -66.24 -38.79 88.71 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.309 178.762 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.17 -47.59 82.93 Favored 'General case' 0 CA--C 1.517 -0.322 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 176.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 77.7 m-70 -70.57 -31.56 68.63 Favored 'General case' 0 C--O 1.218 -0.586 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.32 175.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.428 ' HA ' ' O ' ' B' ' 27' ' ' LYS . 24.2 m -52.93 -40.94 64.01 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 119.834 -0.746 . . . . 0.0 109.58 179.353 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -54.09 -24.41 28.11 Favored Glycine 0 CA--C 1.521 0.425 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 178.004 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 12.6 mmtp -62.47 -43.32 99.1 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 -178.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -165.88 -68.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.124 0.487 . . . . 0.0 110.793 -175.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -34.58 89.71 0.01 OUTLIER Glycine 0 CA--C 1.522 0.509 0 CA-C-N 114.749 -1.114 . . . . 0.0 113.591 -171.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . 0.645 ' CG ' ' H ' ' B' ' 25' ' ' LYS . 41.8 t0 36.03 -158.83 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.409 0.684 . . . . 0.0 111.851 175.703 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.645 ' H ' ' CG ' ' B' ' 24' ' ' ASP . 27.5 pttt -62.91 -46.36 88.16 Favored 'General case' 0 CA--C 1.505 -0.775 0 C-N-CA 119.827 -0.749 . . . . 0.0 109.822 178.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.599 ' HB3' ' CE1' ' B' ' 16' ' ' HIS . 0.2 OUTLIER -145.47 93.6 2.39 Favored 'General case' 0 N--CA 1.441 -0.877 0 CA-C-N 115.606 -0.724 . . . . 0.0 111.181 170.117 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.428 ' O ' ' HA ' ' B' ' 19' ' ' SER . 5.3 mmmm -155.36 167.55 30.01 Favored 'General case' 0 C--N 1.309 -1.179 0 N-CA-C 106.95 -1.5 . . . . 0.0 106.95 175.276 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.493 ' HB3' HG11 ' B' ' 69' ' ' VAL . 48.8 tp -122.57 128.9 51.32 Favored 'General case' 0 C--N 1.307 -1.266 0 C-N-CA 119.788 -0.765 . . . . 0.0 110.377 -178.567 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 8.3 p -81.99 159.57 23.5 Favored 'General case' 0 C--O 1.238 0.492 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 176.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.563 ' NZ ' ' O ' ' B' ' 61' ' ' LEU . 10.3 mmmm -71.73 -7.61 49.17 Favored 'General case' 0 C--N 1.317 -0.821 0 C-N-CA 119.896 -0.722 . . . . 0.0 109.733 -176.775 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 69.2 mttt -68.83 -57.26 5.81 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 122.337 1.065 . . . . 0.0 108.95 -178.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -71.66 -36.95 70.84 Favored 'General case' 0 N--CA 1.422 -1.834 0 CA-C-N 113.362 -1.744 . . . . 0.0 110.153 -178.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -58.57 -46.07 87.68 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.147 -174.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.429 ' HZ2' ' CG ' ' B' ' 62' ' ' ASP . 68.4 mttm -64.17 -43.36 95.4 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 119.759 -0.776 . . . . 0.0 110.108 178.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -70.05 -49.91 46.48 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.063 -178.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.438 ' HG ' ' N ' ' B' ' 37' ' ' LEU . 0.1 OUTLIER -64.08 -43.06 96.59 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 112.497 0.554 . . . . 0.0 112.497 -179.414 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.438 ' N ' ' HG ' ' B' ' 36' ' ' LEU . 2.5 tm? -61.78 -45.43 93.92 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.257 -0.577 . . . . 0.0 110.24 -177.059 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.408 ' HG2' ' O ' ' B' ' 34' ' ' LYS . 27.8 pt20 -68.49 -39.39 81.35 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 120.161 -0.616 . . . . 0.0 110.995 175.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 97.6 m -62.15 -49.6 75.21 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.212 -177.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -82.63 -42.3 18.37 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.603 0.594 . . . . 0.0 112.603 -170.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 11.0 mp -88.18 44.08 1.17 Allowed 'General case' 0 CA--C 1.514 -0.427 0 CA-C-O 121.045 0.45 . . . . 0.0 110.517 -178.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -55.69 -39.04 70.45 Favored 'General case' 0 C--N 1.308 -1.236 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.687 -176.286 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.42 -49.58 43.98 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.565 -0.614 . . . . 0.0 111.565 179.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . 0.48 ' O ' ' HG3' ' B' ' 48' ' ' GLN . 60.8 m-85 -68.1 -40.51 82.57 Favored 'General case' 0 CA--C 1.499 -1.017 0 CA-C-O 121.17 0.51 . . . . 0.0 110.11 177.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 19.4 tp -57.86 -48.24 80.39 Favored 'General case' 0 CA--C 1.498 -1.044 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.342 176.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.563 ' HA ' ' NZ ' ' B' ' 49' ' ' LYS . 32.8 t70 -70.65 -34.21 71.8 Favored 'General case' 0 C--N 1.301 -1.53 0 C-N-CA 120.225 -0.59 . . . . 0.0 111.76 176.496 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . 0.415 ' HB1' ' SD ' ' B' ' 85' ' ' MET . . . -62.9 -38.32 90.46 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.439 -179.332 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.48 ' HG3' ' O ' ' B' ' 44' ' ' PHE . 0.0 OUTLIER -119.86 55.71 0.97 Allowed 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 -177.944 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.563 ' NZ ' ' HA ' ' B' ' 46' ' ' ASP . 39.2 mttp -66.61 -43.36 85.02 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.113 -0.635 . . . . 0.0 111.436 171.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 39.1 p-10 -94.07 4.22 54.2 Favored 'General case' 0 CA--C 1.509 -0.619 0 CA-C-N 115.432 -0.804 . . . . 0.0 112.369 -171.114 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . 0.462 ' O ' HG12 ' B' ' 54' ' ' VAL . 16.5 t -85.14 122.04 37.76 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.89 0 C-N-CA 119.862 -0.735 . . . . 0.0 109.096 177.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -59.17 -35.06 72.87 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-O 121.334 0.588 . . . . 0.0 110.237 -177.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.75 -28.79 51.14 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.197 -0.91 . . . . 0.0 111.816 -177.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . 0.462 HG12 ' O ' ' B' ' 51' ' ' VAL . 8.5 p -59.63 -46.84 92.84 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 C-N-CA 119.307 -0.957 . . . . 0.0 109.961 -178.379 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.571 ' O ' ' N ' ' B' ' 59' ' ' LYS . 10.6 t70 -59.38 -49.71 76.76 Favored 'General case' 0 CA--C 1.5 -0.973 0 C-N-CA 120.641 -0.424 . . . . 0.0 110.612 176.128 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . 0.426 ' HD2' ' N ' ' B' ' 56' ' ' LYS . 3.6 mptp? -63.5 -42.77 98.49 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-N 115.483 -0.78 . . . . 0.0 112.316 -174.713 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 64.4 t -63.44 -44.16 98.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 174.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' MET . . . . . 0.435 ' CG ' ' O ' ' B' ' 54' ' ' VAL . 11.0 mmm -62.53 -40.11 95.74 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.44 176.109 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . 0.571 ' N ' ' O ' ' B' ' 55' ' ' ASP . 2.5 tppm? -62.19 -42.0 98.87 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.401 -175.693 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -64.81 -37.38 87.41 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.193 176.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.563 ' O ' ' NZ ' ' B' ' 30' ' ' LYS . 1.3 mm? -62.26 -39.34 92.59 Favored 'General case' 0 C--N 1.309 -1.163 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 171.702 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.429 ' CG ' ' HZ2' ' B' ' 34' ' ' LYS . 56.0 m-20 -62.17 -38.02 87.48 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.907 174.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . 0.573 ' C ' ' H ' ' B' ' 65' ' ' GLY . 45.6 mt-10 -60.93 -40.4 93.1 Favored 'General case' 0 CA--C 1.501 -0.914 0 N-CA-C 107.872 -1.159 . . . . 0.0 107.872 175.297 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.541 HD22 ' CD ' ' B' ' 73' ' ' GLU . 9.3 t-20 -74.79 37.14 0.11 Allowed 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 114.789 -1.096 . . . . 0.0 109.684 171.73 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . 0.573 ' H ' ' C ' ' B' ' 63' ' ' GLU . . . -105.82 19.17 39.09 Favored Glycine 0 CA--C 1.509 -0.341 0 N-CA-C 108.695 -1.762 . . . . 0.0 108.695 178.136 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -61.9 -37.76 85.82 Favored 'General case' 0 CA--C 1.512 -0.497 0 CA-C-N 115.117 -0.542 . . . . 0.0 109.977 -179.189 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -156.76 -65.14 0.01 OUTLIER Glycine 0 C--N 1.317 -0.502 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.437 179.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 79.6 mt-10 -138.71 165.53 26.73 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 122.897 0.479 . . . . 0.0 109.736 -175.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.493 HG11 ' HB3' ' B' ' 28' ' ' LEU . 2.2 p -118.56 131.28 71.81 Favored 'Isoleucine or valine' 0 C--O 1.241 0.634 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 173.239 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.421 ' CG ' ' N ' ' B' ' 71' ' ' PHE . 0.0 OUTLIER -92.45 175.93 6.65 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.773 0.32 . . . . 0.0 111.099 -174.188 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.421 ' N ' ' CG ' ' B' ' 70' ' ' ASP . 54.8 t80 -61.98 -46.17 90.41 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.003 0.43 . . . . 0.0 110.572 -178.342 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -60.62 -40.06 90.52 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.042 177.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.541 ' CD ' HD22 ' B' ' 64' ' ' ASN . 95.6 mt-10 -67.3 -42.33 83.91 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.057 174.053 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -62.42 -49.32 75.93 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.424 0.528 . . . . 0.0 112.424 177.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 34.6 m -64.83 -38.28 82.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 C-N-CA 119.669 -0.813 . . . . 0.0 112.318 -176.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 13.0 p -64.0 -36.69 77.64 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 C-N-CA 119.71 -0.796 . . . . 0.0 110.347 -178.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 49.6 tp -60.19 -49.11 78.91 Favored 'General case' 0 CA--C 1.507 -0.675 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.38 179.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 14.1 m -69.63 -43.24 80.44 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.048 0 C-N-CA 120.148 -0.621 . . . . 0.0 110.397 176.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.01 -48.55 81.25 Favored 'General case' 0 CA--C 1.514 -0.416 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.856 -179.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.62 -46.24 84.36 Favored 'General case' 0 CA--C 1.51 -0.584 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -178.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.409 ' O ' ' HB2' ' B' ' 85' ' ' MET . 93.7 mt -64.06 -43.11 96.48 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.512 176.373 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.404 HG21 ' CZ ' ' B' ' 44' ' ' PHE . 21.2 m -62.17 -50.45 71.8 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.571 -178.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 13.6 p -62.22 -46.48 96.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.469 -176.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.83 -51.6 66.41 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.607 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 85' ' ' MET . . . . . 0.415 ' SD ' ' HB1' ' B' ' 47' ' ' ALA . 2.4 tmm? -65.64 -45.82 81.58 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.499 179.702 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . 0.463 ' ND2' HG21 ' A' ' 12' ' ' ILE . 17.5 t30 -66.99 -45.92 76.17 Favored 'General case' 0 CA--C 1.513 -0.466 0 C-N-CA 120.031 -0.668 . . . . 0.0 112.652 -176.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -64.15 -39.76 94.69 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 120.396 -0.521 . . . . 0.0 109.868 -178.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -51.78 -24.43 5.94 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.151 -179.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . 0.405 ' HB2' ' O ' ' B' ' 86' ' ' ASN . 14.0 m-85 . . . . . 0 CA--C 1.511 -0.536 0 C-N-CA 120.678 -0.409 . . . . 0.0 111.856 -179.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 m . . . . . 0 C--O 1.238 0.45 0 CA-C-O 120.908 0.385 . . . . 0.0 110.813 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 7' ' ' ALA . 2.0 mp0 -52.14 -31.49 31.28 Favored 'General case' 0 CA--C 1.511 -0.526 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 -179.529 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.418 ' CD2' HG23 ' B' ' 14' ' ' VAL . 1.4 mm? -61.17 -43.48 98.82 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.166 -177.392 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 -65.44 -43.32 90.79 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 119.477 -0.889 . . . . 0.0 109.709 178.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.469 ' O ' ' N ' ' A' ' 10' ' ' THR . 19.1 m -62.51 -46.66 87.39 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.766 174.357 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 3' ' ' GLU . . . -56.19 -48.93 75.43 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.194 -179.61 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.501 ' SD ' HD11 ' B' ' 11' ' ' LEU . 97.3 mmm -64.47 -41.67 96.37 Favored 'General case' 0 CA--C 1.516 -0.348 0 C-N-CA 120.343 -0.543 . . . . 0.0 110.669 177.489 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -65.53 -34.32 77.99 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.078 -0.649 . . . . 0.0 111.434 176.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.469 ' N ' ' O ' ' A' ' 6' ' ' THR . 11.5 m -57.47 -44.32 84.75 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 176.387 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.468 HD12 ' SD ' ' B' ' 8' ' ' MET . 87.7 mt -62.97 -40.36 97.5 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.663 174.635 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 22.7 mm -62.57 -43.69 98.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 178.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -60.53 -47.28 86.87 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.028 -177.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.464 HG22 ' HA ' ' A' ' 11' ' ' LEU . 28.4 m -66.45 -39.97 85.37 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.668 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.425 176.397 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.426 ' CE1' ' HB2' ' A' ' 28' ' ' LEU . 73.1 t80 -59.13 -47.89 83.62 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.675 176.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 21.5 m-70 -64.66 -40.02 94.7 Favored 'General case' 0 C--O 1.238 0.465 0 C-N-CA 120.57 -0.452 . . . . 0.0 109.896 177.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.51 ' O ' ' NZ ' ' A' ' 21' ' ' LYS . . . -57.37 -50.48 72.84 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.529 179.188 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 83.1 m-70 -72.71 -36.04 67.73 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.866 178.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 70.5 m -57.26 -41.02 78.87 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.347 -0.541 . . . . 0.0 109.787 178.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.75 -5.54 13.76 Favored Glycine 0 CA--C 1.526 0.748 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.081 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.51 ' NZ ' ' O ' ' A' ' 17' ' ' ALA . 48.4 mmtm -95.86 -82.4 0.39 Allowed 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 117.221 0.511 . . . . 0.0 111.604 -177.453 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.413 ' CB ' ' HG ' ' A' ' 29' ' ' SER . 77.4 mm-40 -95.18 -17.17 21.99 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.806 -176.313 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -87.64 -175.04 48.44 Favored Glycine 0 C--N 1.314 -0.642 0 N-CA-C 111.683 -0.567 . . . . 0.0 111.683 -174.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.55 ' CG ' ' H ' ' A' ' 25' ' ' LYS . 51.7 t0 -82.54 -154.9 0.14 Allowed 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 107.478 -1.305 . . . . 0.0 107.478 176.504 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.55 ' H ' ' CG ' ' A' ' 24' ' ' ASP . 0.0 OUTLIER -56.43 -47.57 78.8 Favored 'General case' 0 CA--C 1.503 -0.835 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 175.784 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.483 ' CE2' ' HD3' ' A' ' 25' ' ' LYS . 1.5 p90 -138.85 93.92 2.76 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.386 174.36 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.448 ' NZ ' ' HB3' ' A' ' 70' ' ' ASP . 3.1 mmtt -163.63 157.15 19.01 Favored 'General case' 0 CA--C 1.503 -0.845 0 CA-C-N 114.91 -1.041 . . . . 0.0 109.45 173.148 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.426 ' HB2' ' CE1' ' A' ' 15' ' ' PHE . 33.1 tp -122.75 125.1 44.84 Favored 'General case' 0 N--CA 1.437 -1.079 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 175.738 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.413 ' HG ' ' CB ' ' A' ' 22' ' ' GLU . 11.5 p -83.91 164.76 19.22 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.131 178.782 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.566 ' NZ ' ' OD1' ' A' ' 64' ' ' ASN . 0.4 OUTLIER -70.68 -6.45 37.25 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 120.312 -0.555 . . . . 0.0 110.562 -177.425 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 35.4 mttt -77.86 -60.25 2.45 Favored 'General case' 0 CA--C 1.501 -0.911 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 178.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -61.77 -39.39 91.47 Favored 'General case' 0 N--CA 1.431 -1.398 0 CA-C-N 113.801 -1.545 . . . . 0.0 109.342 179.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -60.02 -47.95 83.71 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.555 -176.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.2 pttp -73.05 -44.5 60.65 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 119.317 -0.953 . . . . 0.0 110.799 178.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -61.52 -54.35 44.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.453 -179.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.426 ' HG ' ' N ' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -64.36 -43.65 93.86 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 178.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.436 ' HG ' ' CD2' ' A' ' 77' ' ' LEU . 3.1 tm? -61.51 -48.51 80.71 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.208 -0.597 . . . . 0.0 111.091 -176.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.479 ' HB2' ' CD2' ' A' ' 45' ' ' LEU . 14.1 pt20 -67.07 -41.13 86.95 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 119.767 -0.773 . . . . 0.0 110.439 178.172 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 98.6 m -63.47 -53.43 52.17 Favored 'General case' 0 N--CA 1.441 -0.903 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.308 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -75.34 -40.94 57.72 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 -173.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 11.2 mp -94.86 31.48 1.83 Allowed 'General case' 0 CA--C 1.505 -0.784 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 179.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.0 -33.81 67.52 Favored 'General case' 0 N--CA 1.434 -1.264 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.267 -177.286 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -63.83 -48.86 72.54 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 176.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.456 ' O ' ' NE2' ' A' ' 48' ' ' GLN . 52.0 m-85 -66.93 -45.52 77.6 Favored 'General case' 0 CA--C 1.492 -1.275 0 CA-C-O 121.687 0.756 . . . . 0.0 109.296 176.647 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.479 ' CD2' ' HB2' ' A' ' 38' ' ' GLN . 47.1 tp -61.47 -48.37 81.43 Favored 'General case' 0 N--CA 1.425 -1.708 0 CA-C-N 114.902 -1.045 . . . . 0.0 111.234 -177.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -63.59 -39.28 93.98 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.924 0.392 . . . . 0.0 110.837 176.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.49 -40.22 95.99 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.839 -0.619 . . . . 0.0 112.297 -176.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.456 ' NE2' ' O ' ' A' ' 44' ' ' PHE . 0.9 OUTLIER -129.58 43.5 3.12 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 114.463 1.283 . . . . 0.0 114.463 -174.831 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.462 ' HA ' HG11 ' A' ' 54' ' ' VAL . 54.1 mtmt -62.96 -40.12 96.74 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 119.271 -0.971 . . . . 0.0 109.496 172.684 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -65.79 -18.33 65.26 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.968 -1.014 . . . . 0.0 111.189 -177.081 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.466 ' C ' ' H ' ' A' ' 53' ' ' ALA . 75.6 t -67.71 -19.12 24.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 120.766 0.317 . . . . 0.0 110.44 -178.725 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 25.4 t70 66.6 -43.66 0.42 Allowed 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.565 -179.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.466 ' H ' ' C ' ' A' ' 51' ' ' VAL . . . -52.64 -28.16 20.25 Favored 'General case' 0 CA--C 1.514 -0.422 0 N-CA-C 110.124 -0.325 . . . . 0.0 110.124 179.659 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.491 ' O ' ' HG2' ' A' ' 58' ' ' MET . 7.4 p -58.46 -46.93 89.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.865 177.757 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.499 ' O ' ' N ' ' A' ' 59' ' ' LYS . 30.8 t70 -61.36 -41.38 96.97 Favored 'General case' 0 CA--C 1.505 -0.785 0 CA-C-O 121.708 0.766 . . . . 0.0 109.099 174.793 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 30.7 mmtp -65.06 -40.91 95.4 Favored 'General case' 0 C--N 1.308 -1.209 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.358 -175.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 55.7 t -61.24 -42.55 93.9 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 173.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.491 ' HG2' ' O ' ' A' ' 54' ' ' VAL . 74.2 mmm -60.39 -39.48 87.44 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 174.166 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 55' ' ' ASP . 47.0 tptt -63.34 -40.77 98.19 Favored 'General case' 0 N--CA 1.441 -0.902 0 CA-C-N 115.285 -0.871 . . . . 0.0 109.728 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -57.13 -40.76 77.79 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 177.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.4 ' HG ' HD22 ' A' ' 77' ' ' LEU . 1.3 mm? -64.72 -38.7 91.9 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.666 171.039 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.465 ' O ' ' N ' ' A' ' 65' ' ' GLY . 19.1 t70 -63.73 -37.4 87.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.486 178.441 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 59' ' ' LYS . 79.9 mm-40 -58.95 -35.94 73.97 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 106.459 -1.682 . . . . 0.0 106.459 175.187 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.566 ' OD1' ' NZ ' ' A' ' 30' ' ' LYS . 14.8 t-20 -84.03 9.9 11.3 Favored 'General case' 0 C--N 1.307 -1.246 0 CA-C-N 113.789 -1.551 . . . . 0.0 109.453 176.759 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . -76.46 -3.36 77.51 Favored Glycine 0 C--O 1.239 0.418 0 N-CA-C 110.658 -0.977 . . . . 0.0 110.658 -178.759 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -61.37 -39.23 89.88 Favored 'General case' 0 CA--C 1.512 -0.485 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -134.57 -136.33 3.63 Favored Glycine 0 C--O 1.241 0.532 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 179.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -108.04 168.76 9.06 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.479 0.657 . . . . 0.0 112.417 -177.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.466 ' CG2' ' HB2' ' A' ' 73' ' ' GLU . 0.2 OUTLIER -120.32 135.69 59.77 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.976 0 CA-C-N 114.887 -1.051 . . . . 0.0 109.449 179.206 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.448 ' HB3' ' NZ ' ' A' ' 27' ' ' LYS . 3.3 p30 -105.48 -162.5 0.88 Allowed 'General case' 0 CA--C 1.502 -0.888 0 C-N-CA 120.036 -0.665 . . . . 0.0 110.132 175.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.48 ' CE2' HG11 ' A' ' 75' ' ' VAL . 46.9 t80 -59.77 -43.72 94.22 Favored 'General case' 0 C--N 1.297 -1.714 0 C-N-CA 120.175 -0.61 . . . . 0.0 109.457 -175.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -60.9 -47.85 84.51 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.143 179.08 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.466 ' HB2' ' CG2' ' A' ' 69' ' ' VAL . 52.1 mp0 -67.64 -36.57 81.02 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 119.003 -1.079 . . . . 0.0 110.054 176.236 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -62.54 -49.2 76.27 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 112.554 0.576 . . . . 0.0 112.554 178.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.48 HG11 ' CE2' ' A' ' 71' ' ' PHE . 24.3 m -64.81 -38.76 83.55 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 -176.162 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 10.0 p -63.22 -36.84 77.65 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.697 0 C-N-CA 120.032 -0.667 . . . . 0.0 110.665 -178.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.436 ' CD2' ' HG ' ' A' ' 37' ' ' LEU . 52.0 tp -61.45 -49.52 76.48 Favored 'General case' 0 CA--C 1.513 -0.453 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.892 179.704 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 11.2 m -68.67 -42.73 83.36 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.864 0 C-N-CA 119.944 -0.702 . . . . 0.0 110.335 178.261 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.552 ' CB ' HG22 ' B' ' 75' ' ' VAL . . . -61.55 -48.23 81.95 Favored 'General case' 0 CA--C 1.507 -0.71 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.567 179.625 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.06 -47.68 77.5 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-O 121.221 0.534 . . . . 0.0 109.6 -178.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 97.8 mt -63.28 -42.58 99.11 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.808 176.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.415 ' O ' ' HB2' ' A' ' 86' ' ' ASN . 19.9 m -63.34 -51.56 65.45 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 120.601 -0.44 . . . . 0.0 110.546 -179.207 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 6.7 p -63.81 -43.66 97.95 Favored 'Isoleucine or valine' 0 C--O 1.237 0.447 0 C-N-CA 120.116 -0.634 . . . . 0.0 111.202 178.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.02 -53.75 54.55 Favored 'General case' 0 N--CA 1.446 -0.639 0 C-N-CA 120.187 -0.605 . . . . 0.0 110.632 178.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' MET . . . . . 0.449 ' O ' ' HB3' ' A' ' 88' ' ' PHE . 18.4 ttp -70.0 -40.63 75.18 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 119.669 -0.812 . . . . 0.0 111.14 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.471 ' CG ' HG23 ' B' ' 12' ' ' ILE . 5.4 t-20 -62.7 -40.84 98.41 Favored 'General case' 0 CA--C 1.512 -0.512 0 C-N-CA 120.222 -0.591 . . . . 0.0 110.781 -177.631 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -59.83 -33.69 72.1 Favored 'General case' 0 CA--C 1.511 -0.528 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.75 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.449 ' HB3' ' O ' ' A' ' 85' ' ' MET . 57.9 t80 -53.52 -45.2 69.68 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.49 177.747 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -59.42 -46.65 88.13 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.009 179.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 37.8 m95 . . . . . 0 C--N 1.311 -1.07 0 CA-C-O 120.623 0.249 . . . . 0.0 111.478 -178.713 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 58.9 m . . . . . 0 N--CA 1.451 -0.416 0 N-CA-C 111.81 0.3 . . . . 0.0 111.81 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . 0.404 ' H ' ' CD ' ' B' ' 3' ' ' GLU . 45.7 mp0 -54.29 -27.23 34.01 Favored 'General case' 0 CA--C 1.51 -0.573 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 175.279 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.427 ' O ' ' HG2' ' B' ' 8' ' ' MET . 95.4 mt -61.13 -40.49 94.02 Favored 'General case' 0 N--CA 1.434 -1.244 0 CA-C-N 114.278 -1.328 . . . . 0.0 109.083 -177.781 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -63.38 -43.45 97.58 Favored 'General case' 0 N--CA 1.443 -0.795 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 177.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 7.6 m -62.5 -46.54 87.96 Favored 'General case' 0 C--O 1.24 0.597 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 175.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.81 -48.73 74.89 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.115 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' MET . . . . . 0.468 ' SD ' HD12 ' A' ' 11' ' ' LEU . 93.7 mmm -64.32 -42.45 96.31 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.918 179.389 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -65.93 -35.08 79.64 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 119.917 -0.713 . . . . 0.0 110.871 176.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 18.8 m -57.7 -44.45 85.87 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 178.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.501 HD11 ' SD ' ' A' ' 8' ' ' MET . 76.8 mt -62.34 -41.84 98.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.431 174.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.487 HD12 ' CD2' ' B' ' 71' ' ' PHE . 16.1 mm -62.8 -44.27 99.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 56.6 m-80 -61.6 -41.89 98.09 Favored 'General case' 0 CA--C 1.51 -0.581 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 -178.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . 0.418 HG23 ' CD2' ' A' ' 4' ' ' LEU . 54.1 t -64.75 -44.56 96.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.883 174.058 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.418 ' CE1' ' HB2' ' B' ' 28' ' ' LEU . 77.1 t80 -58.32 -48.29 80.99 Favored 'General case' 0 N--CA 1.446 -0.648 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 179.249 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.417 ' CD2' ' CG2' ' B' ' 12' ' ' ILE . 46.5 m-70 -60.93 -41.84 97.02 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.601 176.561 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.93 -45.49 71.22 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.025 -178.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -75.46 -36.03 60.77 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.644 176.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 69.8 m -57.37 -41.6 80.5 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 120.39 -0.524 . . . . 0.0 109.631 179.052 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.11 -21.94 54.3 Favored Glycine 0 CA--C 1.527 0.802 0 N-CA-C 111.139 -0.785 . . . . 0.0 111.139 177.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -79.66 -75.81 0.24 Allowed 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 -176.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 53.9 mm-40 -116.58 -3.76 11.78 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 -176.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -90.34 165.03 31.08 Favored Glycine 0 CA--C 1.526 0.757 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.67 -174.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . 0.478 ' H ' ' HB2' ' B' ' 27' ' ' LYS . 24.1 t0 -86.86 122.27 30.5 Favored 'General case' 0 CA--C 1.519 -0.233 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 175.543 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.491 ' HD2' ' CE1' ' B' ' 26' ' ' TYR . 7.2 pttm 35.26 -94.27 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.76 0 O-C-N 123.21 0.319 . . . . 0.0 110.544 -175.406 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.491 ' CE1' ' HD2' ' B' ' 25' ' ' LYS . 2.4 p90 -110.03 92.66 4.13 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 171.618 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.478 ' HB2' ' H ' ' B' ' 24' ' ' ASP . 9.6 mmmm -157.97 159.19 36.21 Favored 'General case' 0 C--N 1.309 -1.163 0 N-CA-C 108.32 -0.992 . . . . 0.0 108.32 176.517 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.457 ' CD2' HD23 ' B' ' 33' ' ' LEU . 43.0 tp -124.49 127.38 47.38 Favored 'General case' 0 C--N 1.307 -1.243 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.005 178.353 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.89 158.4 20.6 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 177.622 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.471 ' NZ ' ' O ' ' B' ' 61' ' ' LEU . 12.2 mmmm -71.31 -8.95 57.09 Favored 'General case' 0 CA--C 1.515 -0.385 0 C-N-CA 119.582 -0.847 . . . . 0.0 109.56 -179.339 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.454 ' O ' ' HG2' ' B' ' 35' ' ' GLU . 58.9 mttt -68.66 -52.47 30.79 Favored 'General case' 0 CA--C 1.498 -1.048 0 N-CA-C 107.489 -1.3 . . . . 0.0 107.489 177.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -73.58 -41.66 62.6 Favored 'General case' 0 N--CA 1.434 -1.225 0 CA-C-N 112.864 -1.971 . . . . 0.0 111.063 -177.34 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.457 HD23 ' CD2' ' B' ' 28' ' ' LEU . 2.7 tm? -59.51 -44.52 93.12 Favored 'General case' 0 CA--C 1.513 -0.478 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.848 -172.737 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.476 ' HG3' ' N ' ' B' ' 35' ' ' GLU . 16.6 pttp -62.45 -45.2 94.13 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 119.143 -1.023 . . . . 0.0 110.199 177.577 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . 0.476 ' N ' ' HG3' ' B' ' 34' ' ' LYS . 66.6 mm-40 -63.81 -47.64 80.02 Favored 'General case' 0 CA--C 1.507 -0.709 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 18.2 tp -59.73 -49.78 76.4 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-N 114.414 -1.266 . . . . 0.0 111.731 178.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -64.34 -47.02 80.97 Favored 'General case' 0 C--N 1.309 -1.186 0 C-N-CA 120.577 -0.449 . . . . 0.0 111.131 -177.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.408 ' HG2' ' O ' ' B' ' 34' ' ' LYS . 12.5 pt20 -69.15 -42.9 75.35 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 119.475 -0.89 . . . . 0.0 110.954 177.06 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.465 ' CB ' ' O ' ' B' ' 35' ' ' GLU . 81.2 m -63.93 -50.89 66.9 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.175 -178.086 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -85.17 -25.17 27.57 Favored 'General case' 0 CA--C 1.516 -0.354 0 N-CA-C 113.523 0.934 . . . . 0.0 113.523 -172.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 7.6 mp -109.89 30.48 6.66 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 120.624 0.25 . . . . 0.0 110.499 176.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 32.5 m -51.44 -39.35 57.19 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.73 0.3 . . . . 0.0 110.398 -177.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -63.98 -49.53 66.83 Favored Glycine 0 N--CA 1.446 -0.674 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 178.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . 0.612 ' HA ' ' SD ' ' B' ' 85' ' ' MET . 45.9 m-85 -64.77 -44.91 88.49 Favored 'General case' 0 CA--C 1.495 -1.156 0 CA-C-O 121.366 0.603 . . . . 0.0 110.294 178.423 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 11.2 tp -61.32 -47.51 85.58 Favored 'General case' 0 C--N 1.306 -1.286 0 CA-C-N 114.969 -1.014 . . . . 0.0 111.498 178.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -71.31 -40.35 70.87 Favored 'General case' 0 C--N 1.305 -1.335 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.314 -178.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . 0.496 ' HB2' ' SD ' ' B' ' 85' ' ' MET . . . -61.22 -41.79 97.47 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.669 -0.412 . . . . 0.0 110.87 -179.069 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.31 42.34 2.99 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 121.088 0.471 . . . . 0.0 111.373 178.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.71 -40.91 96.71 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.755 177.158 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -81.25 -2.91 50.67 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 114.83 -1.077 . . . . 0.0 111.014 -172.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 57.8 t -86.04 131.05 35.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 -179.049 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -57.29 -40.22 77.34 Favored 'General case' 0 CA--C 1.508 -0.666 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.055 -177.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.28 -25.45 9.47 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.139 -178.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . 0.429 ' CG1' ' N ' ' B' ' 55' ' ' ASP . 0.8 OUTLIER -60.15 -47.44 92.01 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 C-N-CA 120.25 -0.58 . . . . 0.0 110.076 179.348 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.563 ' O ' ' N ' ' B' ' 59' ' ' LYS . 32.8 t70 -63.61 -41.4 98.32 Favored 'General case' 0 CA--C 1.499 -0.987 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 174.81 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . 0.424 ' O ' ' HG3' ' B' ' 60' ' ' GLU . 18.6 mmtp -64.38 -44.25 91.92 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.82 -172.737 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . 0.404 HG11 ' CD1' ' B' ' 77' ' ' LEU . 90.0 t -63.56 -42.79 97.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 174.222 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 76.4 mmm -61.8 -40.55 95.61 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.219 -0.901 . . . . 0.0 108.835 177.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . 0.563 ' N ' ' O ' ' B' ' 55' ' ' ASP . 0.0 OUTLIER -63.07 -42.46 99.67 Favored 'General case' 0 N--CA 1.436 -1.175 0 CA-C-N 114.886 -1.052 . . . . 0.0 110.19 -177.867 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . 0.424 ' HG3' ' O ' ' B' ' 56' ' ' LYS . 90.0 mt-10 -56.9 -44.17 82.07 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.471 ' O ' ' NZ ' ' B' ' 30' ' ' LYS . 3.1 mm? -64.05 -38.44 91.09 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.53 170.703 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -62.32 -40.83 97.61 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.336 177.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . 0.495 ' HG2' ' O ' ' B' ' 59' ' ' LYS . 56.1 mm-40 -60.87 -40.73 94.1 Favored 'General case' 0 CA--C 1.513 -0.471 0 N-CA-C 106.632 -1.618 . . . . 0.0 106.632 176.113 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.552 HD21 ' CD ' ' B' ' 73' ' ' GLU . 21.3 t-20 -80.87 35.01 0.36 Allowed 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 114.453 -1.248 . . . . 0.0 109.859 174.502 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . 0.445 ' H ' ' C ' ' B' ' 63' ' ' GLU . . . -96.29 18.32 57.68 Favored Glycine 0 N--CA 1.461 0.327 0 N-CA-C 109.392 -1.483 . . . . 0.0 109.392 178.055 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -61.53 -38.93 89.21 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 123.198 0.599 . . . . 0.0 110.862 -177.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -157.31 -82.49 0.04 OUTLIER Glycine 0 C--N 1.316 -0.533 0 N-CA-C 110.733 -0.947 . . . . 0.0 110.733 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -128.44 167.87 16.42 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 120.972 0.415 . . . . 0.0 110.703 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.429 HG12 ' HB3' ' B' ' 28' ' ' LEU . 0.2 OUTLIER -117.86 132.73 66.82 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.291 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 176.2 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -92.05 177.3 6.21 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.48 -175.238 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.487 ' CD2' HD12 ' B' ' 12' ' ' ILE . 82.4 t80 -60.87 -45.23 95.39 Favored 'General case' 0 C--N 1.32 -0.717 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.613 -178.811 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -60.74 -40.64 93.16 Favored 'General case' 0 N--CA 1.436 -1.148 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 -178.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.552 ' CD ' HD21 ' B' ' 64' ' ' ASN . 24.6 tp10 -66.41 -39.73 89.17 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.388 -0.823 . . . . 0.0 109.626 176.004 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -60.45 -47.82 84.46 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.883 179.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . 0.552 HG22 ' CB ' ' A' ' 79' ' ' ALA . 28.9 m -63.39 -41.18 91.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 C-N-CA 119.97 -0.692 . . . . 0.0 112.103 -177.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . 0.421 ' N ' HG23 ' B' ' 75' ' ' VAL . 8.7 p -63.98 -38.83 83.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 C-N-CA 120.567 -0.453 . . . . 0.0 111.378 -176.507 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . 0.404 ' CD1' HG11 ' B' ' 57' ' ' VAL . 38.6 tp -60.45 -49.95 75.53 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-O 121.247 0.546 . . . . 0.0 109.572 178.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 16.7 m -71.28 -41.62 74.48 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.917 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.05 178.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.08 -43.94 97.75 Favored 'General case' 0 CA--C 1.505 -0.764 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.036 -179.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . 0.41 ' O ' HG13 ' B' ' 83' ' ' VAL . . . -58.02 -47.59 82.62 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 178.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 82.4 mt -63.1 -42.55 99.61 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.557 176.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 14.9 m -62.15 -52.1 65.2 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 120.429 -0.508 . . . . 0.0 110.254 -179.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . 0.461 ' HB ' ' CD2' ' A' ' 71' ' ' PHE . 7.5 p -66.02 -43.53 92.5 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 C-N-CA 120.633 -0.427 . . . . 0.0 111.406 177.81 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.27 -54.72 43.58 Favored 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.323 -179.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 85' ' ' MET . . . . . 0.612 ' SD ' ' HA ' ' B' ' 44' ' ' PHE . 29.4 ttp -69.14 -45.27 70.52 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 -179.247 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -64.19 -46.75 82.56 Favored 'General case' 0 CA--C 1.513 -0.477 0 N-CA-C 112.146 0.425 . . . . 0.0 112.146 -174.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 18.0 t30 -62.01 -33.76 74.94 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.501 -0.48 . . . . 0.0 111.48 -176.043 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -52.8 -43.4 65.87 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 178.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 . . . . . 0 C--N 1.32 -0.69 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.604 -179.438 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m . . . . . 0 C--O 1.24 0.554 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -62.26 -38.23 88.49 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 174.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -61.14 -44.14 97.78 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 176.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -66.01 -42.31 89.84 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 115.129 -0.942 . . . . 0.0 109.267 177.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.417 ' O ' ' N ' ' A' ' 10' ' ' THR . 7.3 m -61.15 -46.14 91.75 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 109.06 -0.718 . . . . 0.0 109.06 176.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.54 -48.84 78.21 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.073 178.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.485 ' SD ' ' HB ' ' B' ' 78' ' ' VAL . 1.1 mtp -61.78 -44.15 97.44 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.106 -0.638 . . . . 0.0 109.681 179.452 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -62.8 -37.2 85.8 Favored 'General case' 0 CA--C 1.511 -0.55 0 C-N-CA 120.563 -0.455 . . . . 0.0 111.498 176.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.417 ' N ' ' O ' ' A' ' 6' ' ' THR . 9.9 m -59.92 -46.64 88.73 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 176.721 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 85.5 mt -64.17 -41.76 96.99 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.711 175.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.43 HG12 ' O ' ' A' ' 8' ' ' MET . 21.0 mm -62.21 -44.41 99.06 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 -179.282 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -62.47 -44.62 95.96 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.294 -178.2 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 77.2 t -64.18 -45.03 97.52 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.9 175.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -59.15 -46.37 88.55 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.731 178.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.537 ' NE2' ' OD1' ' B' ' 86' ' ' ASN . 2.1 m-70 -65.06 -41.15 95.37 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.902 179.569 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.426 ' O ' ' HG3' ' A' ' 21' ' ' LYS . . . -52.91 -49.69 65.45 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -70.06 -37.58 75.55 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.701 176.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.478 ' HB3' ' HA ' ' A' ' 26' ' ' TYR . 37.5 m -54.93 -44.5 74.31 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 119.932 -0.707 . . . . 0.0 109.223 178.791 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.72 -35.43 89.74 Favored Glycine 0 C--O 1.222 -0.596 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 179.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.426 ' HG3' ' O ' ' A' ' 17' ' ' ALA . 62.2 mttm -63.97 -41.07 97.65 Favored 'General case' 0 C--O 1.242 0.683 0 O-C-N 122.843 -0.21 . . . . 0.0 111.431 -178.046 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.566 ' CD ' ' HG ' ' A' ' 29' ' ' SER . 1.8 mt-10 -98.06 -25.27 15.0 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -176.706 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 121.03 -160.03 15.44 Favored Glycine 0 N--CA 1.463 0.46 0 C-N-CA 121.075 -0.583 . . . . 0.0 111.752 177.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.5 t70 64.88 162.92 0.14 Allowed 'General case' 0 C--O 1.24 0.588 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 -175.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.438 ' C ' ' CD2' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -62.65 -49.48 74.99 Favored 'General case' 0 CA--C 1.506 -0.72 0 C-N-CA 119.613 -0.835 . . . . 0.0 109.369 179.302 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.496 ' CE1' ' HA ' ' B' ' 87' ' ' ASN . 0.2 OUTLIER -167.55 94.08 0.42 Allowed 'General case' 0 C--N 1.312 -1.026 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.121 172.018 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.7 mmmm -148.42 161.03 42.41 Favored 'General case' 0 C--N 1.31 -1.123 0 N-CA-C 107.148 -1.427 . . . . 0.0 107.148 173.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 49.7 tp -122.59 131.34 53.78 Favored 'General case' 0 C--N 1.301 -1.52 0 CA-C-O 121.13 0.49 . . . . 0.0 109.921 -179.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.566 ' HG ' ' CD ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -97.19 179.62 4.84 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.007 178.458 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.578 ' NZ ' ' O ' ' A' ' 62' ' ' ASP . 4.7 mmmm -81.87 15.35 2.27 Favored 'General case' 0 C--N 1.314 -0.958 0 C-N-CA 120.545 -0.462 . . . . 0.0 111.578 -175.721 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.5 mttm -91.63 -67.34 0.86 Allowed 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.124 0.488 . . . . 0.0 109.964 -179.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -66.51 -34.82 78.78 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.412 178.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -54.76 -46.19 74.33 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -168.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.559 ' NZ ' ' CB ' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -61.01 -47.93 84.18 Favored 'General case' 0 CA--C 1.501 -0.921 0 C-N-CA 119.313 -0.955 . . . . 0.0 108.788 -179.857 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.443 ' HA ' HE21 ' A' ' 38' ' ' GLN . 18.8 mm-40 -67.69 -44.05 78.68 Favored 'General case' 0 N--CA 1.431 -1.402 0 CA-C-N 114.307 -1.315 . . . . 0.0 109.207 -176.177 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.6 tp -60.09 -49.38 77.88 Favored 'General case' 0 C--N 1.306 -1.321 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.832 176.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -63.94 -47.6 79.87 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 120.043 -0.663 . . . . 0.0 111.471 -177.309 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.443 HE21 ' HA ' ' A' ' 35' ' ' GLU . 29.0 pt20 -65.96 -41.27 91.42 Favored 'General case' 0 CA--C 1.511 -0.522 0 C-N-CA 119.338 -0.945 . . . . 0.0 110.593 178.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 95.5 m -63.51 -53.22 55.42 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 115.653 -0.703 . . . . 0.0 112.146 -177.2 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -73.81 -40.25 63.5 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 -174.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.1 mp -97.58 41.03 1.13 Allowed 'General case' 0 CA--C 1.508 -0.673 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.776 -178.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 73.0 m -52.54 -41.79 63.82 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.384 -178.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.51 -46.07 57.03 Favored Glycine 0 CA--C 1.522 0.495 0 C-N-CA 121.287 -0.482 . . . . 0.0 112.111 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.711 ' HA ' ' SD ' ' A' ' 85' ' ' MET . 59.3 m-85 -69.18 -39.77 78.5 Favored 'General case' 0 CA--C 1.488 -1.432 0 CA-C-O 121.432 0.634 . . . . 0.0 109.99 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 55.8 tp -61.47 -44.11 97.67 Favored 'General case' 0 N--CA 1.423 -1.808 0 CA-C-N 114.93 -1.032 . . . . 0.0 110.482 -179.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -55.69 -51.26 67.91 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.086 -177.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.523 ' HB2' ' SD ' ' A' ' 85' ' ' MET . . . -68.89 -40.4 79.23 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.732 179.159 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 60.1 mm-40 -65.97 -29.26 69.62 Favored 'General case' 0 CA--C 1.511 -0.523 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -176.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.2 mmtp -59.17 -39.85 83.79 Favored 'General case' 0 C--N 1.311 -1.102 0 C-N-CA 120.088 -0.645 . . . . 0.0 110.844 179.228 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -69.92 -8.13 46.19 Favored 'General case' 0 C--N 1.313 -1.006 0 C-N-CA 120.611 -0.436 . . . . 0.0 110.839 177.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 62.0 t -105.94 131.54 55.24 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 -177.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -61.04 -37.5 82.83 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.104 0.478 . . . . 0.0 110.941 -178.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.83 -25.17 7.22 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.496 -174.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 13.3 p -59.85 -42.22 88.35 Favored 'Isoleucine or valine' 0 C--O 1.24 0.577 0 C-N-CA 120.079 -0.648 . . . . 0.0 109.904 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.411 ' O ' ' N ' ' A' ' 59' ' ' LYS . 34.3 t70 -59.17 -49.22 78.7 Favored 'General case' 0 CA--C 1.504 -0.819 0 CA-C-O 121.619 0.723 . . . . 0.0 109.888 177.369 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 50.7 mttp -64.11 -42.45 96.86 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-N 114.33 -1.305 . . . . 0.0 112.43 -175.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 71.6 t -66.69 -47.53 82.87 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.805 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 178.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.409 ' O ' ' N ' ' A' ' 62' ' ' ASP . 64.5 ttp -61.89 -39.16 90.97 Favored 'General case' 0 N--CA 1.43 -1.438 0 CA-C-N 114.375 -1.284 . . . . 0.0 110.473 178.722 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 55' ' ' ASP . 1.5 ttpt -63.03 -49.49 74.41 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.28 -178.661 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -64.74 -43.34 93.67 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.227 -0.589 . . . . 0.0 110.849 179.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.4 ' HG ' HD13 ' A' ' 77' ' ' LEU . 2.3 mm? -62.82 -39.75 95.26 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.866 174.66 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.578 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . 37.2 t0 -60.86 -45.1 95.86 Favored 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.277 176.594 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -64.2 -43.33 95.38 Favored 'General case' 0 CA--C 1.513 -0.473 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 178.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.523 ' C ' ' H ' ' A' ' 66' ' ' ASP . 13.3 t-20 -63.3 -41.86 99.0 Favored 'General case' 0 C--N 1.313 -1.015 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 179.356 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.433 ' HA3' ' HD3' ' A' ' 30' ' ' LYS . . . -71.72 41.29 0.68 Allowed Glycine 0 C--N 1.319 -0.364 0 N-CA-C 110.083 -1.207 . . . . 0.0 110.083 176.668 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.523 ' H ' ' C ' ' A' ' 64' ' ' ASN . 35.1 t70 -62.37 -39.68 93.97 Favored 'General case' 0 CA--C 1.501 -0.915 0 CA-C-O 121.225 0.536 . . . . 0.0 109.558 -179.538 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -116.22 -62.51 0.34 Allowed Glycine 0 C--N 1.31 -0.911 0 N-CA-C 109.307 -1.517 . . . . 0.0 109.307 176.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -135.38 157.6 46.48 Favored 'General case' 0 C--N 1.314 -0.958 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 176.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 1.5 p -113.19 124.38 69.77 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.235 0 N-CA-C 106.625 -1.62 . . . . 0.0 106.625 170.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.604 ' CG ' ' H ' ' A' ' 71' ' ' PHE . 14.0 t70 -92.62 179.36 5.52 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.604 -173.251 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.604 ' H ' ' CG ' ' A' ' 70' ' ' ASP . 58.6 t80 -58.42 -43.57 88.72 Favored 'General case' 0 C--N 1.306 -1.283 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 -179.574 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -59.32 -43.79 92.66 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.897 179.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -66.31 -38.93 88.84 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.277 0.56 . . . . 0.0 109.944 175.054 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 43.4 t80 -60.82 -48.07 83.46 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.339 -179.025 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.47 HG21 ' N ' ' A' ' 76' ' ' VAL . 13.5 m -64.57 -41.89 93.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 C-N-CA 119.846 -0.742 . . . . 0.0 112.064 179.766 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.47 ' N ' HG21 ' A' ' 75' ' ' VAL . 14.7 p -65.41 -40.1 87.3 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 C-N-CA 120.02 -0.672 . . . . 0.0 111.057 -179.4 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.4 HD13 ' HG ' ' A' ' 61' ' ' LEU . 48.0 tp -60.89 -48.67 80.76 Favored 'General case' 0 CA--C 1.509 -0.62 0 C-N-CA 120.571 -0.452 . . . . 0.0 110.345 179.519 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 13.6 m -69.4 -42.73 81.18 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.84 0 C-N-CA 120.115 -0.634 . . . . 0.0 110.843 178.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.94 -42.6 99.86 Favored 'General case' 0 CA--C 1.508 -0.647 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.481 179.51 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.79 -49.23 75.95 Favored 'General case' 0 CA--C 1.51 -0.585 0 CA-C-O 121.371 0.605 . . . . 0.0 109.87 -178.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 90.7 mt -63.08 -41.19 99.36 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.153 -0.93 . . . . 0.0 109.334 176.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.439 ' O ' ' HB2' ' A' ' 86' ' ' ASN . 23.4 m -61.75 -51.75 67.04 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.219 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 7.3 p -63.16 -44.9 99.63 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.409 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.627 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.31 -51.71 68.3 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.23 178.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' MET . . . . . 0.711 ' SD ' ' HA ' ' A' ' 44' ' ' PHE . 26.2 ttp -68.16 -42.72 79.61 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 119.761 -0.776 . . . . 0.0 110.627 179.606 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.439 ' HB2' ' O ' ' A' ' 82' ' ' THR . 0.4 OUTLIER -48.84 -29.64 4.86 Favored 'General case' 0 CA--C 1.501 -0.92 0 C-N-CA 120.545 -0.462 . . . . 0.0 110.874 -176.073 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -46.66 -38.78 10.26 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.619 176.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -63.09 -43.54 98.22 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.247 177.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 15.3 m-30 -61.44 -48.44 81.15 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.21 -176.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . 0.451 ' CE2' ' ND1' ' B' ' 16' ' ' HIS . 25.4 m95 . . . . . 0 C--N 1.318 -0.766 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -176.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 28.0 m . . . . . 0 N--CA 1.451 -0.405 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 56.1 mp0 -53.55 -20.41 4.96 Favored 'General case' 0 CA--C 1.517 -0.316 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 177.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.454 ' O ' ' HG2' ' B' ' 8' ' ' MET . 77.2 mt -61.59 -41.23 97.12 Favored 'General case' 0 N--CA 1.437 -1.124 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 177.615 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -61.8 -43.81 98.11 Favored 'General case' 0 N--CA 1.445 -0.713 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 178.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' THR . . . . . 0.408 ' O ' ' N ' ' B' ' 10' ' ' THR . 9.9 m -61.44 -43.53 98.7 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.47 174.636 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.94 -47.06 87.32 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.955 177.048 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' MET . . . . . 0.454 ' HG2' ' O ' ' B' ' 4' ' ' LEU . 97.3 mmm -63.69 -39.88 95.41 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 178.066 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . 0.448 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 50.4 mm-40 -61.14 -40.89 95.55 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 173.12 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' THR . . . . . 0.408 ' N ' ' O ' ' B' ' 6' ' ' THR . 7.5 m -60.6 -44.62 96.08 Favored 'General case' 0 N--CA 1.443 -0.795 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 176.489 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 87.4 mt -62.58 -43.49 98.67 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.034 176.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.6 HG23 ' CD2' ' B' ' 16' ' ' HIS . 11.0 mm -63.32 -44.75 99.24 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.16 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 178.553 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 49.0 m-80 -62.47 -43.51 98.63 Favored 'General case' 0 CA--C 1.504 -0.789 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.537 -178.468 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 85.0 t -64.69 -46.6 91.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 176.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.493 ' CE1' ' HB2' ' B' ' 28' ' ' LEU . 75.9 t80 -58.94 -47.68 84.19 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.323 179.272 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.6 ' CD2' HG23 ' B' ' 12' ' ' ILE . 9.8 m-70 -60.63 -39.36 87.99 Favored 'General case' 0 CA--C 1.505 -0.762 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.805 177.449 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . 0.501 ' O ' ' HG2' ' B' ' 21' ' ' LYS . . . -54.07 -51.4 64.22 Favored 'General case' 0 C--N 1.318 -0.794 0 C-N-CA 120.121 -0.632 . . . . 0.0 109.618 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.429 ' CE1' ' HB2' ' B' ' 36' ' ' LEU . 98.5 m-70 -66.95 -39.96 87.41 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.08 177.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.439 ' O ' ' N ' ' B' ' 23' ' ' GLY . 47.1 m -56.6 -41.57 77.25 Favored 'General case' 0 CA--C 1.517 -0.29 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 173.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' B' ' 16' ' ' HIS . . . -62.88 -39.93 98.63 Favored Glycine 0 N--CA 1.449 -0.494 0 N-CA-C 110.552 -1.019 . . . . 0.0 110.552 176.606 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . 0.501 ' HG2' ' O ' ' B' ' 17' ' ' ALA . 75.6 mmtt -63.2 -47.42 82.63 Favored 'General case' 0 CA--C 1.513 -0.463 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 178.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.547 ' HG2' ' HD2' ' B' ' 31' ' ' LYS . 99.1 mt-10 -71.05 -41.29 70.98 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.182 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' B' ' 19' ' ' SER . . . 133.01 -25.26 3.71 Favored Glycine 0 CA--C 1.535 1.319 0 C-N-CA 121.571 -0.347 . . . . 0.0 112.935 175.319 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -68.01 151.61 46.81 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 117.312 0.556 . . . . 0.0 111.037 -177.046 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.525 ' HG2' ' N ' ' B' ' 26' ' ' TYR . 0.1 OUTLIER -59.36 -42.31 91.31 Favored 'General case' 0 C--O 1.24 0.598 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 176.764 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.525 ' N ' ' HG2' ' B' ' 25' ' ' LYS . 2.3 p90 -166.04 94.61 0.57 Allowed 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.337 168.401 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 2.6 mmmm -154.7 157.29 37.86 Favored 'General case' 0 C--N 1.312 -1.057 0 N-CA-C 106.534 -1.654 . . . . 0.0 106.534 171.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.493 ' HB2' ' CE1' ' B' ' 15' ' ' PHE . 43.0 tp -125.31 127.66 47.01 Favored 'General case' 0 C--N 1.3 -1.553 0 C-N-CA 119.931 -0.708 . . . . 0.0 111.033 179.016 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' SER . . . . . 0.511 ' H ' ' CD ' ' B' ' 22' ' ' GLU . 1.5 m -96.44 162.8 13.32 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 176.704 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.47 ' HZ3' ' CA ' ' B' ' 65' ' ' GLY . 2.7 mmmm -70.4 -6.66 37.18 Favored 'General case' 0 C--N 1.312 -1.054 0 C-N-CA 119.9 -0.72 . . . . 0.0 112.01 -175.282 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.547 ' HD2' ' HG2' ' B' ' 22' ' ' GLU . 0.2 OUTLIER -70.56 -53.21 16.96 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.056 -0.657 . . . . 0.0 110.79 177.781 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' B' ' 36' ' ' LEU . 75.1 mm-40 -73.83 -40.7 63.13 Favored 'General case' 0 C--O 1.219 -0.518 0 N-CA-C 112.089 0.404 . . . . 0.0 112.089 175.235 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.423 HD23 ' CD2' ' B' ' 28' ' ' LEU . 2.3 tm? -58.54 -48.87 79.45 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 -167.592 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -65.27 -38.08 89.18 Favored 'General case' 0 C--N 1.314 -0.968 0 C-N-CA 119.132 -1.027 . . . . 0.0 110.625 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -65.68 -46.38 79.27 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 174.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' B' ' 32' ' ' GLU . 3.3 tp -61.44 -48.01 83.12 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.613 -0.722 . . . . 0.0 111.408 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -63.42 -46.56 85.79 Favored 'General case' 0 C--N 1.316 -0.854 0 C-N-CA 120.663 -0.415 . . . . 0.0 111.132 -179.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 -67.16 -42.69 83.91 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 119.866 -0.733 . . . . 0.0 110.811 177.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 63.5 m -62.68 -52.17 64.36 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.626 -0.715 . . . . 0.0 112.635 -178.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -79.07 -39.49 33.67 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 113.214 0.82 . . . . 0.0 113.214 -176.151 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 6.9 mp -102.92 33.46 3.24 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.657 -176.002 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 51.3 m -51.23 -40.0 57.84 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.274 -178.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.02 -49.5 62.22 Favored Glycine 0 C--O 1.243 0.684 0 N-CA-C 110.757 -0.937 . . . . 0.0 110.757 178.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . 0.598 ' HA ' ' SD ' ' B' ' 85' ' ' MET . 63.7 m-85 -64.2 -43.39 95.21 Favored 'General case' 0 CA--C 1.5 -0.944 0 CA-C-O 121.468 0.652 . . . . 0.0 109.699 177.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.469 ' O ' ' HG3' ' B' ' 49' ' ' LYS . 3.1 tp -60.85 -47.73 85.01 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.715 178.419 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.4 ' OD1' ' NZ ' ' B' ' 49' ' ' LYS . 29.8 t70 -61.84 -41.91 98.39 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 120.699 -0.4 . . . . 0.0 111.396 178.779 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.25 -35.52 81.1 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.424 177.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.431 HE22 ' CG1' ' B' ' 51' ' ' VAL . 13.2 mm100 -89.42 -1.89 58.21 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 114.3 1.222 . . . . 0.0 114.3 -173.252 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.469 ' HG3' ' O ' ' B' ' 45' ' ' LEU . 31.0 mtmt -60.4 -43.08 97.02 Favored 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 113.49 0.922 . . . . 0.0 113.49 -171.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -86.48 -4.58 59.2 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 120.22 -0.592 . . . . 0.0 111.453 -178.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . 0.431 ' CG1' HE22 ' B' ' 48' ' ' GLN . 60.7 t -82.76 133.55 28.85 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.011 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.45 -178.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -57.62 -40.75 79.88 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.106 -178.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.95 -31.04 49.23 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.581 -177.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 1.4 p -59.76 -44.58 94.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 C-N-CA 119.352 -0.939 . . . . 0.0 109.773 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.541 ' O ' ' N ' ' B' ' 59' ' ' LYS . 23.1 t70 -62.45 -48.67 78.62 Favored 'General case' 0 CA--C 1.497 -1.087 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 176.052 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -64.97 -42.33 94.65 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.924 -173.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . 0.429 HG12 ' CD1' ' B' ' 77' ' ' LEU . 87.0 t -67.36 -44.61 87.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 177.384 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' MET . . . . . 0.446 ' O ' ' N ' ' B' ' 62' ' ' ASP . 66.5 ttp -61.73 -40.32 94.64 Favored 'General case' 0 N--CA 1.433 -1.276 0 CA-C-N 114.641 -1.163 . . . . 0.0 109.978 175.433 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . 0.541 ' N ' ' O ' ' B' ' 55' ' ' ASP . 0.1 OUTLIER -61.1 -45.17 95.79 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.368 179.902 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -57.4 -46.98 82.88 Favored 'General case' 0 C--O 1.243 0.759 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 178.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.444 ' O ' ' NZ ' ' B' ' 30' ' ' LYS . 2.2 mm? -63.63 -42.21 98.2 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.028 173.518 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' B' ' 58' ' ' MET . 29.2 t70 -56.55 -48.13 77.97 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-O 121.207 0.527 . . . . 0.0 109.784 -178.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -66.04 -37.27 85.45 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.906 176.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.515 ' C ' ' H ' ' B' ' 66' ' ' ASP . 3.1 t-20 -65.39 -8.48 18.92 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.063 177.588 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . 0.47 ' CA ' ' HZ3' ' B' ' 30' ' ' LYS . . . -60.59 3.63 0.36 Allowed Glycine 0 N--CA 1.472 1.043 0 N-CA-C 111.479 -0.649 . . . . 0.0 111.479 177.801 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.515 ' H ' ' C ' ' B' ' 64' ' ' ASN . 54.8 m-20 -60.94 -40.2 92.36 Favored 'General case' 0 CA--C 1.504 -0.824 0 N-CA-C 108.045 -1.095 . . . . 0.0 108.045 176.787 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -141.26 -139.46 3.68 Favored Glycine 0 C--O 1.244 0.725 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 178.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -90.43 164.99 14.08 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 121.29 0.567 . . . . 0.0 111.002 -178.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.442 ' O ' ' HB3' ' B' ' 28' ' ' LEU . 1.4 p -116.53 125.68 73.64 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.266 0 N-CA-C 107.283 -1.377 . . . . 0.0 107.283 173.489 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.594 ' CG ' ' H ' ' B' ' 71' ' ' PHE . 44.3 t0 -99.77 -175.8 3.08 Favored 'General case' 0 C--N 1.307 -1.253 0 C-N-CA 120.498 -0.481 . . . . 0.0 111.163 -173.688 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.594 ' H ' ' CG ' ' B' ' 70' ' ' ASP . 45.4 t80 -58.46 -45.23 89.02 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.152 0.501 . . . . 0.0 110.113 -172.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -59.19 -45.03 92.12 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.634 177.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -68.04 -38.24 82.26 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.246 0.546 . . . . 0.0 110.304 176.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . 0.427 ' CE1' HD23 ' B' ' 36' ' ' LEU . 29.5 t80 -60.92 -48.31 82.42 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.693 179.416 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . 0.415 HG21 ' N ' ' B' ' 76' ' ' VAL . 34.0 m -63.2 -41.49 92.98 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 C-N-CA 119.915 -0.714 . . . . 0.0 112.072 -179.024 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . 0.415 ' N ' HG21 ' B' ' 75' ' ' VAL . 10.6 p -64.81 -38.38 82.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 C-N-CA 120.206 -0.598 . . . . 0.0 110.818 -179.167 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . 0.429 ' CD1' HG12 ' B' ' 57' ' ' VAL . 61.2 tp -61.47 -48.2 82.2 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-O 120.866 0.365 . . . . 0.0 110.257 179.445 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.485 ' HB ' ' SD ' ' A' ' 8' ' ' MET . 27.7 m -70.43 -39.7 76.69 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.636 0 C-N-CA 120.075 -0.65 . . . . 0.0 111.188 177.559 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.95 -40.82 97.29 Favored 'General case' 0 CA--C 1.508 -0.669 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.45 177.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' B' ' 76' ' ' VAL . . . -56.64 -50.39 72.19 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-O 121.259 0.552 . . . . 0.0 109.571 -178.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 99.6 mt -64.8 -41.4 95.83 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.57 177.182 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.475 HG23 ' CZ ' ' B' ' 44' ' ' PHE . 19.5 m -63.04 -48.64 77.85 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.968 179.111 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 7.7 p -62.82 -43.54 98.9 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.107 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.19 -51.29 70.61 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.372 178.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 85' ' ' MET . . . . . 0.598 ' SD ' ' HA ' ' B' ' 44' ' ' PHE . 27.0 ttt -65.13 -41.68 94.58 Favored 'General case' 0 CA--C 1.508 -0.639 0 C-N-CA 119.945 -0.702 . . . . 0.0 109.379 177.708 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . 0.537 ' OD1' ' NE2' ' A' ' 16' ' ' HIS . 26.8 t-20 -60.82 -40.13 91.62 Favored 'General case' 0 CA--C 1.501 -0.911 0 C-N-CA 120.223 -0.591 . . . . 0.0 109.473 -179.201 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . 0.496 ' HA ' ' CE1' ' A' ' 26' ' ' TYR . 37.3 t30 -58.28 -46.11 86.66 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.07 -0.513 . . . . 0.0 109.86 178.282 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -68.93 -33.26 73.45 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.048 176.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 5.5 t80 . . . . . 0 C--N 1.318 -0.765 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.003 -173.378 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 m . . . . . 0 C--O 1.237 0.404 0 CA-C-O 120.53 0.205 . . . . 0.0 110.653 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' A' ' 7' ' ' ALA . 55.9 mp0 -57.54 -48.84 78.21 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-O 121.103 0.478 . . . . 0.0 110.585 -178.404 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.451 ' N ' ' CD2' ' A' ' 4' ' ' LEU . 0.9 OUTLIER -62.48 -43.61 98.39 Favored 'General case' 0 C--N 1.314 -0.946 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 -178.434 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -65.62 -45.49 82.9 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-N 115.04 -0.982 . . . . 0.0 109.265 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 14.6 m -62.49 -44.8 95.5 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.365 175.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.41 ' N ' ' O ' ' A' ' 3' ' ' GLU . . . -54.42 -49.82 69.08 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.309 178.719 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 94.3 mmm -63.82 -41.48 97.85 Favored 'General case' 0 CA--C 1.513 -0.446 0 C-N-CA 119.876 -0.73 . . . . 0.0 110.587 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -66.14 -35.1 79.59 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 119.998 -0.681 . . . . 0.0 111.292 176.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.461 ' CG2' HD11 ' B' ' 4' ' ' LEU . 10.0 m -56.53 -43.4 79.81 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 107.907 -1.146 . . . . 0.0 107.907 178.431 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 83.3 mt -62.91 -41.1 99.34 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.636 174.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.44 HD12 ' CE1' ' A' ' 71' ' ' PHE . 25.6 mm -62.44 -43.47 98.28 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 179.436 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -60.2 -44.59 95.0 Favored 'General case' 0 CA--C 1.505 -0.755 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 -178.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 55.4 t -63.89 -45.9 95.7 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.688 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.067 176.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -59.67 -48.18 82.68 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.507 -178.024 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.58 ' NE2' ' OD1' ' B' ' 86' ' ' ASN . 74.5 m-70 -60.57 -40.95 93.57 Favored 'General case' 0 CA--C 1.508 -0.642 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.301 176.378 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.434 ' O ' ' HG2' ' A' ' 21' ' ' LYS . . . -53.45 -48.82 68.49 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.833 -176.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -76.61 -37.9 55.66 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.698 178.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 65.5 m -57.68 -42.99 84.73 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-O 121.164 0.507 . . . . 0.0 110.017 178.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.32 -42.19 93.45 Favored Glycine 0 N--CA 1.446 -0.694 0 N-CA-C 110.731 -0.948 . . . . 0.0 110.731 -178.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.434 ' HG2' ' O ' ' A' ' 17' ' ' ALA . 1.5 mmtp -65.36 -46.73 79.02 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.182 0.515 . . . . 0.0 109.612 -178.457 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.524 ' OE1' ' N ' ' A' ' 29' ' ' SER . 99.1 mt-10 -70.45 -41.53 72.7 Favored 'General case' 0 N--CA 1.441 -0.912 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.314 -176.144 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 160.33 -73.13 0.21 Allowed Glycine 0 CA--C 1.522 0.474 0 C-N-CA 119.999 -1.095 . . . . 0.0 113.141 177.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -60.52 157.07 14.93 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -172.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.55 ' HG3' ' CE2' ' A' ' 26' ' ' TYR . 0.5 OUTLIER -66.33 -30.83 71.31 Favored 'General case' 0 C--O 1.241 0.623 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 175.482 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.55 ' CE2' ' HG3' ' A' ' 25' ' ' LYS . 0.6 OUTLIER -149.37 91.83 1.87 Allowed 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.468 173.24 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.6 mmmm -159.71 155.42 25.97 Favored 'General case' 0 CA--C 1.501 -0.906 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 167.114 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.421 ' HG ' ' HB2' ' A' ' 33' ' ' LEU . 53.6 tp -129.09 132.48 47.42 Favored 'General case' 0 C--N 1.304 -1.411 0 C-N-CA 120.583 -0.447 . . . . 0.0 109.908 177.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.524 ' N ' ' OE1' ' A' ' 22' ' ' GLU . 1.1 m -104.34 173.92 6.09 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 -179.382 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.479 ' NZ ' ' O ' ' A' ' 61' ' ' LEU . 11.2 mmmm -76.33 -5.98 49.5 Favored 'General case' 0 C--N 1.315 -0.902 0 C-N-CA 120.459 -0.496 . . . . 0.0 111.467 -175.644 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.454 ' HD2' ' HG2' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -67.67 -69.69 0.3 Allowed 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 178.813 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.464 ' O ' ' N ' ' A' ' 36' ' ' LEU . 58.7 mm-40 -69.77 -35.12 74.65 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.266 -0.879 . . . . 0.0 112.19 179.579 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.421 ' HB2' ' HG ' ' A' ' 28' ' ' LEU . 1.2 tm? -56.62 -50.04 73.19 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 113.264 0.839 . . . . 0.0 113.264 -167.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.436 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 7.5 mtmp? -63.59 -41.68 98.33 Favored 'General case' 0 CA--C 1.508 -0.655 0 C-N-CA 118.391 -1.323 . . . . 0.0 110.69 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -65.37 -44.08 88.72 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.933 -0.765 . . . . 0.0 108.933 176.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' A' ' 32' ' ' GLU . 3.2 tp -60.43 -48.42 81.85 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.334 179.383 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -63.42 -48.21 78.73 Favored 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 119.911 -0.716 . . . . 0.0 111.424 -178.137 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.436 ' HG2' ' O ' ' A' ' 34' ' ' LYS . 19.9 pt20 -66.0 -40.12 90.88 Favored 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 120.15 -0.62 . . . . 0.0 110.348 178.583 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 71.2 m -65.32 -52.86 51.19 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 115.558 -0.746 . . . . 0.0 112.877 -177.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -73.83 -40.67 63.16 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 119.729 -0.788 . . . . 0.0 112.146 -175.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.563 ' O ' ' N ' ' A' ' 45' ' ' LEU . 10.5 mp -88.35 44.78 1.22 Allowed 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.596 -178.24 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.57 -47.33 73.42 Favored 'General case' 0 C--N 1.31 -1.121 0 C-N-CA 120.96 -0.296 . . . . 0.0 111.633 -175.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.402 ' H ' ' CD ' ' B' ' 5' ' ' GLU . . . -70.24 -43.99 61.37 Favored Glycine 0 CA--C 1.522 0.494 0 N-CA-C 111.384 -0.686 . . . . 0.0 111.384 178.478 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.603 ' HA ' ' SD ' ' A' ' 85' ' ' MET . 41.8 m-85 -66.69 -42.44 86.48 Favored 'General case' 0 CA--C 1.499 -1.012 0 CA-C-O 121.068 0.461 . . . . 0.0 110.008 178.172 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.563 ' N ' ' O ' ' A' ' 41' ' ' LEU . 46.5 tp -61.14 -45.75 93.38 Favored 'General case' 0 N--CA 1.431 -1.423 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.023 174.302 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.463 ' O ' ' HE2' ' A' ' 49' ' ' LYS . 34.9 t70 -56.15 -47.24 78.6 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.021 0.439 . . . . 0.0 110.294 -179.764 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.65 ' CB ' ' SD ' ' A' ' 85' ' ' MET . . . -67.03 -36.51 82.26 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.909 175.498 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.434 ' HG2' ' O ' ' A' ' 44' ' ' PHE . 82.0 mm-40 -84.78 1.04 48.54 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 -174.566 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.502 ' HG3' ' O ' ' A' ' 45' ' ' LEU . 41.6 mtmt -58.89 -37.12 75.86 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 120.736 -0.385 . . . . 0.0 111.274 -176.339 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -114.38 36.48 3.74 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.866 0.365 . . . . 0.0 111.407 -179.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.554 ' C ' ' H ' ' A' ' 53' ' ' ALA . 57.6 t -112.64 -13.32 11.4 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 N-CA-C 111.841 0.312 . . . . 0.0 111.841 -179.533 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.442 ' OD1' ' NZ ' ' A' ' 56' ' ' LYS . 7.3 t70 62.17 -30.65 0.08 Allowed 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 112.889 0.699 . . . . 0.0 112.889 178.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.554 ' H ' ' C ' ' A' ' 51' ' ' VAL . . . -54.49 -33.07 59.13 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.014 0.435 . . . . 0.0 110.669 -178.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.7 p -58.81 -44.31 90.11 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.814 179.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 59' ' ' LYS . 31.3 t70 -61.16 -45.14 95.84 Favored 'General case' 0 CA--C 1.502 -0.895 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.296 176.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.442 ' NZ ' ' OD1' ' A' ' 52' ' ' ASP . 37.1 mttp -64.17 -45.34 88.83 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 115.001 -1.0 . . . . 0.0 110.792 -178.325 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 57.3 t -65.09 -44.8 95.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 177.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.464 ' O ' ' N ' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -67.1 -22.05 65.83 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.4 175.541 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 55' ' ' ASP . 0.5 OUTLIER -62.73 -43.55 98.5 Favored 'General case' 0 CA--C 1.502 -0.888 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.219 -178.833 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.415 ' O ' ' N ' ' A' ' 64' ' ' ASN . 95.9 mt-10 -58.58 -41.56 86.04 Favored 'General case' 0 N--CA 1.437 -1.112 0 N-CA-C 107.769 -1.197 . . . . 0.0 107.769 176.102 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.479 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . 39.0 mt -65.24 -37.85 88.53 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.985 175.332 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 58' ' ' MET . 94.0 m-20 -61.75 -43.0 99.7 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 176.276 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -68.62 -48.92 62.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.652 0.739 . . . . 0.0 109.57 177.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.612 ' C ' ' H ' ' A' ' 66' ' ' ASP . 14.2 t-20 -68.1 -18.05 64.55 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.845 -1.07 . . . . 0.0 111.36 -178.234 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 61' ' ' LEU . . . -65.23 22.84 0.12 Allowed Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.741 -0.544 . . . . 0.0 111.741 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.612 ' H ' ' C ' ' A' ' 64' ' ' ASN . 37.0 t70 -62.08 -41.66 98.4 Favored 'General case' 0 CA--C 1.506 -0.728 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 175.697 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -126.47 -74.36 0.21 Allowed Glycine 0 N--CA 1.45 -0.417 0 N-CA-C 110.471 -1.051 . . . . 0.0 110.471 178.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -148.49 177.49 9.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.83 0.348 . . . . 0.0 111.205 -178.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.0 p -126.51 135.89 62.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.426 -0.806 . . . . 0.0 108.958 174.002 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -95.48 -179.8 4.89 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 121.372 0.606 . . . . 0.0 111.978 -175.125 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.44 ' CE1' HD12 ' A' ' 12' ' ' ILE . 78.1 t80 -61.74 -45.17 95.08 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.596 178.03 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.481 ' O ' HG21 ' A' ' 75' ' ' VAL . 50.3 mt-30 -61.27 -40.95 95.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.093 -178.804 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -68.06 -40.44 82.78 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 121.397 0.618 . . . . 0.0 109.449 174.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 29.3 t80 -60.93 -48.82 80.06 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.59 -0.732 . . . . 0.0 112.153 178.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.481 HG21 ' O ' ' A' ' 72' ' ' GLN . 16.7 m -64.12 -42.81 96.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 C-N-CA 120.064 -0.654 . . . . 0.0 112.01 -178.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 14.9 p -65.07 -33.25 62.44 Favored 'Isoleucine or valine' 0 C--O 1.237 0.424 0 C-N-CA 120.092 -0.643 . . . . 0.0 110.324 178.221 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 49.0 tp -60.15 -49.24 78.44 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.739 179.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 8.6 m -73.0 -42.01 59.68 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.923 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.901 178.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.3 -40.97 98.05 Favored 'General case' 0 CA--C 1.513 -0.442 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.71 -178.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.12 -45.23 87.65 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 179.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 93.4 mt -63.7 -41.1 98.17 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.703 174.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.42 HG23 ' OD1' ' A' ' 86' ' ' ASN . 19.4 m -61.2 -50.89 71.27 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.61 -177.29 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 10.3 p -62.78 -43.23 98.6 Favored 'Isoleucine or valine' 0 C--O 1.24 0.587 0 C-N-CA 120.433 -0.507 . . . . 0.0 110.737 179.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -56.6 -52.26 65.52 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.655 179.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' MET . . . . . 0.65 ' SD ' ' CB ' ' A' ' 47' ' ' ALA . 24.7 ttp -70.1 -43.02 71.93 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.356 -0.538 . . . . 0.0 110.598 179.711 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.42 ' OD1' HG23 ' A' ' 82' ' ' THR . 7.0 m120 -64.1 -31.29 72.42 Favored 'General case' 0 CA--C 1.499 -0.988 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -175.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -56.53 -33.11 65.75 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 178.424 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.412 ' HB3' ' O ' ' A' ' 85' ' ' MET . 39.3 t80 -58.77 -45.68 89.22 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 179.246 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -55.07 -44.96 75.29 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 119.582 -0.847 . . . . 0.0 110.526 -172.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . 0.424 ' CD1' ' CE1' ' B' ' 16' ' ' HIS . 83.9 m95 . . . . . 0 C--N 1.311 -1.067 0 CA-C-O 121.167 0.508 . . . . 0.0 110.476 179.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 5.9 m . . . . . 0 C--O 1.238 0.475 0 CA-C-O 120.57 0.224 . . . . 0.0 110.683 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . 0.504 ' O ' ' N ' ' B' ' 7' ' ' ALA . 67.8 mt-10 -56.92 -30.22 63.78 Favored 'General case' 0 CA--C 1.511 -0.531 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 177.106 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.461 HD11 ' CG2' ' A' ' 10' ' ' THR . 3.5 mm? -61.97 -42.24 98.9 Favored 'General case' 0 CA--C 1.51 -0.591 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 175.723 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . 0.402 ' CD ' ' H ' ' A' ' 43' ' ' GLY . 35.8 mt-10 -62.55 -42.55 99.6 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 177.255 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 9.6 m -61.65 -44.72 96.45 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.695 173.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . 0.504 ' N ' ' O ' ' B' ' 3' ' ' GLU . . . -58.26 -45.41 87.88 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 178.477 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' MET . . . . . 0.417 ' HG2' ' O ' ' B' ' 4' ' ' LEU . 94.0 mmm -63.2 -41.56 99.19 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.393 177.577 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -64.14 -37.68 88.34 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 120.12 -0.632 . . . . 0.0 110.604 175.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 9.7 m -57.53 -43.42 84.34 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 178.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 73.0 mt -62.42 -42.7 99.64 Favored 'General case' 0 C--O 1.24 0.569 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.047 174.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.426 HD12 ' CE2' ' B' ' 71' ' ' PHE . 17.0 mm -62.83 -44.76 99.77 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.554 0 CA-C-N 116.132 -0.486 . . . . 0.0 109.766 -178.8 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 64.0 m-80 -61.54 -43.1 99.48 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.687 -176.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 90.2 t -63.93 -46.3 94.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.921 174.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -58.1 -48.15 81.07 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.742 -178.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.517 ' CE1' ' HB3' ' B' ' 26' ' ' TYR . 21.9 m-70 -66.26 -39.55 89.53 Favored 'General case' 0 CA--C 1.512 -0.505 0 C-N-CA 120.695 -0.402 . . . . 0.0 111.428 178.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.61 -50.94 66.86 Favored 'General case' 0 CA--C 1.518 -0.263 0 C-N-CA 120.557 -0.457 . . . . 0.0 109.826 178.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.449 ' ND1' ' OE1' ' B' ' 32' ' ' GLU . 93.3 m-70 -67.29 -40.06 86.04 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.872 177.649 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 32.2 m -57.75 -45.41 85.93 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 121.162 0.505 . . . . 0.0 109.918 -179.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.4 -40.92 99.31 Favored Glycine 0 N--CA 1.447 -0.591 0 N-CA-C 110.381 -1.088 . . . . 0.0 110.381 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -64.31 -44.19 92.34 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 121.075 -0.25 . . . . 0.0 111.495 -178.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.529 ' CD ' ' HG ' ' B' ' 29' ' ' SER . 95.8 mt-10 -68.4 -38.19 81.06 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.018 -0.673 . . . . 0.0 111.113 179.697 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 136.94 -20.66 3.4 Favored Glycine 0 N--CA 1.47 0.917 0 C-N-CA 120.489 -0.862 . . . . 0.0 113.494 173.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -75.88 153.19 36.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 117.417 0.609 . . . . 0.0 111.516 -178.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.511 ' HB3' ' CE2' ' B' ' 26' ' ' TYR . 29.7 mtmt -62.48 -44.96 95.12 Favored 'General case' 0 CA--C 1.49 -1.343 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 176.746 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.517 ' HB3' ' CE1' ' B' ' 16' ' ' HIS . 0.1 OUTLIER -161.07 90.4 0.83 Allowed 'General case' 0 N--CA 1.422 -1.852 0 CA-C-N 114.855 -1.066 . . . . 0.0 109.395 173.735 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 26.0 mmmt -162.58 154.94 19.01 Favored 'General case' 0 C--N 1.31 -1.135 0 N-CA-C 106.093 -1.817 . . . . 0.0 106.093 172.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 42.1 tp -124.65 132.39 53.41 Favored 'General case' 0 C--N 1.3 -1.575 0 C-N-CA 120.281 -0.567 . . . . 0.0 110.266 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' SER . . . . . 0.529 ' HG ' ' CD ' ' B' ' 22' ' ' GLU . 0.0 OUTLIER -96.62 178.91 5.17 Favored 'General case' 0 C--N 1.308 -1.21 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 175.285 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.489 ' NZ ' ' O ' ' B' ' 61' ' ' LEU . 4.2 mmmm -78.51 -3.61 44.45 Favored 'General case' 0 C--N 1.309 -1.156 0 C-N-CA 120.098 -0.641 . . . . 0.0 111.493 -177.315 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.439 ' HD2' ' HG2' ' B' ' 22' ' ' GLU . 0.1 OUTLIER -64.7 -69.8 0.27 Allowed 'General case' 0 C--O 1.237 0.426 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 177.487 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.473 ' O ' ' HB3' ' B' ' 36' ' ' LEU . 76.3 mm-40 -68.67 -38.69 80.6 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.504 179.149 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -57.75 -46.81 83.98 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 120.585 -0.446 . . . . 0.0 111.591 -171.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 9.1 mtmp? -63.62 -42.16 98.21 Favored 'General case' 0 C--N 1.319 -0.746 0 C-N-CA 119.033 -1.067 . . . . 0.0 110.352 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -68.73 -44.39 73.92 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.1 177.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.473 ' HB3' ' O ' ' B' ' 32' ' ' GLU . 1.1 tp -60.52 -50.08 74.99 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.759 -0.655 . . . . 0.0 112.123 179.662 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -62.7 -47.42 83.72 Favored 'General case' 0 C--N 1.313 -1.002 0 C-N-CA 119.785 -0.766 . . . . 0.0 111.283 -175.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -66.44 -41.64 88.85 Favored 'General case' 0 C--N 1.314 -0.941 0 C-N-CA 120.111 -0.636 . . . . 0.0 110.635 177.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 73.9 m -63.82 -54.02 41.57 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.933 -0.576 . . . . 0.0 112.484 -177.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -70.86 -40.19 72.47 Favored 'General case' 0 CA--C 1.515 -0.397 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -176.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.481 ' O ' ' N ' ' B' ' 45' ' ' LEU . 10.8 mp -97.31 37.2 1.36 Allowed 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.874 -178.549 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 73.4 m -53.1 -42.32 65.82 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 121.056 -0.258 . . . . 0.0 111.561 -175.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.64 -46.55 67.82 Favored Glycine 0 N--CA 1.463 0.462 0 N-CA-C 110.901 -0.879 . . . . 0.0 110.901 178.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . 0.555 ' CD1' ' SD ' ' B' ' 85' ' ' MET . 11.4 m-85 -62.12 -43.11 99.54 Favored 'General case' 0 CA--C 1.514 -0.422 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 174.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.481 ' N ' ' O ' ' B' ' 41' ' ' LEU . 2.4 tp -59.49 -48.5 81.4 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.122 179.626 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -59.81 -44.72 93.86 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-O 120.936 0.398 . . . . 0.0 110.467 -178.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . 0.531 ' HB3' ' SD ' ' B' ' 85' ' ' MET . . . -67.45 -38.63 84.79 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.727 175.214 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.538 ' HG2' ' SD ' ' B' ' 85' ' ' MET . 0.1 OUTLIER -65.27 -27.16 68.44 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 114.39 1.255 . . . . 0.0 114.39 -174.11 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.477 ' HG3' ' O ' ' B' ' 45' ' ' LEU . 23.5 mtpp -56.91 -42.72 80.45 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 120.337 -0.545 . . . . 0.0 111.046 -170.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -67.72 -21.31 65.3 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.434 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' B' ' 53' ' ' ALA . 51.1 t -69.84 -20.38 23.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.413 -174.521 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.418 ' OD1' ' NZ ' ' B' ' 56' ' ' LYS . 41.2 t0 66.76 -51.44 0.46 Allowed 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 121.085 0.469 . . . . 0.0 110.531 -177.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . 0.472 ' O ' ' N ' ' B' ' 57' ' ' VAL . . . -53.62 -24.98 15.71 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.012 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 7.6 p -56.24 -43.93 78.0 Favored 'Isoleucine or valine' 0 C--O 1.241 0.612 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 178.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.477 ' CG ' ' HZ1' ' B' ' 59' ' ' LYS . 32.9 t70 -60.59 -45.28 94.56 Favored 'General case' 0 CA--C 1.503 -0.838 0 CA-C-O 121.471 0.653 . . . . 0.0 109.752 175.51 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . 0.418 ' NZ ' ' OD1' ' B' ' 52' ' ' ASP . 60.8 mttp -66.52 -40.37 89.12 Favored 'General case' 0 C--N 1.307 -1.268 0 CA-C-N 114.625 -1.17 . . . . 0.0 111.774 -178.079 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . 0.472 ' N ' ' O ' ' B' ' 53' ' ' ALA . 93.0 t -64.21 -46.15 94.25 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.603 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 176.052 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' MET . . . . . 0.463 ' O ' ' N ' ' B' ' 62' ' ' ASP . 64.9 ttp -60.06 -36.92 78.39 Favored 'General case' 0 N--CA 1.434 -1.239 0 CA-C-N 114.383 -1.28 . . . . 0.0 108.975 173.507 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . 0.477 ' HZ1' ' CG ' ' B' ' 55' ' ' ASP . 0.3 OUTLIER -62.3 -41.71 98.75 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.02 179.633 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -60.25 -41.27 92.85 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.463 -0.939 . . . . 0.0 108.463 177.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.506 ' O ' ' HB3' ' B' ' 64' ' ' ASN . 2.7 mm? -63.85 -37.62 88.06 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.058 171.625 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.463 ' N ' ' O ' ' B' ' 58' ' ' MET . 26.1 t70 -61.35 -36.23 79.61 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.302 -179.211 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 76.7 mt-10 -51.85 -44.32 63.6 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 107.26 -1.385 . . . . 0.0 107.26 175.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.619 ' C ' ' H ' ' B' ' 66' ' ' ASP . 0.4 OUTLIER -60.21 -4.58 0.84 Allowed 'General case' 0 N--CA 1.435 -1.207 0 CA-C-N 113.579 -1.646 . . . . 0.0 111.972 -178.259 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.58 8.31 0.03 OUTLIER Glycine 0 CA--C 1.535 1.343 0 N-CA-C 111.663 -0.575 . . . . 0.0 111.663 176.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.619 ' H ' ' C ' ' B' ' 64' ' ' ASN . 14.2 t70 -57.92 -37.46 74.09 Favored 'General case' 0 CA--C 1.51 -0.563 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 176.596 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -159.17 -90.35 0.08 OUTLIER Glycine 0 C--N 1.317 -0.512 0 N-CA-C 110.509 -1.036 . . . . 0.0 110.509 177.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.472 ' O ' ' ND2' ' B' ' 64' ' ' ASN . 1.4 mp0 -121.87 171.58 8.81 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-O 120.663 0.268 . . . . 0.0 110.538 -178.704 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.408 ' HA ' HD22 ' B' ' 64' ' ' ASN . 1.2 p -119.47 128.3 75.86 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.949 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 171.766 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.403 ' O ' ' N ' ' B' ' 74' ' ' TYR . 0.0 OUTLIER -93.52 -176.7 4.17 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.635 -0.426 . . . . 0.0 111.118 -175.324 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.426 ' CE2' HD12 ' B' ' 12' ' ' ILE . 59.4 t80 -60.5 -45.4 93.92 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 -178.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . 0.431 ' O ' HG22 ' B' ' 75' ' ' VAL . 25.1 mt-30 -60.17 -42.05 94.15 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.152 178.251 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -68.33 -41.78 80.27 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-O 121.139 0.495 . . . . 0.0 110.541 174.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . 0.403 ' N ' ' O ' ' B' ' 70' ' ' ASP . 30.3 t80 -61.7 -47.98 82.84 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 178.489 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . 0.431 HG22 ' O ' ' B' ' 72' ' ' GLN . 16.5 m -63.55 -40.13 87.89 Favored 'Isoleucine or valine' 0 C--O 1.238 0.489 0 C-N-CA 119.938 -0.705 . . . . 0.0 112.02 -177.321 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 12.1 p -63.85 -35.46 73.3 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 C-N-CA 120.266 -0.574 . . . . 0.0 110.968 -179.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 51.1 tp -61.14 -49.21 78.15 Favored 'General case' 0 CA--C 1.512 -0.485 0 C-N-CA 120.791 -0.363 . . . . 0.0 110.376 178.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 19.3 m -69.43 -42.53 81.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 C-N-CA 120.148 -0.621 . . . . 0.0 110.505 177.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.05 -44.19 93.23 Favored 'General case' 0 CA--C 1.508 -0.644 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.56 -179.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . 0.413 ' O ' HG13 ' B' ' 83' ' ' VAL . . . -61.69 -43.2 99.31 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 -179.783 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 95.9 mt -63.26 -41.61 99.07 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.473 174.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.495 ' O ' ' N ' ' B' ' 86' ' ' ASN . 19.9 m -61.23 -47.56 85.5 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.812 177.03 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . 0.418 ' HA ' ' HB3' ' B' ' 86' ' ' ASN . 0.3 OUTLIER -62.45 -42.83 97.16 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.724 0 C-N-CA 120.287 -0.565 . . . . 0.0 110.44 -179.261 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -56.88 -53.47 57.58 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.229 177.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 85' ' ' MET . . . . . 0.555 ' SD ' ' CD1' ' B' ' 44' ' ' PHE . 79.0 mtp -65.06 -39.7 93.66 Favored 'General case' 0 CA--C 1.512 -0.488 0 C-N-CA 120.149 -0.62 . . . . 0.0 111.61 174.595 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . 0.58 ' OD1' ' NE2' ' A' ' 16' ' ' HIS . 28.3 t30 -59.16 -44.64 92.12 Favored 'General case' 0 CA--C 1.501 -0.924 0 C-N-CA 120.462 -0.495 . . . . 0.0 109.938 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . 0.414 ' OD1' ' CZ ' ' A' ' 26' ' ' TYR . 38.2 t30 -64.84 -41.98 95.28 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 174.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -60.29 -44.0 95.77 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.759 178.153 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.54 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.548 -178.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 m . . . . . 0 C--O 1.24 0.596 0 CA-C-O 120.97 0.414 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 7' ' ' ALA . 1.9 mp0 -55.51 -40.45 71.8 Favored 'General case' 0 CA--C 1.505 -0.769 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 176.361 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.473 ' O ' ' HG2' ' A' ' 8' ' ' MET . 4.0 mm? -61.71 -45.37 94.27 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.081 -0.963 . . . . 0.0 108.744 -178.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -65.81 -45.46 82.25 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.791 179.191 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 18.6 m -63.25 -45.87 89.52 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.368 176.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 3' ' ' GLU . . . -56.47 -49.2 75.33 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 178.321 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.473 ' HG2' ' O ' ' A' ' 4' ' ' LEU . 95.8 mmm -64.59 -41.33 96.33 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.528 177.514 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -64.47 -38.96 92.85 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 120.321 -0.552 . . . . 0.0 110.255 179.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 11.6 m -57.22 -43.54 82.91 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 178.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.427 HD12 ' SD ' ' B' ' 8' ' ' MET . 85.5 mt -62.82 -40.85 98.66 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.713 175.067 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.44 HD12 ' CE2' ' A' ' 71' ' ' PHE . 17.9 mm -62.25 -43.55 98.1 Favored 'Isoleucine or valine' 0 C--O 1.238 0.461 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 178.401 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -60.86 -44.99 96.29 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 -177.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 91.7 t -67.41 -43.65 87.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.094 177.032 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -58.37 -47.93 82.26 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.308 -177.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.481 ' NE2' ' OD1' ' B' ' 86' ' ' ASN . 52.3 m-70 -62.18 -35.7 79.64 Favored 'General case' 0 CA--C 1.506 -0.725 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.961 177.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.81 -50.72 60.25 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -69.68 -39.64 76.87 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.894 176.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.432 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 26.7 m -52.42 -37.04 55.77 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 119.769 -0.773 . . . . 0.0 110.231 179.057 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -56.65 -25.33 50.72 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 110.69 -0.964 . . . . 0.0 110.69 177.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.7 mmtp -65.12 -41.46 94.83 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.989 0.423 . . . . 0.0 110.301 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.532 ' CD ' ' HG ' ' A' ' 29' ' ' SER . 8.3 pt-20 -115.09 -28.19 7.07 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.106 -0.952 . . . . 0.0 112.316 -170.651 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.465 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . 85.92 -121.47 5.7 Favored Glycine 0 CA--C 1.525 0.701 0 C-N-CA 121.341 -0.457 . . . . 0.0 112.523 177.274 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.1 t70 63.58 -68.03 0.09 Allowed 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 -172.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -178.99 -87.88 0.0 OUTLIER 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 114.98 -1.009 . . . . 0.0 109.09 172.233 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.443 ' CD1' ' N ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -113.88 94.76 4.98 Favored 'General case' 0 CA--C 1.499 -0.982 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 171.551 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.432 ' O ' ' HA ' ' A' ' 19' ' ' SER . 6.9 mmtp -141.41 155.69 45.87 Favored 'General case' 0 CA--C 1.482 -1.658 0 CA-C-N 115.444 -0.798 . . . . 0.0 112.56 -177.055 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.534 ' O ' ' N ' ' A' ' 69' ' ' VAL . 41.2 tp -136.96 117.45 13.76 Favored 'General case' 0 N--CA 1.414 -2.238 0 CA-C-N 114.159 -1.382 . . . . 0.0 108.042 173.023 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.532 ' HG ' ' CD ' ' A' ' 22' ' ' GLU . 23.3 m -85.65 158.39 20.09 Favored 'General case' 0 C--N 1.304 -1.384 0 CA-C-O 121.039 0.447 . . . . 0.0 110.574 -177.003 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.53 -5.81 9.04 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.348 -178.517 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -79.22 -57.33 3.78 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 175.698 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -70.71 -37.98 73.59 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.128 -0.942 . . . . 0.0 111.266 178.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.412 ' HB2' ' HG ' ' A' ' 28' ' ' LEU . 2.0 tm? -58.99 -45.77 89.8 Favored 'General case' 0 CA--C 1.513 -0.444 0 C-N-CA 120.917 -0.313 . . . . 0.0 111.43 -172.644 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.468 ' HG3' ' N ' ' A' ' 35' ' ' GLU . 65.0 pttt -60.62 -46.08 91.61 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 119.859 -0.736 . . . . 0.0 110.061 -178.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.468 ' N ' ' HG3' ' A' ' 34' ' ' LYS . 99.1 mt-10 -66.32 -44.83 82.28 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.611 177.232 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.3 tp -60.67 -49.56 77.01 Favored 'General case' 0 C--N 1.309 -1.181 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.748 -179.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -63.69 -47.26 81.9 Favored 'General case' 0 C--N 1.315 -0.896 0 C-N-CA 119.902 -0.719 . . . . 0.0 111.372 -176.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -66.6 -42.16 87.34 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.186 0.517 . . . . 0.0 110.726 178.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 77.0 m -63.16 -50.41 70.48 Favored 'General case' 0 N--CA 1.438 -1.035 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.485 -177.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.478 ' CD ' ' HG ' ' B' ' 2' ' ' SER . 75.4 mm-40 -75.48 -42.31 53.35 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -175.572 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 45' ' ' LEU . 10.8 mp -95.59 39.32 1.13 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.906 0.384 . . . . 0.0 110.773 -177.472 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 36.6 p -54.38 -43.52 71.46 Favored 'General case' 0 C--N 1.312 -1.065 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.281 -175.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -66.93 -44.61 88.47 Favored Glycine 0 C--O 1.236 0.275 0 N-CA-C 111.524 -0.63 . . . . 0.0 111.524 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.43 ' O ' ' HG2' ' A' ' 48' ' ' GLN . 33.3 m-85 -71.14 -38.55 72.24 Favored 'General case' 0 CA--C 1.501 -0.919 0 CA-C-O 121.387 0.613 . . . . 0.0 109.595 178.194 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 41' ' ' LEU . 45.0 tp -60.42 -44.61 95.57 Favored 'General case' 0 N--CA 1.436 -1.17 0 CA-C-N 115.053 -0.976 . . . . 0.0 111.256 -179.063 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.429 ' HA ' ' HE2' ' A' ' 49' ' ' LYS . 33.9 t70 -55.21 -45.59 75.92 Favored 'General case' 0 C--N 1.318 -0.772 0 C-N-CA 120.165 -0.614 . . . . 0.0 110.415 -177.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.39 -40.24 81.44 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.377 176.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.43 ' HG2' ' O ' ' A' ' 44' ' ' PHE . 62.5 mm-40 -63.52 -19.77 65.05 Favored 'General case' 0 CA--C 1.514 -0.43 0 N-CA-C 112.994 0.738 . . . . 0.0 112.994 -177.472 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.429 ' HE2' ' HA ' ' A' ' 46' ' ' ASP . 36.1 mtmt -57.8 -35.61 71.07 Favored 'General case' 0 C--N 1.312 -1.065 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 178.13 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -94.57 13.04 25.39 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.448 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.404 ' O ' HG11 ' A' ' 54' ' ' VAL . 72.5 t -117.51 131.91 68.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.997 0.427 . . . . 0.0 110.67 -178.253 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -65.23 -38.94 91.96 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.661 178.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -48.94 -45.29 41.52 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.928 -0.578 . . . . 0.0 112.384 -172.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.443 ' O ' ' HG3' ' A' ' 58' ' ' MET . 7.4 p -59.49 -39.34 78.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 C-N-CA 120.418 -0.513 . . . . 0.0 110.843 -176.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -55.47 -49.17 73.2 Favored 'General case' 0 CA--C 1.508 -0.655 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 178.286 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.438 ' O ' ' HB3' ' A' ' 59' ' ' LYS . 66.6 mttm -65.04 -38.6 91.42 Favored 'General case' 0 C--N 1.309 -1.172 0 CA-C-N 114.414 -1.266 . . . . 0.0 111.543 176.813 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 84.7 t -62.1 -44.44 99.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 -179.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.443 ' HG3' ' O ' ' A' ' 54' ' ' VAL . 3.9 mtm -59.54 -39.81 85.19 Favored 'General case' 0 CA--C 1.507 -0.686 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 178.216 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.438 ' HB3' ' O ' ' A' ' 56' ' ' LYS . 0.0 OUTLIER -62.99 -40.1 96.74 Favored 'General case' 0 C--N 1.308 -1.229 0 CA-C-N 114.085 -1.416 . . . . 0.0 111.19 -179.56 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -66.02 -44.39 84.84 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.221 0.534 . . . . 0.0 110.343 178.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.473 ' CD1' ' HB3' ' A' ' 73' ' ' GLU . 3.1 mm? -64.21 -38.98 93.0 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.798 176.556 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -59.0 -34.62 72.06 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.233 -0.894 . . . . 0.0 112.322 -172.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.4 ' OE2' ' NZ ' ' A' ' 59' ' ' LYS . 80.1 mm-40 -51.7 -64.74 0.72 Allowed 'General case' 0 CA--C 1.509 -0.623 0 C-N-CA 120.394 -0.523 . . . . 0.0 110.226 -178.188 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.427 ' O ' ' N ' ' A' ' 66' ' ' ASP . 0.1 OUTLIER -65.87 -36.72 84.22 Favored 'General case' 0 CA--C 1.498 -1.026 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.688 177.329 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.1 52.75 0.06 OUTLIER Glycine 0 N--CA 1.446 -0.653 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 -178.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 64' ' ' ASN . 25.7 t70 -59.71 -40.98 89.76 Favored 'General case' 0 CA--C 1.501 -0.94 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 175.405 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -150.84 -40.0 0.03 OUTLIER Glycine 0 C--N 1.303 -1.252 0 N-CA-C 109.293 -1.523 . . . . 0.0 109.293 175.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.476 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 18.9 mt-10 -115.6 152.48 33.01 Favored 'General case' 0 N--CA 1.439 -1.019 0 CA-C-N 115.328 -0.436 . . . . 0.0 110.547 179.295 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.534 ' N ' ' O ' ' A' ' 28' ' ' LEU . 2.5 p -132.73 133.03 59.62 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.397 0 N-CA-C 106.8 -1.556 . . . . 0.0 106.8 174.254 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.11 -177.79 4.58 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 120.005 -0.678 . . . . 0.0 112.316 -172.412 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.44 ' CE2' HD12 ' A' ' 12' ' ' ILE . 66.7 t80 -61.03 -44.36 97.51 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.582 -178.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.434 ' O ' HG23 ' A' ' 75' ' ' VAL . 49.6 mt-30 -59.38 -40.76 87.56 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.265 0.555 . . . . 0.0 109.55 -179.493 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.473 ' HB3' ' CD1' ' A' ' 61' ' ' LEU . 99.3 mt-10 -72.25 -40.74 67.48 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.297 175.746 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -60.4 -45.71 92.61 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.995 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 72' ' ' GLN . 19.7 m -63.8 -43.02 97.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 C-N-CA 120.752 -0.379 . . . . 0.0 111.963 -177.833 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 32.0 m -65.99 -36.33 77.23 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.689 0 CA-C-O 120.936 0.398 . . . . 0.0 110.69 179.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 56.6 tp -60.91 -48.43 81.83 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.006 -179.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 11.9 m -72.9 -41.28 60.66 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.907 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.325 176.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.58 -42.49 99.59 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.016 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.456 ' HB1' ' NE2' ' B' ' 72' ' ' GLN . . . -56.06 -47.65 77.53 Favored 'General case' 0 CA--C 1.514 -0.413 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 179.45 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 92.3 mt -63.17 -41.03 99.16 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.637 176.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 21.0 m -61.36 -50.59 72.28 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.748 -179.066 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 14.6 p -64.02 -42.98 97.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 C-N-CA 119.823 -0.751 . . . . 0.0 110.355 178.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.08 -52.19 66.27 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.152 177.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 85.5 mmm -66.37 -42.68 87.62 Favored 'General case' 0 CA--C 1.515 -0.381 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 176.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.485 ' O ' ' CD1' ' A' ' 90' ' ' TRP . 2.2 t-20 -63.29 -42.32 99.06 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 119.375 -0.93 . . . . 0.0 108.832 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -61.62 -39.54 91.63 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.941 175.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -60.14 -44.02 95.26 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.206 174.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -59.1 -43.26 91.86 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.299 178.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . 0.485 ' CD1' ' O ' ' A' ' 86' ' ' ASN . 63.1 m95 . . . . . 0 C--N 1.33 -0.264 0 C-N-CA 120.051 -0.659 . . . . 0.0 112.252 -177.333 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 2' ' ' SER . . . . . 0.478 ' HG ' ' CD ' ' A' ' 40' ' ' GLU . 16.8 m . . . . . 0 N--CA 1.451 -0.404 0 CA-C-O 120.891 0.377 . . . . 0.0 111.109 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -56.83 -26.88 59.26 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 175.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.434 ' O ' ' HG2' ' B' ' 8' ' ' MET . 51.5 mt -61.59 -42.01 98.25 Favored 'General case' 0 N--CA 1.441 -0.885 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.774 179.674 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -62.41 -40.94 98.17 Favored 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 178.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 7.4 m -63.6 -46.45 85.75 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 174.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.88 -46.59 84.64 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.309 -179.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' MET . . . . . 0.434 ' HG2' ' O ' ' B' ' 4' ' ' LEU . 94.5 mmm -63.8 -41.64 97.87 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.342 -0.543 . . . . 0.0 110.929 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' B' ' 13' ' ' ASN . 69.0 mt-10 -66.7 -35.63 80.59 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 119.534 -0.867 . . . . 0.0 110.674 174.779 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' THR . . . . . 0.458 ' HA ' HD21 ' B' ' 13' ' ' ASN . 12.6 m -57.95 -42.48 85.04 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 175.562 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 99.3 mt -62.37 -42.29 99.29 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 175.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.493 ' CG2' ' CD2' ' B' ' 16' ' ' HIS . 19.7 mm -63.22 -43.27 98.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 177.532 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . 0.458 HD21 ' HA ' ' B' ' 10' ' ' THR . 94.0 m-20 -60.37 -42.84 96.64 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.389 -175.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 99.6 t -64.33 -44.39 97.24 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.834 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 174.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -59.37 -47.85 83.85 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.982 -179.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.549 ' CE1' ' HB3' ' B' ' 26' ' ' TYR . 80.0 m-70 -59.22 -42.5 91.17 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.344 177.589 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.54 -48.53 71.89 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.701 -176.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.48 ' ND1' ' HB3' ' B' ' 32' ' ' GLU . 96.6 m-70 -68.6 -40.06 80.6 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.564 176.576 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 31.5 m -54.35 -34.14 60.5 Favored 'General case' 0 C--O 1.24 0.582 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 173.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.16 -33.22 78.9 Favored Glycine 0 CA--C 1.519 0.294 0 CA-C-N 115.08 -0.964 . . . . 0.0 110.725 175.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . 0.406 ' HB2' ' O ' ' B' ' 18' ' ' HIS . 21.6 mmtp -63.39 -44.85 93.52 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.833 0.349 . . . . 0.0 110.344 -177.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.402 ' HG3' ' H ' ' B' ' 24' ' ' ASP . 16.5 pt-20 -87.19 -39.33 15.58 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.705 -0.68 . . . . 0.0 112.058 -175.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 139.44 -24.15 2.8 Favored Glycine 0 CA--C 1.523 0.537 0 C-N-CA 120.498 -0.858 . . . . 0.0 112.714 177.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . 0.402 ' H ' ' HG3' ' B' ' 22' ' ' GLU . 7.4 t70 -71.39 152.94 42.68 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 117.253 0.526 . . . . 0.0 111.085 -178.208 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.464 ' H ' ' HD3' ' B' ' 25' ' ' LYS . 0.0 OUTLIER -67.59 -41.1 84.63 Favored 'General case' 0 C--O 1.245 0.858 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 174.58 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.549 ' HB3' ' CE1' ' B' ' 16' ' ' HIS . 1.6 p90 -153.92 93.08 1.61 Allowed 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.325 174.093 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.474 ' HZ2' ' CD ' ' B' ' 68' ' ' GLU . 3.8 mmmm -156.94 155.46 31.39 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 106.416 -1.698 . . . . 0.0 106.416 166.489 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.401 ' O ' ' CG1' ' B' ' 69' ' ' VAL . 51.2 tp -125.22 123.77 40.27 Favored 'General case' 0 C--N 1.298 -1.633 0 C-N-CA 119.412 -0.915 . . . . 0.0 110.937 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 7.5 p -88.96 167.48 13.16 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-O 121.171 0.51 . . . . 0.0 110.656 176.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.478 ' NZ ' ' O ' ' B' ' 65' ' ' GLY . 0.0 OUTLIER -72.61 -5.29 36.27 Favored 'General case' 0 C--N 1.311 -1.085 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 176.087 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 62.9 mttm -61.85 -42.07 98.59 Favored 'General case' 0 CA--C 1.505 -0.781 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.48 ' HB3' ' ND1' ' B' ' 18' ' ' HIS . 56.2 mm-40 -109.76 -35.19 6.25 Favored 'General case' 0 N--CA 1.437 -1.082 0 CA-C-N 114.141 -1.39 . . . . 0.0 111.255 -173.695 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.438 ' CD1' ' C ' ' B' ' 33' ' ' LEU . 2.5 tm? -57.1 -48.64 78.13 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 120.449 -0.5 . . . . 0.0 111.977 -168.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.472 ' NZ ' ' O ' ' B' ' 30' ' ' LYS . 25.3 pttm -64.61 -39.06 93.04 Favored 'General case' 0 C--N 1.314 -0.969 0 C-N-CA 119.67 -0.812 . . . . 0.0 110.837 179.492 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . 0.421 ' O ' ' HG2' ' B' ' 38' ' ' GLN . 60.6 mm-40 -69.27 -49.92 51.65 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 109.098 -0.705 . . . . 0.0 109.098 179.423 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.456 ' HB3' ' O ' ' B' ' 32' ' ' GLU . 0.1 OUTLIER -63.58 -46.29 86.53 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-N 115.714 -0.675 . . . . 0.0 112.185 178.273 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.443 ' N ' ' HG ' ' B' ' 36' ' ' LEU . 2.8 tm? -62.15 -46.8 87.39 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 120.682 -0.407 . . . . 0.0 111.004 -175.248 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.421 ' HG2' ' O ' ' B' ' 35' ' ' GLU . 8.6 pt20 -66.22 -41.56 89.93 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 119.857 -0.737 . . . . 0.0 110.134 176.737 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 91.6 m -65.11 -54.25 32.8 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.791 -0.64 . . . . 0.0 112.523 -177.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . 0.408 ' HB3' ' HB2' ' A' ' 4' ' ' LEU . 77.2 mm-40 -70.56 -37.83 74.06 Favored 'General case' 0 CA--C 1.511 -0.553 0 C-N-CA 119.985 -0.686 . . . . 0.0 112.26 -175.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 10.3 mp -95.1 34.57 1.37 Allowed 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.454 179.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 75.7 m -53.51 -43.38 68.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.611 -177.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -64.53 -47.02 88.43 Favored Glycine 0 C--N 1.321 -0.301 0 N-CA-C 110.769 -0.932 . . . . 0.0 110.769 178.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . 0.544 ' HA ' ' SD ' ' B' ' 85' ' ' MET . 74.2 m-85 -64.58 -42.62 95.49 Favored 'General case' 0 CA--C 1.509 -0.618 0 CA-C-O 121.077 0.465 . . . . 0.0 110.058 177.627 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.479 ' O ' ' N ' ' B' ' 49' ' ' LYS . 2.3 tp -61.07 -46.87 88.92 Favored 'General case' 0 N--CA 1.44 -0.933 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.557 177.192 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -63.81 -40.75 97.39 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-O 120.949 0.404 . . . . 0.0 110.685 176.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . 0.531 ' CB ' ' SD ' ' B' ' 85' ' ' MET . . . -66.87 -36.21 81.8 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.073 179.28 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 41.2 mm-40 -110.65 11.85 22.73 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.863 -174.044 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' B' ' 45' ' ' LEU . 0.0 OUTLIER -59.58 -45.03 93.06 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.333 0.587 . . . . 0.0 110.069 -177.545 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -94.34 20.77 7.79 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 115.057 -0.974 . . . . 0.0 110.404 -177.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . 0.421 ' O ' HG12 ' B' ' 54' ' ' VAL . 64.8 t -112.57 133.5 58.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.015 -177.083 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -59.16 -34.77 72.48 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.621 -175.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.96 -35.44 61.79 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.885 -176.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . 0.421 HG12 ' O ' ' B' ' 51' ' ' VAL . 7.7 p -58.47 -42.15 83.58 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 C-N-CA 119.815 -0.754 . . . . 0.0 109.871 -177.118 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.429 ' O ' ' N ' ' B' ' 59' ' ' LYS . 31.6 t70 -59.87 -50.15 74.91 Favored 'General case' 0 CA--C 1.506 -0.717 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.025 175.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 36.6 mttm -62.84 -43.41 98.88 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-N 115.169 -0.923 . . . . 0.0 111.221 -176.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 78.0 t -67.96 -46.25 82.23 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 CA-C-O 121.934 0.873 . . . . 0.0 109.355 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 67.3 ttp -67.26 -41.15 86.02 Favored 'General case' 0 C--N 1.305 -1.327 0 CA-C-N 114.64 -1.164 . . . . 0.0 111.878 178.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' B' ' 55' ' ' ASP . 24.1 tptp -54.25 -59.03 5.21 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.587 0.588 . . . . 0.0 112.587 -171.156 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -67.25 -40.25 86.24 Favored 'General case' 0 CA--C 1.515 -0.399 0 C-N-CA 119.625 -0.83 . . . . 0.0 111.6 -178.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -62.35 -42.2 99.2 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.36 -0.536 . . . . 0.0 110.315 178.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -63.11 -44.69 94.95 Favored 'General case' 0 N--CA 1.446 -0.639 0 C-N-CA 119.794 -0.762 . . . . 0.0 110.75 177.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -66.28 -42.11 88.89 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.179 0.514 . . . . 0.0 109.979 177.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.521 ' C ' ' H ' ' B' ' 66' ' ' ASP . 89.5 m-20 -61.68 -40.86 96.45 Favored 'General case' 0 CA--C 1.502 -0.901 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.358 178.667 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . 0.478 ' O ' ' NZ ' ' B' ' 30' ' ' LYS . . . -71.04 46.31 0.76 Allowed Glycine 0 N--CA 1.447 -0.61 0 N-CA-C 109.569 -1.412 . . . . 0.0 109.569 176.364 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.521 ' H ' ' C ' ' B' ' 64' ' ' ASN . 42.4 t0 -61.97 -35.0 77.17 Favored 'General case' 0 CA--C 1.502 -0.866 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -127.68 -53.44 0.13 Allowed Glycine 0 C--N 1.313 -0.719 0 N-CA-C 109.879 -1.288 . . . . 0.0 109.879 177.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.474 ' CD ' ' HZ2' ' B' ' 27' ' ' LYS . 39.7 mt-10 -138.72 157.94 45.16 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 122.61 0.364 . . . . 0.0 110.402 -179.289 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.401 ' CG1' ' O ' ' B' ' 28' ' ' LEU . 2.4 p -121.49 125.89 74.14 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.999 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 169.484 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.555 ' CG ' ' N ' ' B' ' 71' ' ' PHE . 0.6 OUTLIER -93.21 174.37 7.25 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 122.174 -0.329 . . . . 0.0 111.646 -173.742 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.555 ' N ' ' CG ' ' B' ' 70' ' ' ASP . 72.3 t80 -59.42 -46.14 89.57 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 120.727 0.299 . . . . 0.0 110.872 -175.187 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . 0.456 ' NE2' ' HB1' ' A' ' 80' ' ' ALA . 7.5 mm100 -58.89 -39.29 80.99 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.337 0.589 . . . . 0.0 110.172 178.586 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -70.1 -41.79 73.55 Favored 'General case' 0 C--N 1.307 -1.242 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.749 176.123 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 28.3 t80 -61.46 -48.38 81.4 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.571 -0.74 . . . . 0.0 112.181 179.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . 0.401 HG23 ' O ' ' B' ' 72' ' ' GLN . 13.8 m -63.4 -42.75 97.42 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 C-N-CA 120.337 -0.545 . . . . 0.0 112.438 -177.781 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 11.8 p -64.57 -37.39 79.94 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.717 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 66.7 tp -61.14 -47.74 84.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.669 -179.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 19.7 m -70.54 -42.15 78.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 C-N-CA 120.254 -0.578 . . . . 0.0 110.91 176.15 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.88 -46.01 92.28 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.691 -178.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . 0.459 ' O ' HG12 ' B' ' 83' ' ' VAL . . . -61.97 -39.78 93.32 Favored 'General case' 0 N--CA 1.445 -0.721 0 C-N-CA 120.173 -0.611 . . . . 0.0 109.741 -179.472 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 97.9 mt -63.32 -41.51 98.92 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 172.233 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.459 ' HA ' ' CE1' ' B' ' 44' ' ' PHE . 17.7 m -62.11 -50.32 72.36 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.351 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . 0.459 HG12 ' O ' ' B' ' 80' ' ' ALA . 1.4 p -63.48 -41.17 91.73 Favored 'Isoleucine or valine' 0 C--O 1.238 0.464 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.208 179.012 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -56.66 -50.93 70.62 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.333 178.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 85' ' ' MET . . . . . 0.544 ' SD ' ' HA ' ' B' ' 44' ' ' PHE . 34.6 ttp -66.37 -40.1 89.54 Favored 'General case' 0 CA--C 1.51 -0.587 0 C-N-CA 120.029 -0.668 . . . . 0.0 109.452 177.563 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . 0.481 ' OD1' ' NE2' ' A' ' 16' ' ' HIS . 2.3 t-20 -62.0 -40.07 94.39 Favored 'General case' 0 N--CA 1.446 -0.651 0 C-N-CA 120.285 -0.566 . . . . 0.0 110.063 -177.801 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -59.77 -42.77 94.04 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 174.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -60.12 -44.59 94.76 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.763 172.044 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 3.8 t80 . . . . . 0 C--N 1.312 -1.032 0 CA-C-N 115.241 -0.891 . . . . 0.0 111.093 -170.162 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 m . . . . . 0 C--O 1.239 0.515 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.514 ' O ' ' N ' ' A' ' 7' ' ' ALA . 56.4 mp0 -57.94 -43.39 86.33 Favored 'General case' 0 CA--C 1.514 -0.435 0 C-N-CA 120.526 -0.47 . . . . 0.0 110.068 -177.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.434 ' CD2' HG22 ' B' ' 14' ' ' VAL . 2.0 mm? -63.19 -43.12 99.07 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 178.744 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 64.4 mt-10 -64.45 -45.59 86.79 Favored 'General case' 0 C--N 1.311 -1.065 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 178.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 10' ' ' THR . 10.8 m -60.95 -44.44 97.28 Favored 'General case' 0 N--CA 1.44 -0.951 0 CA-C-N 115.134 -0.939 . . . . 0.0 109.271 175.329 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.514 ' N ' ' O ' ' A' ' 3' ' ' GLU . . . -55.86 -48.91 74.7 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 176.642 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.472 ' SD ' HD11 ' B' ' 11' ' ' LEU . 96.2 mmm -64.54 -41.18 96.5 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.302 -0.559 . . . . 0.0 110.266 178.083 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.01 -38.77 89.87 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 176.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 6' ' ' THR . 10.7 m -59.77 -44.4 93.9 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 108.018 -1.105 . . . . 0.0 108.018 177.707 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.559 HD12 ' SD ' ' B' ' 8' ' ' MET . 94.5 mt -63.0 -40.9 99.16 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.745 175.069 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.522 ' O ' ' N ' ' A' ' 16' ' ' HIS . 26.5 mm -62.37 -44.4 99.17 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.67 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 177.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -60.4 -43.21 96.91 Favored 'General case' 0 CA--C 1.5 -0.957 0 C-N-CA 120.383 -0.527 . . . . 0.0 110.306 -178.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.571 HG23 ' CD2' ' B' ' 4' ' ' LEU . 94.2 t -66.54 -48.09 81.57 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.084 0 C-N-CA 120.492 -0.483 . . . . 0.0 110.028 176.661 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.474 ' CE2' ' HB2' ' A' ' 28' ' ' LEU . 61.8 t80 -59.21 -48.32 82.06 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.521 0.677 . . . . 0.0 109.38 177.005 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.522 ' N ' ' O ' ' A' ' 12' ' ' ILE . 0.9 OUTLIER -59.39 -46.6 88.21 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 114.897 -1.047 . . . . 0.0 109.836 -179.891 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.81 -47.85 81.63 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.707 179.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -66.49 -35.36 80.06 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.655 -0.418 . . . . 0.0 111.906 -179.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 69.8 m -56.1 -41.22 74.89 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 170.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.1 -39.04 96.81 Favored Glycine 0 C--O 1.24 0.503 0 N-CA-C 110.629 -0.989 . . . . 0.0 110.629 174.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -62.53 -46.49 88.17 Favored 'General case' 0 CA--C 1.519 -0.241 0 N-CA-C 109.697 -0.482 . . . . 0.0 109.697 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.544 ' CD ' ' H ' ' A' ' 29' ' ' SER . 98.9 mt-10 -70.42 -38.4 74.59 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 176.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 122.64 -14.97 8.57 Favored Glycine 0 N--CA 1.462 0.389 0 CA-C-N 115.955 -0.566 . . . . 0.0 112.056 176.115 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -70.15 141.98 52.58 Favored 'General case' 0 CA--C 1.51 -0.584 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.191 178.36 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.443 ' HG3' ' CE1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -61.23 -41.14 96.36 Favored 'General case' 0 N--CA 1.445 -0.714 0 C-N-CA 120.691 -0.403 . . . . 0.0 110.048 179.308 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.443 ' CE1' ' HG3' ' A' ' 25' ' ' LYS . 0.1 OUTLIER -154.89 93.6 1.57 Allowed 'General case' 0 C--O 1.239 0.545 0 CA-C-O 121.125 0.488 . . . . 0.0 111.4 170.063 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.7 mmtm -163.51 158.94 21.45 Favored 'General case' 0 CA--C 1.503 -0.842 0 CA-C-N 114.362 -1.29 . . . . 0.0 109.559 173.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.474 ' HB2' ' CE2' ' A' ' 15' ' ' PHE . 41.9 tp -124.79 127.11 46.69 Favored 'General case' 0 C--N 1.308 -1.21 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 169.788 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.544 ' H ' ' CD ' ' A' ' 22' ' ' GLU . 2.0 m -100.39 -179.71 4.19 Favored 'General case' 0 C--N 1.309 -1.173 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 -179.76 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.564 ' NZ ' ' O ' ' A' ' 61' ' ' LEU . 10.0 mmmm -74.13 -4.77 37.75 Favored 'General case' 0 C--N 1.314 -0.955 0 O-C-N 121.959 -0.463 . . . . 0.0 111.924 -177.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.97 -73.87 0.29 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.072 0.463 . . . . 0.0 110.389 -178.166 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.424 ' O ' ' HB3' ' A' ' 36' ' ' LEU . 68.7 mm-40 -62.18 -32.6 73.25 Favored 'General case' 0 CA--C 1.508 -0.646 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.958 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -57.95 -43.71 86.54 Favored 'General case' 0 C--N 1.319 -0.759 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.305 -175.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.42 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 5.3 mtmp? -64.34 -47.85 77.79 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 119.698 -0.801 . . . . 0.0 109.624 177.038 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.1 mm-40 -73.06 -46.6 50.74 Favored 'General case' 0 CA--C 1.505 -0.776 0 CA-C-N 114.935 -1.029 . . . . 0.0 111.316 -171.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.505 ' HG ' ' N ' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -62.48 -43.46 98.77 Favored 'General case' 0 C--N 1.309 -1.162 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.292 179.681 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.505 ' N ' ' HG ' ' A' ' 36' ' ' LEU . 2.8 tm? -62.07 -47.34 85.12 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.129 -0.628 . . . . 0.0 110.603 -178.693 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.42 ' HG2' ' O ' ' A' ' 34' ' ' LYS . 14.5 pt20 -66.87 -41.04 87.95 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 119.927 -0.709 . . . . 0.0 110.443 176.497 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 91.0 m -63.61 -51.63 64.45 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.656 -177.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.496 ' CD ' ' HG ' ' B' ' 2' ' ' SER . 55.2 mm-40 -79.61 -39.96 30.4 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 113.488 0.921 . . . . 0.0 113.488 -172.431 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 11.0 mp -87.2 44.5 1.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.163 0.506 . . . . 0.0 109.999 179.224 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -54.61 -42.31 71.03 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.944 -174.414 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.412 ' N ' ' OE2' ' B' ' 5' ' ' GLU . . . -71.6 -46.5 39.2 Favored Glycine 0 C--O 1.242 0.655 0 N-CA-C 111.56 -0.616 . . . . 0.0 111.56 179.493 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.438 ' O ' ' HG3' ' A' ' 48' ' ' GLN . 40.1 m-85 -68.26 -39.44 82.22 Favored 'General case' 0 CA--C 1.493 -1.233 0 CA-C-O 120.631 0.253 . . . . 0.0 110.617 178.778 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.443 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 43.6 tp -59.19 -45.9 89.84 Favored 'General case' 0 N--CA 1.437 -1.11 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.685 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.58 ' O ' ' NZ ' ' A' ' 49' ' ' LYS . 17.5 t70 -59.85 -44.68 93.99 Favored 'General case' 0 C--N 1.313 -0.981 0 C-N-CA 119.962 -0.695 . . . . 0.0 111.34 178.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.651 ' HB1' ' SD ' ' A' ' 85' ' ' MET . . . -66.3 -41.14 90.16 Favored 'General case' 0 C--N 1.314 -0.971 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 -178.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.438 ' HG3' ' O ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -77.81 -3.22 40.33 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 -175.388 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.58 ' NZ ' ' O ' ' A' ' 46' ' ' ASP . 23.8 mtmm -59.82 -39.48 85.2 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.15 -0.62 . . . . 0.0 110.246 -174.651 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -102.58 21.76 14.74 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -177.199 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.512 ' O ' ' N ' ' A' ' 53' ' ' ALA . 9.7 t -110.84 2.33 8.96 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 CA-C-O 120.771 0.319 . . . . 0.0 111.795 -177.532 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.7 t70 58.39 -40.75 0.06 Allowed 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.603 0.761 . . . . 0.0 112.974 -179.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.512 ' N ' ' O ' ' A' ' 51' ' ' VAL . . . -45.92 -31.09 1.99 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.925 0.393 . . . . 0.0 110.839 -175.462 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.435 ' O ' ' CB ' ' A' ' 58' ' ' MET . 7.2 p -58.74 -42.97 86.79 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.902 0 C-N-CA 120.421 -0.512 . . . . 0.0 110.085 177.565 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -57.83 -51.57 69.04 Favored 'General case' 0 CA--C 1.502 -0.89 0 CA-C-O 121.486 0.66 . . . . 0.0 109.725 177.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 43.5 mmtm -66.82 -43.99 82.35 Favored 'General case' 0 C--N 1.309 -1.183 0 CA-C-N 114.771 -1.104 . . . . 0.0 110.611 -176.225 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.441 HG13 HD13 ' A' ' 77' ' ' LEU . 60.0 t -67.14 -44.41 87.93 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.524 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.711 177.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.435 ' CB ' ' O ' ' A' ' 54' ' ' VAL . 44.5 ttp -60.86 -41.26 95.54 Favored 'General case' 0 N--CA 1.432 -1.375 0 CA-C-N 115.34 -0.845 . . . . 0.0 109.886 177.441 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.524 ' O ' ' N ' ' A' ' 63' ' ' GLU . 13.7 tttm -63.73 -37.02 85.8 Favored 'General case' 0 N--CA 1.435 -1.214 0 C-N-CA 120.008 -0.677 . . . . 0.0 112.71 178.138 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -53.59 -42.09 67.26 Favored 'General case' 0 C--N 1.312 -1.054 0 C-N-CA 119.438 -0.905 . . . . 0.0 109.276 177.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.564 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . 2.3 mm? -64.47 -38.39 90.86 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.39 172.633 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.502 ' HB3' ' HG3' ' A' ' 59' ' ' LYS . 29.1 t70 -61.78 -39.75 92.78 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.536 174.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.524 ' N ' ' O ' ' A' ' 59' ' ' LYS . 72.0 mm-40 -58.82 -43.57 90.66 Favored 'General case' 0 CA--C 1.507 -0.68 0 N-CA-C 106.851 -1.536 . . . . 0.0 106.851 174.548 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.602 ' C ' ' H ' ' A' ' 66' ' ' ASP . 11.1 t-20 -64.3 -9.76 19.65 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 114.296 -1.32 . . . . 0.0 110.489 176.021 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . -58.53 1.73 0.26 Allowed Glycine 0 CA--C 1.518 0.273 0 N-CA-C 109.988 -1.245 . . . . 0.0 109.988 172.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.602 ' H ' ' C ' ' A' ' 64' ' ' ASN . 37.7 t70 -58.55 -42.31 87.56 Favored 'General case' 0 CA--C 1.5 -0.969 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 175.193 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -147.42 -90.9 0.1 OUTLIER Glycine 0 N--CA 1.443 -0.841 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.395 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -142.04 166.68 24.04 Favored 'General case' 0 C--O 1.239 0.541 0 C-N-CA 122.542 0.337 . . . . 0.0 111.444 -175.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -118.44 130.02 73.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.45 0.643 . . . . 0.0 110.421 179.011 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -97.05 -172.9 2.55 Favored 'General case' 0 CA--C 1.508 -0.665 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.492 -179.119 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.462 ' CD1' HD11 ' A' ' 12' ' ' ILE . 48.8 t80 -60.23 -44.38 95.25 Favored 'General case' 0 C--N 1.307 -1.244 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.541 -179.053 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -59.53 -46.0 90.13 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.086 0.469 . . . . 0.0 110.06 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -69.25 -37.21 77.84 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.397 0.617 . . . . 0.0 110.305 178.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 30.3 t80 -60.65 -48.0 83.75 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.728 175.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.444 HG23 ' N ' ' A' ' 76' ' ' VAL . 19.4 m -63.24 -41.9 94.47 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 C-N-CA 119.883 -0.727 . . . . 0.0 111.772 -178.333 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.458 ' O ' ' N ' ' A' ' 80' ' ' ALA . 12.7 p -64.22 -37.43 79.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 C-N-CA 120.118 -0.633 . . . . 0.0 110.872 -179.101 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.441 HD13 HG13 ' A' ' 57' ' ' VAL . 50.2 tp -61.13 -49.89 75.44 Favored 'General case' 0 CA--C 1.517 -0.312 0 C-N-CA 120.177 -0.609 . . . . 0.0 110.2 179.721 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 20.6 m -67.41 -42.73 87.62 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.645 0 C-N-CA 119.884 -0.727 . . . . 0.0 110.288 176.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.64 -43.29 99.18 Favored 'General case' 0 CA--C 1.506 -0.728 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.111 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 76' ' ' VAL . . . -58.24 -47.3 84.0 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 -179.711 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 89.5 mt -62.98 -42.12 99.75 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.92 175.119 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 18.1 m -61.99 -50.76 70.77 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.499 -179.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.418 ' O ' ' N ' ' A' ' 87' ' ' ASN . 8.1 p -66.28 -37.01 78.76 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.347 0 C-N-CA 120.208 -0.597 . . . . 0.0 110.859 177.706 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -58.56 -52.51 65.36 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.416 178.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' MET . . . . . 0.651 ' SD ' ' HB1' ' A' ' 47' ' ' ALA . 18.9 ttp -67.97 -43.67 78.47 Favored 'General case' 0 CA--C 1.51 -0.595 0 C-N-CA 119.672 -0.811 . . . . 0.0 109.504 176.664 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.541 ' O ' ' CD1' ' A' ' 90' ' ' TRP . 85.9 m-20 -64.74 -22.54 67.0 Favored 'General case' 0 CA--C 1.504 -0.821 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.844 -176.036 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.418 ' N ' ' O ' ' A' ' 83' ' ' VAL . 31.1 t-20 -45.82 -42.82 12.76 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 176.074 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -62.22 -44.57 96.27 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.564 173.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.51 ' N ' ' O ' ' A' ' 86' ' ' ASN . 0.3 OUTLIER -58.99 -48.4 81.71 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 -175.563 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . 0.557 ' CH2' HG22 ' B' ' 12' ' ' ILE . 6.1 m95 . . . . . 0 CA--C 1.508 -0.638 0 C-N-CA 118.815 -1.154 . . . . 0.0 108.49 -175.055 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 2' ' ' SER . . . . . 0.496 ' HG ' ' CD ' ' A' ' 40' ' ' GLU . 71.3 m . . . . . 0 N--CA 1.448 -0.553 0 CA-C-O 121.448 0.642 . . . . 0.0 112.399 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -55.89 -23.96 34.5 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.195 -179.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.571 ' CD2' HG23 ' A' ' 14' ' ' VAL . 1.2 mm? -60.23 -40.8 91.47 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 -179.437 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . 0.412 ' OE2' ' N ' ' A' ' 43' ' ' GLY . 94.1 mt-10 -60.4 -45.29 94.13 Favored 'General case' 0 N--CA 1.437 -1.077 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 179.486 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 11.1 m -61.95 -46.03 91.07 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 174.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.91 -50.66 70.08 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.19 178.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' MET . . . . . 0.559 ' SD ' HD12 ' A' ' 11' ' ' LEU . 95.6 mmm -65.4 -40.85 93.91 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.104 179.412 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 -64.58 -37.61 88.17 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.188 177.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 8.1 m -58.87 -44.44 91.08 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 178.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.472 HD11 ' SD ' ' A' ' 8' ' ' MET . 84.0 mt -62.21 -40.96 97.85 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.82 174.774 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.557 HG22 ' CH2' ' A' ' 90' ' ' TRP . 15.9 mm -62.41 -44.77 99.58 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.177 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 178.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 60.1 m-80 -62.53 -42.84 99.79 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.131 0.491 . . . . 0.0 109.838 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . 0.434 HG22 ' CD2' ' A' ' 4' ' ' LEU . 45.0 t -63.67 -47.25 92.05 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.188 175.364 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.453 ' CZ ' ' HA ' ' B' ' 70' ' ' ASP . 57.4 t80 -58.06 -45.14 87.57 Favored 'General case' 0 C--N 1.313 -1.011 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 178.254 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.433 ' CD2' ' CE3' ' A' ' 90' ' ' TRP . 0.9 OUTLIER -53.26 -48.33 68.37 Favored 'General case' 0 C--O 1.24 0.591 0 CA-C-N 114.824 -1.08 . . . . 0.0 109.93 178.51 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.82 -46.08 86.73 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.969 -178.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 84.7 m-70 -66.69 -38.8 87.5 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 -176.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 73.8 m -54.6 -42.44 71.11 Favored 'General case' 0 C--O 1.243 0.729 0 CA-C-O 121.469 0.652 . . . . 0.0 109.793 177.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.11 -37.43 93.91 Favored Glycine 0 C--N 1.317 -0.524 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.376 179.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 61.9 mttm -63.31 -45.01 93.31 Favored 'General case' 0 C--O 1.242 0.664 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -177.194 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.53 ' HG3' ' CG ' ' B' ' 32' ' ' GLU . 72.2 mt-10 -73.04 -43.4 62.04 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.343 -0.543 . . . . 0.0 109.673 177.187 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 143.9 -25.7 2.08 Favored Glycine 0 CA--C 1.522 0.53 0 C-N-CA 120.997 -0.62 . . . . 0.0 113.145 175.003 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -64.38 142.18 58.51 Favored 'General case' 0 CA--C 1.511 -0.558 0 CA-C-N 117.876 0.838 . . . . 0.0 111.127 -177.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.48 ' HD2' ' CE1' ' B' ' 26' ' ' TYR . 25.8 pttt -60.46 -44.17 96.13 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.32 177.645 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.48 ' CE1' ' HD2' ' B' ' 25' ' ' LYS . 1.2 p90 -156.82 90.72 1.16 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.349 170.073 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 25.6 mmmt -166.36 169.09 14.41 Favored 'General case' 0 CA--C 1.505 -0.763 0 C-N-CA 125.436 1.495 . . . . 0.0 107.078 171.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.455 ' HB3' ' O ' ' B' ' 69' ' ' VAL . 37.5 tp -125.0 130.15 51.77 Favored 'General case' 0 C--N 1.31 -1.149 0 C-N-CA 119.904 -0.718 . . . . 0.0 110.481 174.776 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' SER . . . . . 0.478 ' N ' ' OE1' ' B' ' 22' ' ' GLU . 0.7 OUTLIER -97.19 -177.33 3.81 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 177.542 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.459 ' NZ ' ' O ' ' B' ' 64' ' ' ASN . 0.5 OUTLIER -82.53 -3.4 55.87 Favored 'General case' 0 C--N 1.308 -1.209 0 O-C-N 121.93 -0.481 . . . . 0.0 112.004 -173.554 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.476 ' O ' ' HG3' ' B' ' 35' ' ' GLU . 15.1 mttm -77.8 -65.77 0.93 Allowed 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 -177.567 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.626 ' O ' ' N ' ' B' ' 36' ' ' LEU . 62.4 mm-40 -65.56 -35.4 80.74 Favored 'General case' 0 C--O 1.206 -1.192 0 CA-C-N 115.166 -0.925 . . . . 0.0 112.217 -179.77 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -56.32 -44.96 80.49 Favored 'General case' 0 C--N 1.31 -1.112 0 C-N-CA 120.57 -0.452 . . . . 0.0 111.319 -170.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 30.8 mttp -63.57 -45.21 91.49 Favored 'General case' 0 C--N 1.318 -0.8 0 C-N-CA 119.335 -0.946 . . . . 0.0 109.027 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . 0.476 ' HG3' ' O ' ' B' ' 31' ' ' LYS . 1.0 OUTLIER -71.13 -39.07 72.23 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.82 -1.082 . . . . 0.0 110.584 -178.843 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.626 ' N ' ' O ' ' B' ' 32' ' ' GLU . 2.0 tp -60.04 -47.15 87.05 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.731 178.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.424 ' O ' ' HB2' ' B' ' 41' ' ' LEU . 2.6 tm? -62.61 -46.45 88.23 Favored 'General case' 0 C--N 1.314 -0.968 0 C-N-CA 120.209 -0.596 . . . . 0.0 111.028 -178.388 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -64.93 -40.09 94.5 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 119.622 -0.831 . . . . 0.0 110.588 176.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 77.3 m -62.79 -49.52 74.65 Favored 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 -175.002 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . 0.409 ' HG3' HG13 ' B' ' 14' ' ' VAL . 35.8 mm-40 -83.4 -36.79 24.02 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.449 -0.5 . . . . 0.0 111.833 -174.122 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.51 ' O ' ' N ' ' B' ' 45' ' ' LEU . 10.6 mp -91.87 45.07 1.2 Allowed 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.498 -178.643 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 15.2 m -52.1 -44.22 64.31 Favored 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 111.83 0.307 . . . . 0.0 111.83 -172.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.81 -45.24 53.35 Favored Glycine 0 CA--C 1.528 0.896 0 N-CA-C 111.277 -0.729 . . . . 0.0 111.277 178.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . 0.4 ' HB2' ' HB3' ' B' ' 41' ' ' LEU . 29.9 m-85 -64.82 -37.21 86.84 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-O 120.972 0.415 . . . . 0.0 110.039 176.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.51 ' N ' ' O ' ' B' ' 41' ' ' LEU . 2.3 tp -58.26 -46.43 86.01 Favored 'General case' 0 CA--C 1.505 -0.759 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.765 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.466 ' O ' ' NZ ' ' B' ' 49' ' ' LYS . 38.7 t70 -63.88 -42.72 97.43 Favored 'General case' 0 C--N 1.312 -1.063 0 C-N-CA 119.925 -0.71 . . . . 0.0 110.704 178.773 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.41 -41.12 80.87 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.964 -0.562 . . . . 0.0 112.071 -179.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.481 ' HG3' ' O ' ' B' ' 45' ' ' LEU . 0.1 OUTLIER -70.88 -7.01 42.59 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 120.443 -0.503 . . . . 0.0 111.583 -176.631 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.466 ' NZ ' ' O ' ' B' ' 46' ' ' ASP . 22.6 mtmm -59.57 -38.38 81.0 Favored 'General case' 0 CA--C 1.512 -0.485 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 -179.249 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -109.44 36.73 2.83 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.768 -176.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 54.3 t -119.51 132.8 68.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 178.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -62.77 -39.06 93.01 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 112.405 0.52 . . . . 0.0 112.405 -176.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.09 -36.0 78.5 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 113.375 0.879 . . . . 0.0 113.375 -171.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 7.7 p -53.58 -45.12 59.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 C-N-CA 120.324 -0.55 . . . . 0.0 111.0 -173.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -61.56 -39.95 92.95 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.651 -0.499 . . . . 0.0 109.651 178.053 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 36.9 mmtm -68.99 -44.55 72.6 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.911 179.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 77.3 t -62.42 -43.9 98.7 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.647 -176.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 23.4 ptp -63.39 -15.26 57.02 Favored 'General case' 0 C--N 1.317 -0.835 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.813 -177.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . 0.503 ' O ' ' N ' ' B' ' 63' ' ' GLU . 0.1 OUTLIER -60.79 -47.53 85.92 Favored 'General case' 0 CA--C 1.503 -0.864 0 C-N-CA 120.39 -0.524 . . . . 0.0 109.712 -178.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 53.2 mp0 -61.31 -39.9 92.21 Favored 'General case' 0 CA--C 1.509 -0.614 0 O-C-N 123.54 0.525 . . . . 0.0 109.678 179.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.411 ' N ' ' CD2' ' B' ' 61' ' ' LEU . 3.7 mm? -62.05 -40.76 96.84 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 175.826 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.467 ' HB3' ' NZ ' ' B' ' 59' ' ' LYS . 28.9 t70 -64.22 -42.16 96.71 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.733 173.568 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . 0.503 ' N ' ' O ' ' B' ' 59' ' ' LYS . 75.2 mm-40 -59.49 -44.21 93.13 Favored 'General case' 0 CA--C 1.505 -0.772 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 176.662 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.459 ' O ' ' NZ ' ' B' ' 30' ' ' LYS . 24.4 t-20 -67.82 6.36 0.7 Allowed 'General case' 0 C--N 1.31 -1.145 0 CA-C-N 113.728 -1.578 . . . . 0.0 110.543 175.319 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . 0.453 ' H ' ' C ' ' B' ' 63' ' ' GLU . . . -79.58 -8.47 87.71 Favored Glycine 0 C--O 1.235 0.201 0 N-CA-C 109.896 -1.282 . . . . 0.0 109.896 178.125 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -64.25 -37.69 88.38 Favored 'General case' 0 CA--C 1.499 -1.001 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 173.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -132.16 -131.34 3.21 Favored Glycine 0 C--N 1.305 -1.142 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 -177.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -120.09 172.54 7.69 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-O 121.542 0.687 . . . . 0.0 111.614 -178.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.517 ' CG2' ' HB2' ' B' ' 73' ' ' GLU . 0.5 OUTLIER -122.66 135.29 63.22 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 CA-C-N 114.496 -1.229 . . . . 0.0 107.879 177.48 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.453 ' HA ' ' CZ ' ' B' ' 15' ' ' PHE 0.254 7.1 p30 -120.9 -156.75 0.69 Allowed 'General case' 0 C--N 1.305 -1.363 0 C-N-CA 118.899 -1.12 . . . . 0.0 110.907 175.251 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -59.15 -42.55 90.96 Favored 'General case' 0 C--N 1.289 -2.061 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 -174.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -61.82 -44.82 96.09 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.835 179.025 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.517 ' HB2' ' CG2' ' B' ' 69' ' ' VAL . 55.2 mp0 -70.14 -38.69 75.58 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 120.206 -0.597 . . . . 0.0 110.49 175.267 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -61.53 -47.59 84.89 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.022 -0.535 . . . . 0.0 112.379 -178.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 17.5 m -63.31 -41.71 93.75 Favored 'Isoleucine or valine' 0 C--O 1.237 0.413 0 C-N-CA 120.222 -0.591 . . . . 0.0 112.255 -178.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . 0.412 ' O ' ' N ' ' B' ' 80' ' ' ALA . 10.2 p -64.43 -39.21 84.76 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 C-N-CA 120.576 -0.45 . . . . 0.0 111.098 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 58.3 tp -61.23 -48.52 81.1 Favored 'General case' 0 CA--C 1.516 -0.34 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.654 -179.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 17.5 m -67.93 -41.85 85.11 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.815 0 C-N-CA 119.911 -0.716 . . . . 0.0 110.389 177.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . 0.411 ' CB ' HG22 ' A' ' 75' ' ' VAL . . . -63.81 -41.36 97.89 Favored 'General case' 0 CA--C 1.51 -0.579 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.989 178.066 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . 0.412 ' N ' ' O ' ' B' ' 76' ' ' VAL . . . -57.7 -48.6 79.09 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 178.768 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 88.3 mt -63.14 -42.82 99.55 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.319 175.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 9.4 m -63.53 -49.91 71.62 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.655 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 1.6 p -60.94 -43.71 96.49 Favored 'Isoleucine or valine' 0 C--O 1.238 0.496 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.465 178.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -58.28 -48.2 81.22 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 176.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 39.7 tpp -64.42 -40.0 94.91 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.19 178.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . 0.534 ' O ' ' N ' ' B' ' 89' ' ' PHE . 13.7 m120 -61.37 -37.7 84.3 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.948 -177.472 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -46.33 -41.71 13.72 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-O 120.956 0.407 . . . . 0.0 110.232 -177.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -60.35 -47.23 86.94 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.687 171.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . 0.534 ' N ' ' O ' ' B' ' 86' ' ' ASN . 5.8 t80 . . . . . 0 C--N 1.312 -1.056 0 CA-C-N 115.627 -0.715 . . . . 0.0 112.392 -173.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 m . . . . . 0 N--CA 1.443 -0.816 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 56.8 mp0 -57.08 -41.14 78.26 Favored 'General case' 0 C--N 1.318 -0.773 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.231 -178.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.479 ' O ' ' HG2' ' A' ' 8' ' ' MET . 2.3 mm? -61.17 -44.17 97.72 Favored 'General case' 0 CA--C 1.514 -0.423 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 177.49 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 69.1 mt-10 -64.87 -44.18 90.55 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.572 179.032 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.0 m -61.96 -46.48 89.07 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.4 176.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.82 -48.68 77.44 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.059 -0.518 . . . . 0.0 109.851 178.047 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.479 ' HG2' ' O ' ' A' ' 4' ' ' LEU . 96.8 mmm -64.37 -41.87 96.47 Favored 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 120.481 -0.488 . . . . 0.0 111.038 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 84.9 mt-10 -65.89 -35.39 80.51 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 120.243 -0.583 . . . . 0.0 110.445 175.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 21.4 m -58.02 -43.69 86.85 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 175.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.592 HD11 ' SD ' ' B' ' 8' ' ' MET . 84.1 mt -62.37 -40.03 95.12 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.257 174.231 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.436 ' CG2' ' OD1' ' B' ' 86' ' ' ASN . 24.3 mm -61.98 -44.36 98.82 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 179.257 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 37.9 m-80 -60.6 -42.82 97.53 Favored 'General case' 0 CA--C 1.508 -0.656 0 CA-C-O 120.925 0.393 . . . . 0.0 110.142 -176.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.413 ' CG2' HD23 ' B' ' 4' ' ' LEU . 84.4 t -67.54 -43.39 87.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.708 174.319 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -57.32 -48.07 79.9 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -66.54 -36.54 82.94 Favored 'General case' 0 CA--C 1.505 -0.767 0 CA-C-N 115.81 -0.632 . . . . 0.0 112.397 176.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.09 -44.95 67.97 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 177.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.461 ' ND1' ' HB3' ' A' ' 32' ' ' GLU . 96.6 m-70 -73.75 -35.39 65.02 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 116.001 -0.545 . . . . 0.0 112.047 174.752 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 34.0 m -51.44 -34.85 36.99 Favored 'General case' 0 N--CA 1.481 1.083 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 175.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.66 -33.41 86.61 Favored Glycine 0 CA--C 1.523 0.537 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.359 179.011 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -63.76 -45.66 88.82 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.432 0.634 . . . . 0.0 109.512 -176.031 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.502 ' CG ' ' HG ' ' A' ' 29' ' ' SER . 0.0 OUTLIER -88.06 -48.77 7.49 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.24 -179.415 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.5 29.06 20.29 Favored Glycine 0 CA--C 1.529 0.952 0 CA-C-O 119.483 -0.621 . . . . 0.0 113.791 172.109 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -58.87 -46.03 88.78 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 173.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.445 ' NZ ' ' OH ' ' A' ' 26' ' ' TYR . 34.5 pttt 144.16 -53.46 0.01 OUTLIER 'General case' 0 CA--C 1.503 -0.835 0 C-N-CA 127.345 2.258 . . . . 0.0 108.992 175.445 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.474 ' O ' ' HG2' ' A' ' 27' ' ' LYS . 1.7 p90 -148.91 92.87 2.03 Favored 'General case' 0 N--CA 1.44 -0.948 0 CA-C-N 115.062 -0.972 . . . . 0.0 110.921 167.6 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.474 ' HG2' ' O ' ' A' ' 26' ' ' TYR . 1.0 OUTLIER -164.2 176.87 8.81 Favored 'General case' 0 C--N 1.31 -1.115 0 N-CA-C 105.697 -1.964 . . . . 0.0 105.697 174.373 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.413 ' HB3' ' O ' ' A' ' 69' ' ' VAL . 51.7 tp -129.14 125.86 38.03 Favored 'General case' 0 C--N 1.305 -1.337 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 168.464 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.502 ' HG ' ' CG ' ' A' ' 22' ' ' GLU . 18.5 p -84.72 161.6 19.97 Favored 'General case' 0 N--CA 1.428 -1.554 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 178.385 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.576 ' NZ ' ' O ' ' A' ' 65' ' ' GLY . 8.0 mmmm -71.14 -5.5 32.21 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-O 121.17 0.51 . . . . 0.0 109.7 179.59 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 57.7 mttm -60.93 -47.42 86.52 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.134 -175.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.503 ' O ' ' N ' ' A' ' 36' ' ' LEU . 48.0 mm-40 -98.09 -24.41 15.33 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 114.235 -1.348 . . . . 0.0 111.796 -173.01 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.42 ' HB2' HG13 ' A' ' 69' ' ' VAL . 3.1 tm? -57.43 -46.97 82.97 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -167.733 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.448 ' CG ' ' N ' ' A' ' 35' ' ' GLU . 25.7 pttm -59.57 -45.31 92.22 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.494 0.664 . . . . 0.0 109.487 179.437 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.448 ' N ' ' CG ' ' A' ' 34' ' ' LYS . 82.2 mt-10 -68.68 -43.55 75.9 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 114.978 -1.01 . . . . 0.0 109.355 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.503 ' N ' ' O ' ' A' ' 32' ' ' GLU . 3.8 tp -61.24 -48.93 79.22 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-N 114.764 -1.107 . . . . 0.0 111.864 -178.496 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -62.27 -47.02 86.2 Favored 'General case' 0 C--N 1.31 -1.148 0 C-N-CA 119.756 -0.777 . . . . 0.0 110.721 -176.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.425 ' HB2' ' CD2' ' A' ' 45' ' ' LEU . 15.7 pt20 -66.35 -40.97 90.14 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 120.386 -0.525 . . . . 0.0 110.805 177.197 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 65.6 m -62.95 -52.1 64.31 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.417 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.65 -40.38 76.51 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -178.199 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.423 ' O ' ' N ' ' A' ' 45' ' ' LEU . 10.7 mp -94.45 46.02 1.14 Allowed 'General case' 0 C--N 1.311 -1.079 0 C-N-CA 120.983 -0.287 . . . . 0.0 111.571 -178.103 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.5 m -56.92 -44.09 82.07 Favored 'General case' 0 C--O 1.241 0.606 0 C-N-CA 120.143 -0.623 . . . . 0.0 110.452 -175.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.43 -45.39 54.62 Favored Glycine 0 C--N 1.316 -0.551 0 N-CA-C 111.494 -0.642 . . . . 0.0 111.494 178.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.44 ' CD1' ' SD ' ' A' ' 85' ' ' MET . 39.3 m-85 -69.0 -41.47 77.77 Favored 'General case' 0 CA--C 1.505 -0.751 0 CA-C-O 121.212 0.53 . . . . 0.0 110.796 -178.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.425 ' CD2' ' HB2' ' A' ' 38' ' ' GLN . 43.0 tp -61.87 -46.64 88.54 Favored 'General case' 0 N--CA 1.436 -1.164 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.969 178.552 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -63.91 -42.41 97.41 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.105 0.479 . . . . 0.0 111.394 178.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.7 -44.49 96.83 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.591 -0.731 . . . . 0.0 112.816 -174.005 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -114.8 41.96 2.26 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 -176.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.9 mtpm? -62.2 -40.62 96.68 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.329 0.585 . . . . 0.0 109.627 174.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -65.77 -20.54 66.3 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.157 -0.929 . . . . 0.0 111.613 -176.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.446 ' O ' HG12 ' A' ' 54' ' ' VAL . 3.8 t -77.95 102.94 4.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 178.704 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -47.74 -30.53 3.96 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.552 -176.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.38 -29.08 47.42 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.683 179.333 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.446 HG12 ' O ' ' A' ' 51' ' ' VAL . 9.7 p -58.38 -44.7 89.11 Favored 'Isoleucine or valine' 0 C--O 1.234 0.255 0 C-N-CA 120.162 -0.615 . . . . 0.0 109.405 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -60.89 -48.55 81.3 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-O 121.648 0.737 . . . . 0.0 109.749 177.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 47.6 mttp -64.54 -40.42 95.57 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 114.73 -1.123 . . . . 0.0 111.647 -179.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 69.6 t -59.52 -45.23 94.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 178.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 7.2 mmm -61.01 -43.88 98.23 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.161 176.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.47 ' O ' ' HG3' ' A' ' 63' ' ' GLU . 28.4 ttpp -66.55 -50.91 61.6 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.038 -0.983 . . . . 0.0 112.361 -179.377 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -62.27 -45.42 93.35 Favored 'General case' 0 C--N 1.304 -1.388 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.826 -172.128 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.419 ' HG ' ' HB2' ' A' ' 77' ' ' LEU . 3.6 mm? -64.4 -39.55 94.08 Favored 'General case' 0 C--N 1.307 -1.272 0 C-N-CA 120.007 -0.677 . . . . 0.0 109.812 174.769 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.473 ' HA ' ' CE ' ' A' ' 30' ' ' LYS . 34.4 t70 -60.97 -42.02 97.53 Favored 'General case' 0 CA--C 1.51 -0.562 0 C-N-CA 120.438 -0.505 . . . . 0.0 110.776 177.114 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.47 ' HG3' ' O ' ' A' ' 59' ' ' LYS . 48.8 mt-10 -63.73 -40.87 97.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.944 0.402 . . . . 0.0 110.101 179.217 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.421 ' C ' ' H ' ' A' ' 66' ' ' ASP . 0.7 OUTLIER -62.28 -43.71 98.2 Favored 'General case' 0 CA--C 1.505 -0.765 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.4 173.889 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.576 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . . . -73.63 49.67 1.69 Allowed Glycine 0 CA--C 1.505 -0.577 0 N-CA-C 110.221 -1.152 . . . . 0.0 110.221 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.421 ' H ' ' C ' ' A' ' 64' ' ' ASN . 4.8 t70 -63.4 -36.89 85.21 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 -178.252 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -96.96 -64.37 0.91 Allowed Glycine 0 C--N 1.32 -0.333 0 N-CA-C 110.373 -1.091 . . . . 0.0 110.373 176.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -143.0 -179.99 6.69 Favored 'General case' 0 CA--C 1.508 -0.64 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 178.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.42 HG13 ' HB2' ' A' ' 33' ' ' LEU . 2.4 p -122.49 128.38 75.36 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.916 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 168.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.601 ' CG ' ' N ' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -100.9 175.54 5.58 Favored 'General case' 0 C--N 1.314 -0.948 0 C-N-CA 120.501 -0.48 . . . . 0.0 111.767 -176.734 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.601 ' N ' ' CG ' ' A' ' 70' ' ' ASP . 77.9 t80 -60.24 -45.5 93.03 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.029 -177.069 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -60.17 -41.78 93.59 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.712 0.767 . . . . 0.0 109.268 177.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -68.08 -41.24 82.19 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 114.902 -1.044 . . . . 0.0 109.577 177.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.465 ' N ' ' O ' ' A' ' 70' ' ' ASP . 28.8 t80 -61.25 -47.62 85.18 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.619 179.274 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.446 HG22 ' N ' ' A' ' 76' ' ' VAL . 19.7 m -63.18 -41.55 93.21 Favored 'Isoleucine or valine' 0 C--O 1.236 0.384 0 C-N-CA 120.344 -0.542 . . . . 0.0 111.681 -177.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.446 ' N ' HG22 ' A' ' 75' ' ' VAL . 11.1 p -64.88 -37.65 80.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 C-N-CA 120.381 -0.528 . . . . 0.0 110.645 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.419 ' HB2' ' HG ' ' A' ' 61' ' ' LEU . 44.5 tp -61.02 -48.21 82.87 Favored 'General case' 0 CA--C 1.513 -0.462 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.478 178.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 17.8 m -68.7 -42.56 83.16 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.899 0 C-N-CA 120.048 -0.661 . . . . 0.0 111.066 177.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.402 ' CB ' HG21 ' B' ' 75' ' ' VAL . . . -62.61 -39.32 93.41 Favored 'General case' 0 CA--C 1.507 -0.677 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.498 178.462 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.532 ' CB ' HE21 ' B' ' 72' ' ' GLN . . . -56.47 -50.26 72.24 Favored 'General case' 0 CA--C 1.508 -0.649 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.4 mt -64.36 -42.07 96.39 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.604 175.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 17.8 m -62.23 -48.53 79.55 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.033 -178.159 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.419 HG12 ' HG3' ' B' ' 72' ' ' GLN . 14.5 p -61.76 -45.77 97.97 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.239 0 C-N-CA 120.12 -0.632 . . . . 0.0 109.992 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.94 -50.77 72.04 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.672 177.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' MET . . . . . 0.44 ' SD ' ' CD1' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -65.64 -49.52 68.35 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-O 121.19 0.519 . . . . 0.0 111.122 -178.51 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.604 ' HB3' ' CZ2' ' A' ' 90' ' ' TRP . 3.1 t-20 -62.89 -31.2 72.2 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.93 -175.152 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.506 ' HA ' ' CE3' ' A' ' 90' ' ' TRP . 0.2 OUTLIER -46.45 -35.01 5.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.41 -0.813 . . . . 0.0 110.51 176.643 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -57.08 -44.36 83.03 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.137 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 64.5 m-85 -64.96 -41.87 95.1 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.704 178.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . 0.604 ' CZ2' ' HB3' ' A' ' 86' ' ' ASN . 9.4 m0 . . . . . 0 CA--C 1.497 -1.081 0 CA-C-O 121.509 0.671 . . . . 0.0 109.392 -178.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 6.7 m . . . . . 0 N--CA 1.45 -0.463 0 CA-C-O 120.94 0.4 . . . . 0.0 110.595 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . 0.419 ' O ' ' N ' ' B' ' 7' ' ' ALA . 49.0 mt-10 -57.91 -34.89 70.32 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 175.552 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.553 ' CD2' ' N ' ' B' ' 4' ' ' LEU . 1.3 mm? -62.1 -42.34 99.12 Favored 'General case' 0 C--N 1.309 -1.194 0 CA-C-N 115.086 -0.961 . . . . 0.0 108.919 177.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -64.52 -40.57 95.86 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 177.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 17.1 m -61.17 -44.81 96.72 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.381 -0.827 . . . . 0.0 108.901 173.104 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . 0.419 ' N ' ' O ' ' B' ' 3' ' ' GLU . . . -58.35 -47.63 83.15 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.004 176.245 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' MET . . . . . 0.592 ' SD ' HD11 ' A' ' 11' ' ' LEU . 94.0 mmm -63.23 -41.42 99.11 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.788 177.601 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . 0.439 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 1.2 mm-40 -62.42 -38.84 91.24 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 176.068 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 9.5 m -60.31 -43.02 96.71 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 175.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.429 ' CD2' HD13 ' A' ' 4' ' ' LEU . 70.4 mt -61.8 -42.94 99.64 Favored 'General case' 0 C--O 1.236 0.379 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 174.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.523 HD12 ' CE2' ' B' ' 71' ' ' PHE . 21.8 mm -63.58 -45.1 98.55 Favored 'Isoleucine or valine' 0 C--O 1.237 0.439 0 CA-C-O 121.068 0.461 . . . . 0.0 109.916 -179.522 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . 0.439 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 54.7 m-80 -62.01 -43.14 99.48 Favored 'General case' 0 CA--C 1.508 -0.664 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.844 -178.449 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 89.2 t -65.3 -46.46 90.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.236 176.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.5 ' CE1' ' HB2' ' B' ' 28' ' ' LEU . 90.3 t80 -58.88 -49.03 79.3 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.845 -178.381 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.445 ' HA ' ' OG ' ' B' ' 19' ' ' SER . 8.2 m-70 -71.35 -30.72 66.5 Favored 'General case' 0 CA--C 1.506 -0.721 0 N-CA-C 113.3 0.852 . . . . 0.0 113.3 178.282 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.03 -41.03 74.35 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 173.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.499 ' HA ' ' HD3' ' B' ' 21' ' ' LYS . 85.8 m-70 -74.62 -38.42 62.56 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.549 -0.75 . . . . 0.0 112.15 174.49 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.445 ' OG ' ' HA ' ' B' ' 16' ' ' HIS . 34.6 m -50.51 -35.9 31.45 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 178.456 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -56.71 -36.26 71.1 Favored Glycine 0 CA--C 1.524 0.631 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.587 -178.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . 0.499 ' HD3' ' HA ' ' B' ' 18' ' ' HIS . 0.2 OUTLIER -63.55 -44.62 93.64 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 122.425 -0.456 . . . . 0.0 111.365 179.57 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.485 ' CD ' ' HG ' ' B' ' 29' ' ' SER . 0.0 OUTLIER -150.15 -45.55 0.13 Allowed 'General case' 0 C--O 1.236 0.352 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 -175.099 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . 0.446 ' N ' ' OE1' ' B' ' 22' ' ' GLU . . . -57.77 59.77 0.01 OUTLIER Glycine 0 CA--C 1.526 0.779 0 CA-C-N 115.581 -0.736 . . . . 0.0 113.813 -169.311 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . 0.483 ' N ' ' O ' ' B' ' 22' ' ' GLU . 6.0 t70 39.74 -156.68 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 122.882 0.473 . . . . 0.0 110.453 176.262 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.49 ' HD2' ' CZ ' ' B' ' 26' ' ' TYR . 2.4 pttt -68.14 -47.86 66.92 Favored 'General case' 0 CA--C 1.508 -0.653 0 C-N-CA 118.417 -1.313 . . . . 0.0 108.902 177.345 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.49 ' CZ ' ' HD2' ' B' ' 25' ' ' LYS . 0.1 OUTLIER -134.66 92.5 2.91 Favored 'General case' 0 N--CA 1.445 -0.675 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.649 174.422 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.422 ' HG2' ' O ' ' B' ' 26' ' ' TYR . 3.2 mmtm -165.64 -174.92 3.28 Favored 'General case' 0 CA--C 1.507 -0.688 0 C-N-CA 124.921 1.288 . . . . 0.0 108.159 171.57 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.5 ' HB2' ' CE1' ' B' ' 15' ' ' PHE . 48.4 tp -144.41 135.44 25.18 Favored 'General case' 0 C--N 1.307 -1.246 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 170.685 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' SER . . . . . 0.485 ' HG ' ' CD ' ' B' ' 22' ' ' GLU . 0.7 OUTLIER -102.62 163.81 12.01 Favored 'General case' 0 C--N 1.309 -1.183 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 178.907 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.516 ' NZ ' ' O ' ' B' ' 65' ' ' GLY . 0.3 OUTLIER -70.18 -6.91 37.66 Favored 'General case' 0 CA--C 1.509 -0.631 0 C-N-CA 119.49 -0.884 . . . . 0.0 109.449 -178.284 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 42.4 mttm -64.55 -47.87 77.17 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 107.603 -1.258 . . . . 0.0 107.603 -177.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.4 ' HG3' ' HB2' ' B' ' 21' ' ' LYS . 52.6 mm-40 -89.0 -42.45 11.76 Favored 'General case' 0 C--O 1.222 -0.386 0 CA-C-N 114.154 -1.384 . . . . 0.0 111.785 178.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -52.72 -47.08 67.58 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 120.627 0.251 . . . . 0.0 111.239 -168.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.4 ' HG3' ' N ' ' B' ' 35' ' ' GLU . 16.9 pttp -58.85 -44.26 90.98 Favored 'General case' 0 C--N 1.309 -1.172 0 C-N-CA 120.167 -0.613 . . . . 0.0 110.509 178.332 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . 0.4 ' N ' ' HG3' ' B' ' 34' ' ' LYS . 48.1 mm-40 -69.2 -45.89 68.79 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 122.027 0.918 . . . . 0.0 108.784 179.167 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.406 ' CD1' ' CG ' ' B' ' 40' ' ' GLU . 2.8 tp -60.83 -48.21 82.85 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 114.263 -1.335 . . . . 0.0 111.786 -178.049 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -62.62 -47.18 84.87 Favored 'General case' 0 C--N 1.311 -1.099 0 C-N-CA 120.112 -0.635 . . . . 0.0 111.105 -176.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.518 ' HB2' ' CD2' ' B' ' 45' ' ' LEU . 3.8 pt20 -66.02 -40.48 91.08 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 119.903 -0.719 . . . . 0.0 110.792 177.245 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 98.3 m -63.74 -52.36 60.78 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 115.665 -0.698 . . . . 0.0 112.25 -177.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . 0.406 ' CG ' ' CD1' ' B' ' 36' ' ' LEU . 56.5 mm-40 -73.4 -41.01 63.83 Favored 'General case' 0 C--N 1.332 -0.155 0 C-N-CA 120.159 -0.617 . . . . 0.0 112.261 -175.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 9.6 mp -96.02 35.96 1.36 Allowed 'General case' 0 CA--C 1.51 -0.563 0 CA-C-O 121.149 0.499 . . . . 0.0 109.9 -179.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -57.88 -36.59 72.61 Favored 'General case' 0 N--CA 1.442 -0.873 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.146 -176.476 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.88 -46.34 67.71 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 176.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . 0.444 ' O ' ' HG3' ' B' ' 48' ' ' GLN . 15.3 m-85 -66.87 -43.91 82.29 Favored 'General case' 0 CA--C 1.496 -1.117 0 CA-C-O 121.26 0.552 . . . . 0.0 110.055 176.762 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.518 ' CD2' ' HB2' ' B' ' 38' ' ' GLN . 14.6 tp -61.32 -50.05 74.53 Favored 'General case' 0 N--CA 1.434 -1.269 0 CA-C-N 115.188 -0.914 . . . . 0.0 111.881 -177.016 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -61.21 -35.42 77.14 Favored 'General case' 0 C--N 1.305 -1.327 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.062 -177.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.22 -39.54 86.97 Favored 'General case' 0 C--N 1.309 -1.178 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.306 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.525 ' CG ' ' SD ' ' B' ' 85' ' ' MET . 1.1 pp0? -125.26 38.75 4.12 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 113.758 1.021 . . . . 0.0 113.758 -176.136 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 5.7 mtpm? -61.7 -39.04 90.07 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 119.734 -0.787 . . . . 0.0 109.188 175.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -68.27 -28.81 67.53 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 114.977 -1.01 . . . . 0.0 112.208 -178.157 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 3.3 t -74.25 154.46 6.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 121.278 0.561 . . . . 0.0 112.349 -171.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.402 ' HB3' ' HD2' ' B' ' 56' ' ' LYS . 34.6 m-20 -61.91 -39.03 90.62 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.858 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -49.03 -50.18 37.56 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 112.497 0.555 . . . . 0.0 112.497 -171.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . 0.409 ' HB ' ' OE1' ' B' ' 48' ' ' GLN . 8.5 p -58.48 -46.81 89.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 C-N-CA 119.685 -0.806 . . . . 0.0 111.305 -175.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.477 ' CG ' ' HZ2' ' B' ' 59' ' ' LYS . 26.0 t70 -60.39 -49.96 75.51 Favored 'General case' 0 CA--C 1.508 -0.655 0 C-N-CA 119.737 -0.785 . . . . 0.0 110.302 177.445 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . 0.402 ' HD2' ' HB3' ' B' ' 52' ' ' ASP . 68.0 mttm -67.17 -42.59 84.01 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-N 114.996 -1.002 . . . . 0.0 112.043 -176.029 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 47.1 t -62.78 -46.29 96.72 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.705 0 CA-C-O 121.408 0.623 . . . . 0.0 109.592 -179.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 51.8 ttp -60.84 -39.97 91.07 Favored 'General case' 0 N--CA 1.428 -1.56 0 CA-C-N 114.763 -1.108 . . . . 0.0 109.852 173.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . 0.567 ' NZ ' ' HB2' ' B' ' 59' ' ' LYS . 0.0 OUTLIER -63.23 -46.72 85.64 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.291 -179.46 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -64.13 -44.53 91.91 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.628 -0.714 . . . . 0.0 111.847 -177.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.429 ' N ' ' CD2' ' B' ' 61' ' ' LEU . 2.6 mm? -83.35 -10.78 58.26 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-O 120.984 0.421 . . . . 0.0 111.297 -176.643 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.463 ' OD1' ' NZ ' ' B' ' 30' ' ' LYS . 36.5 t70 -63.38 -37.14 86.12 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 120.581 -0.448 . . . . 0.0 111.223 -178.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.01 -48.86 79.96 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 124.043 0.839 . . . . 0.0 110.947 -174.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.507 ' C ' ' H ' ' B' ' 66' ' ' ASP . 11.5 m-80 -62.76 -41.57 99.28 Favored 'General case' 0 CA--C 1.495 -1.157 0 CA-C-O 121.224 0.535 . . . . 0.0 110.032 175.622 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . 0.516 ' O ' ' NZ ' ' B' ' 30' ' ' LYS . . . -72.26 38.23 0.68 Allowed Glycine 0 N--CA 1.44 -1.086 0 N-CA-C 110.771 -0.932 . . . . 0.0 110.771 177.555 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.507 ' H ' ' C ' ' B' ' 64' ' ' ASN . 10.5 t70 -61.32 -38.25 86.19 Favored 'General case' 0 CA--C 1.506 -0.723 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 177.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -131.96 -42.04 0.19 Allowed Glycine 0 C--N 1.308 -0.976 0 N-CA-C 110.062 -1.215 . . . . 0.0 110.062 176.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -136.11 153.38 51.32 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.713 -0.243 . . . . 0.0 110.579 -178.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.456 ' N ' ' O ' ' B' ' 28' ' ' LEU . 2.2 p -126.69 128.34 70.96 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.06 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 170.53 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.546 ' CG ' ' N ' ' B' ' 71' ' ' PHE . 6.0 t70 -93.04 173.07 7.92 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 120.876 0.369 . . . . 0.0 111.77 -174.36 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.546 ' N ' ' CG ' ' B' ' 70' ' ' ASP . 75.8 t80 -59.03 -44.4 91.74 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.06 -178.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . 0.532 HE21 ' CB ' ' A' ' 80' ' ' ALA . 79.6 mt-30 -57.52 -43.15 84.08 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.46 -0.571 . . . . 0.0 109.46 177.475 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -69.01 -39.26 79.4 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.993 177.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -61.12 -47.8 84.58 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.63 179.289 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . 0.449 HG22 ' N ' ' B' ' 76' ' ' VAL . 20.4 m -62.78 -42.3 95.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 C-N-CA 120.155 -0.618 . . . . 0.0 111.759 -178.309 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . 0.449 ' N ' HG22 ' B' ' 75' ' ' VAL . 8.4 p -65.26 -39.39 85.25 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.596 0 C-N-CA 119.916 -0.714 . . . . 0.0 110.588 179.123 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 56.9 tp -61.56 -48.15 82.31 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.116 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.434 HG22 ' CE ' ' A' ' 8' ' ' MET . 16.5 m -68.69 -40.34 81.5 Favored 'Isoleucine or valine' 0 C--O 1.243 0.749 0 C-N-CA 120.027 -0.669 . . . . 0.0 110.464 176.691 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . 0.428 ' CB ' HG21 ' A' ' 75' ' ' VAL . . . -61.15 -40.35 93.51 Favored 'General case' 0 CA--C 1.502 -0.882 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.391 178.568 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . 0.432 ' O ' HG12 ' B' ' 83' ' ' VAL . . . -57.51 -49.03 77.65 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 -178.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 89.9 mt -63.59 -42.07 98.29 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.89 174.031 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 18.8 m -62.16 -49.56 75.34 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.395 -179.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . 0.432 HG12 ' O ' ' B' ' 80' ' ' ALA . 1.1 p -62.41 -42.41 95.5 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 179.642 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -58.55 -54.17 50.07 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.341 177.088 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 85' ' ' MET . . . . . 0.525 ' SD ' ' CG ' ' B' ' 48' ' ' GLN . 81.6 mmm -64.5 -42.73 95.66 Favored 'General case' 0 CA--C 1.51 -0.583 0 C-N-CA 120.198 -0.601 . . . . 0.0 111.589 177.639 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . 0.436 ' OD1' ' CG2' ' A' ' 12' ' ' ILE . 2.4 t-20 -64.16 -39.39 93.9 Favored 'General case' 0 C--N 1.313 -0.983 0 C-N-CA 120.263 -0.575 . . . . 0.0 109.784 179.351 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . 0.43 ' N ' ' O ' ' B' ' 83' ' ' VAL . 3.4 t-20 -60.25 -41.35 93.03 Favored 'General case' 0 CA--C 1.503 -0.86 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.043 174.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -60.29 -42.91 96.46 Favored 'General case' 0 N--CA 1.443 -0.802 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 174.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 . . . . . 0 C--O 1.235 0.334 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 177.604 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.253 1.244 0 CA-C-O 120.909 0.385 . . . . 0.0 110.855 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -63.49 -37.98 89.39 Favored 'General case' 0 CA--C 1.506 -0.744 0 C-N-CA 120.373 -0.531 . . . . 0.0 109.815 175.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.495 ' O ' ' HG2' ' A' ' 8' ' ' MET . 0.5 OUTLIER -59.99 -47.1 87.2 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.783 -177.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -63.07 -44.82 94.71 Favored 'General case' 0 N--CA 1.446 -0.67 0 C-N-CA 119.904 -0.719 . . . . 0.0 109.737 178.403 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.3 m -63.5 -46.75 84.66 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 115.113 -0.949 . . . . 0.0 110.94 177.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.79 -47.09 85.95 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.371 0.605 . . . . 0.0 109.693 179.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.495 ' HG2' ' O ' ' A' ' 4' ' ' LEU . 97.1 mmm -63.21 -42.01 99.22 Favored 'General case' 0 N--CA 1.443 -0.811 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.073 179.03 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.447 ' HG2' ' ND2' ' B' ' 86' ' ' ASN . 93.8 mt-10 -65.91 -33.96 77.03 Favored 'General case' 0 CA--C 1.515 -0.39 0 C-N-CA 119.951 -0.699 . . . . 0.0 111.541 175.468 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 18.6 m -56.44 -44.07 80.07 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 176.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.483 HD13 ' SD ' ' B' ' 8' ' ' MET . 97.3 mt -64.45 -39.56 94.06 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.615 172.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 17.2 mm -62.0 -43.98 98.33 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 -177.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 59.5 m-80 -61.33 -41.41 96.97 Favored 'General case' 0 CA--C 1.502 -0.904 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.698 -177.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.414 ' CG1' ' HH ' ' A' ' 74' ' ' TYR . 73.0 t -62.85 -46.05 97.31 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 174.283 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.482 ' CE1' ' HB2' ' A' ' 28' ' ' LEU . 77.0 t80 -59.87 -47.31 86.27 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.195 179.552 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -65.96 -42.66 89.64 Favored 'General case' 0 C--O 1.245 0.836 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 178.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.23 -46.56 79.5 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 179.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -74.28 -31.57 62.58 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.071 176.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 70.4 m -55.66 -40.99 73.0 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-O 121.451 0.643 . . . . 0.0 109.708 178.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.02 -21.05 51.96 Favored Glycine 0 CA--C 1.526 0.726 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.88 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -65.92 -44.13 86.08 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -172.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.512 ' HG3' ' H ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -89.58 -66.29 0.94 Allowed 'General case' 0 C--O 1.236 0.384 0 N-CA-C 113.32 0.859 . . . . 0.0 113.32 -171.914 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.512 ' H ' ' HG3' ' A' ' 22' ' ' GLU . . . 176.35 -37.06 0.1 OUTLIER Glycine 0 CA--C 1.527 0.786 0 C-N-CA 120.476 -0.869 . . . . 0.0 112.949 -179.597 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -65.02 151.08 46.9 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-N 117.268 0.534 . . . . 0.0 111.578 -176.111 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.519 ' NZ ' ' OH ' ' A' ' 26' ' ' TYR . 25.1 pttt -56.63 -41.39 77.04 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.002 175.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.519 ' OH ' ' NZ ' ' A' ' 25' ' ' LYS . 14.1 p90 -157.08 93.08 1.31 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.407 0.622 . . . . 0.0 111.633 172.488 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.7 mmmm -154.03 157.97 39.85 Favored 'General case' 0 C--N 1.305 -1.343 0 N-CA-C 107.137 -1.431 . . . . 0.0 107.137 171.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.482 ' HB2' ' CE1' ' A' ' 15' ' ' PHE . 40.1 tp -121.1 120.11 34.37 Favored 'General case' 0 C--N 1.305 -1.343 0 CA-C-O 121.443 0.64 . . . . 0.0 109.624 -177.658 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.5 p -79.42 158.5 27.33 Favored 'General case' 0 N--CA 1.431 -1.386 0 CA-C-N 115.121 -0.945 . . . . 0.0 110.101 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.621 ' NZ ' ' HA ' ' A' ' 62' ' ' ASP . 12.6 mmmm -69.59 -6.13 29.08 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.799 0.809 . . . . 0.0 109.067 174.094 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -62.8 -45.3 93.3 Favored 'General case' 0 N--CA 1.441 -0.902 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 176.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.436 ' O ' ' HB3' ' A' ' 36' ' ' LEU . 59.2 mm-40 -97.79 -41.96 7.81 Favored 'General case' 0 N--CA 1.438 -1.066 0 CA-C-N 114.091 -1.413 . . . . 0.0 110.986 -176.382 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -50.46 -50.41 52.51 Favored 'General case' 0 CA--C 1.516 -0.36 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -168.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.1 pttp -64.15 -47.12 81.11 Favored 'General case' 0 C--N 1.314 -0.96 0 C-N-CA 118.877 -1.129 . . . . 0.0 111.008 179.144 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 80.0 mt-10 -69.73 -44.61 69.95 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.188 -174.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.436 ' HB3' ' O ' ' A' ' 32' ' ' GLU . 0.1 OUTLIER -63.22 -44.01 96.48 Favored 'General case' 0 C--N 1.311 -1.094 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.838 173.345 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -61.29 -45.99 92.2 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 120.49 -0.484 . . . . 0.0 110.401 -178.187 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -65.79 -44.05 86.91 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 119.605 -0.838 . . . . 0.0 111.272 177.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -64.37 -52.14 59.78 Favored 'General case' 0 N--CA 1.439 -0.989 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -177.39 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -71.85 -41.07 68.53 Favored 'General case' 0 C--O 1.238 0.488 0 C-N-CA 119.922 -0.711 . . . . 0.0 111.309 -174.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.9 mp -98.82 28.05 4.55 Favored 'General case' 0 C--O 1.242 0.691 0 CA-C-O 121.133 0.492 . . . . 0.0 110.282 -179.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.52 -33.6 60.23 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.498 -176.522 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -66.52 -49.91 52.91 Favored Glycine 0 C--N 1.317 -0.472 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 176.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.491 ' HD1' ' SD ' ' A' ' 85' ' ' MET . 40.4 m-85 -67.64 -42.6 82.03 Favored 'General case' 0 CA--C 1.489 -1.378 0 CA-C-O 121.265 0.555 . . . . 0.0 109.998 178.005 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 49.9 tp -61.49 -47.16 86.9 Favored 'General case' 0 N--CA 1.428 -1.554 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.666 -178.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -66.34 -40.08 89.63 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.827 0.346 . . . . 0.0 111.304 176.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.671 ' CB ' ' SD ' ' A' ' 85' ' ' MET . . . -62.61 -41.25 98.88 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.811 -177.221 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.407 ' NE2' ' O ' ' A' ' 44' ' ' PHE . 1.6 pp0? -129.24 39.95 3.69 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.681 0.623 . . . . 0.0 112.681 -179.5 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 46.6 tttm -60.22 -46.14 90.77 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.141 0.496 . . . . 0.0 109.663 178.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.459 ' C ' ' H ' ' A' ' 52' ' ' ASP . 17.8 t70 -69.8 -20.71 63.45 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.443 -0.799 . . . . 0.0 112.498 -177.671 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.548 ' C ' ' H ' ' A' ' 53' ' ' ALA . 84.1 t -57.74 -2.32 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -172.399 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.459 ' H ' ' C ' ' A' ' 50' ' ' ASP . 34.3 t70 61.53 -40.0 0.13 Allowed 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 175.042 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.548 ' H ' ' C ' ' A' ' 51' ' ' VAL . . . -52.18 -35.41 48.82 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 178.081 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.4 p -58.64 -42.18 84.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.155 175.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -61.47 -46.45 89.99 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.324 0.583 . . . . 0.0 109.892 175.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.6 ' CD ' ' N ' ' A' ' 56' ' ' LYS . 4.1 mptt -65.68 -40.01 91.91 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.37 -179.611 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.448 HG11 ' CD1' ' A' ' 77' ' ' LEU . 73.3 t -65.05 -44.31 95.85 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.986 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 176.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 51.2 ttm -61.67 -36.99 82.43 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 114.493 -1.23 . . . . 0.0 110.185 175.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.411 ' O ' ' HG3' ' A' ' 63' ' ' GLU . 16.4 tptp -58.61 -43.83 89.71 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.254 -177.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -60.31 -41.92 94.49 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 177.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.472 ' HG ' ' CD2' ' A' ' 77' ' ' LEU . 2.0 mm? -63.06 -41.1 99.39 Favored 'General case' 0 C--O 1.243 0.749 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.799 175.072 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.621 ' HA ' ' NZ ' ' A' ' 30' ' ' LYS . 50.9 m-20 -66.53 -41.08 89.29 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 120.547 -0.461 . . . . 0.0 111.86 175.38 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.411 ' HG3' ' O ' ' A' ' 59' ' ' LYS . 91.5 mt-10 -65.67 -46.35 79.43 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 177.466 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.484 ' C ' ' H ' ' A' ' 66' ' ' ASP . 38.5 t-20 -64.95 -42.39 94.65 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.698 178.314 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 61' ' ' LEU . . . -62.03 42.3 0.06 OUTLIER Glycine 0 N--CA 1.465 0.583 0 CA-C-N 115.735 -0.666 . . . . 0.0 113.059 -173.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.484 ' H ' ' C ' ' A' ' 64' ' ' ASN . 38.7 t70 -63.67 -37.5 87.57 Favored 'General case' 0 CA--C 1.507 -0.676 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 174.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -120.22 -68.67 0.29 Allowed Glycine 0 C--N 1.317 -0.479 0 N-CA-C 110.476 -1.05 . . . . 0.0 110.476 177.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -146.84 171.81 14.62 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -113.42 132.24 62.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 170.003 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.412 ' O ' ' N ' ' A' ' 74' ' ' TYR . 0.0 OUTLIER -92.31 -178.86 5.06 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.439 -0.504 . . . . 0.0 110.302 -177.624 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -60.42 -45.14 94.69 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.899 0.38 . . . . 0.0 110.243 179.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.497 ' O ' HG21 ' A' ' 75' ' ' VAL . 4.7 tt0 -59.52 -42.1 91.46 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 -179.744 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -70.17 -41.43 73.8 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.979 176.062 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.414 ' HH ' ' CG1' ' A' ' 14' ' ' VAL . 43.0 t80 -61.37 -47.68 84.71 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 177.597 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.497 HG21 ' O ' ' A' ' 72' ' ' GLN . 19.6 m -62.43 -42.43 95.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 C-N-CA 120.075 -0.65 . . . . 0.0 112.217 -177.763 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 12.2 p -64.26 -37.58 80.29 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.713 0 C-N-CA 120.252 -0.579 . . . . 0.0 110.355 -178.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.472 ' CD2' ' HG ' ' A' ' 61' ' ' LEU . 54.2 tp -60.73 -50.25 74.23 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.283 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 16.8 m -69.26 -42.15 81.34 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.654 177.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.44 -44.88 95.37 Favored 'General case' 0 CA--C 1.511 -0.534 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.19 -179.5 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.68 -42.13 92.22 Favored 'General case' 0 CA--C 1.509 -0.62 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.4 mt -64.33 -41.62 96.71 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.301 174.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.456 ' O ' ' HB2' ' A' ' 86' ' ' ASN . 19.4 m -61.61 -51.31 69.04 Favored 'General case' 0 N--CA 1.445 -0.705 0 C-N-CA 120.341 -0.544 . . . . 0.0 109.833 -179.004 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.457 HG23 ' CZ3' ' A' ' 90' ' ' TRP . 5.7 p -66.02 -36.84 78.44 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.218 0 C-N-CA 120.77 -0.372 . . . . 0.0 111.029 176.464 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.22 -50.7 68.74 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 120.426 -0.51 . . . . 0.0 110.4 178.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' MET . . . . . 0.671 ' SD ' ' CB ' ' A' ' 47' ' ' ALA . 23.1 ttp -74.95 -45.94 38.89 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 119.805 -0.758 . . . . 0.0 110.522 178.116 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.579 ' HB3' ' CZ2' ' A' ' 90' ' ' TRP . 0.5 OUTLIER -59.49 -30.06 68.28 Favored 'General case' 0 CA--C 1.507 -0.702 0 C-N-CA 120.59 -0.444 . . . . 0.0 109.963 -177.907 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.416 ' N ' ' O ' ' A' ' 83' ' ' VAL . 19.6 t-20 -54.24 -39.07 66.45 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.016 173.759 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -59.56 -45.08 92.87 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 174.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -61.2 -42.94 99.47 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 119.708 -0.797 . . . . 0.0 109.596 175.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . 0.579 ' CZ2' ' HB3' ' A' ' 86' ' ' ASN . 15.2 m0 . . . . . 0 CA--C 1.498 -1.043 0 CA-C-O 121.064 0.459 . . . . 0.0 110.384 -177.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 40.2 m . . . . . 0 N--CA 1.454 -0.24 0 CA-C-O 120.679 0.276 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . 0.451 ' H ' ' CD ' ' B' ' 3' ' ' GLU . 1.4 mp0 -50.08 -20.56 1.0 Allowed 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.72 178.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.47 ' O ' ' HG2' ' B' ' 8' ' ' MET . 1.3 mm? -59.89 -40.58 89.21 Favored 'General case' 0 N--CA 1.436 -1.131 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 178.293 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -60.64 -43.57 97.39 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 120.169 -0.613 . . . . 0.0 109.639 176.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 8.2 m -61.72 -45.33 94.42 Favored 'General case' 0 N--CA 1.445 -0.724 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 175.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.26 -44.01 97.94 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.559 177.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' MET . . . . . 0.483 ' SD ' HD13 ' A' ' 11' ' ' LEU . 96.5 mmm -63.6 -42.61 98.23 Favored 'General case' 0 CA--C 1.514 -0.414 0 C-N-CA 120.467 -0.493 . . . . 0.0 110.477 177.452 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -68.14 -27.4 66.4 Favored 'General case' 0 N--CA 1.442 -0.852 0 C-N-CA 119.098 -1.041 . . . . 0.0 111.837 175.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 10.4 m -57.81 -43.03 85.45 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 174.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.444 ' CD2' ' CD1' ' A' ' 4' ' ' LEU . 96.9 mt -63.13 -40.35 97.33 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 174.29 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.409 HD13 ' CZ ' ' B' ' 71' ' ' PHE . 22.4 mm -63.1 -43.81 99.15 Favored 'Isoleucine or valine' 0 C--O 1.239 0.534 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 -179.495 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 47.5 m-80 -61.66 -44.63 96.59 Favored 'General case' 0 CA--C 1.506 -0.742 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.625 -175.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 26.8 m -66.26 -39.37 84.07 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.047 0 CA-C-O 121.192 0.52 . . . . 0.0 109.926 175.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -59.04 -48.79 80.3 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.172 178.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 -64.63 -40.71 95.96 Favored 'General case' 0 CA--C 1.499 -1.006 0 N-CA-C 112.011 0.375 . . . . 0.0 112.011 175.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.19 -49.82 65.91 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 179.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.447 ' ND1' ' HB3' ' B' ' 32' ' ' GLU . 96.8 m-70 -71.67 -36.28 70.59 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.428 -0.806 . . . . 0.0 112.348 177.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.475 ' HA ' ' O ' ' B' ' 27' ' ' LYS . 67.6 m -52.76 -37.64 59.78 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-O 121.284 0.564 . . . . 0.0 110.457 178.195 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.77 -25.99 59.67 Favored Glycine 0 N--CA 1.443 -0.852 0 CA-C-N 115.538 -0.756 . . . . 0.0 111.233 179.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . 0.439 ' HG3' ' CD ' ' B' ' 32' ' ' GLU . 34.2 mmtp -66.63 -47.17 73.44 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-O 120.701 0.286 . . . . 0.0 110.49 -176.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.458 ' OE1' ' N ' ' B' ' 29' ' ' SER . 3.6 pt-20 -88.65 -37.91 15.22 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.639 178.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.91 21.97 64.72 Favored Glycine 0 CA--C 1.529 0.93 0 CA-C-N 116.101 -0.499 . . . . 0.0 113.428 173.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 39.2 t70 -58.96 -47.76 83.95 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 177.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.487 ' CG ' ' H ' ' B' ' 26' ' ' TYR . 0.0 OUTLIER 160.59 -67.46 0.0 OUTLIER 'General case' 0 CA--C 1.508 -0.67 0 C-N-CA 125.191 1.396 . . . . 0.0 109.282 172.499 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.487 ' H ' ' CG ' ' B' ' 25' ' ' LYS . 0.3 OUTLIER -132.05 94.49 3.48 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 166.179 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.475 ' O ' ' HA ' ' B' ' 19' ' ' SER . 6.3 mmtp -153.49 158.39 41.27 Favored 'General case' 0 CA--C 1.467 -2.241 0 CA-C-N 115.1 -0.954 . . . . 0.0 110.363 -175.608 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.475 ' HG ' ' HB2' ' B' ' 33' ' ' LEU . 46.2 tp -125.47 117.31 23.36 Favored 'General case' 0 N--CA 1.406 -2.638 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 166.705 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' SER . . . . . 0.458 ' N ' ' OE1' ' B' ' 22' ' ' GLU . 11.5 p -82.31 164.58 21.02 Favored 'General case' 0 C--N 1.297 -1.687 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.41 -178.082 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.642 ' NZ ' ' HA ' ' B' ' 62' ' ' ASP . 10.5 mmmm -71.62 -5.94 37.21 Favored 'General case' 0 C--N 1.314 -0.937 0 C-N-CA 120.075 -0.65 . . . . 0.0 110.171 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 33.6 mttm -65.51 -70.77 0.22 Allowed 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 176.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.447 ' HB3' ' ND1' ' B' ' 18' ' ' HIS . 46.9 mm-40 -69.7 -35.82 75.41 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.612 -1.176 . . . . 0.0 111.633 -178.004 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.475 ' HB2' ' HG ' ' B' ' 28' ' ' LEU . 1.5 tm? -57.07 -46.26 82.62 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.948 -170.149 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.529 ' NZ ' ' HB2' ' B' ' 34' ' ' LYS . 14.7 mtmm -64.87 -46.7 80.72 Favored 'General case' 0 C--N 1.312 -1.024 0 C-N-CA 119.878 -0.729 . . . . 0.0 109.737 -178.758 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -69.47 -44.78 70.5 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.946 -178.037 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.444 ' HG ' ' N ' ' B' ' 37' ' ' LEU . 0.1 OUTLIER -64.16 -43.63 94.57 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.781 -0.367 . . . . 0.0 111.232 179.109 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.444 ' N ' ' HG ' ' B' ' 36' ' ' LEU . 2.5 tm? -62.22 -47.18 85.55 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.736 -177.578 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -65.56 -41.44 92.96 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 119.676 -0.81 . . . . 0.0 109.959 176.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 98.9 m -65.0 -53.71 41.81 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.612 -178.058 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . 0.459 ' HB3' ' HB2' ' A' ' 4' ' ' LEU . 79.2 mm-40 -69.41 -38.64 78.03 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 111.847 0.314 . . . . 0.0 111.847 -177.582 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 10.9 mp -97.04 36.88 1.37 Allowed 'General case' 0 C--N 1.315 -0.895 0 C-N-CA 120.866 -0.334 . . . . 0.0 110.297 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 58.2 m -55.98 -44.41 78.51 Favored 'General case' 0 C--O 1.24 0.6 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.286 -176.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -66.68 -46.77 72.89 Favored Glycine 0 C--O 1.242 0.637 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 177.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . 0.509 ' HD1' ' SD ' ' B' ' 85' ' ' MET . 5.6 m-30 -62.74 -43.51 98.62 Favored 'General case' 0 CA--C 1.51 -0.564 0 CA-C-O 121.046 0.45 . . . . 0.0 110.05 177.041 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.9 tp -60.03 -47.21 86.77 Favored 'General case' 0 C--N 1.309 -1.165 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.354 179.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.514 ' O ' ' NZ ' ' B' ' 49' ' ' LYS . 32.1 t70 -65.62 -39.19 91.22 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.932 178.757 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . 0.585 ' CB ' ' SD ' ' B' ' 85' ' ' MET . . . -62.63 -38.68 91.21 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 -173.513 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.42 ' OE1' ' HB ' ' B' ' 54' ' ' VAL . 1.0 OUTLIER -124.29 43.87 2.89 Favored 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 120.896 -0.322 . . . . 0.0 111.714 -175.072 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.514 ' NZ ' ' O ' ' B' ' 46' ' ' ASP . 39.1 mtmm -62.79 -40.09 96.27 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 176.189 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -63.56 -30.02 71.2 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.42 -1.263 . . . . 0.0 113.262 -178.113 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . 0.592 ' C ' ' H ' ' B' ' 53' ' ' ALA . 12.2 t -62.27 -24.01 33.66 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 C-N-CA 120.399 -0.521 . . . . 0.0 110.742 -174.34 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.406 ' OD2' ' NZ ' ' B' ' 56' ' ' LYS . 0.3 OUTLIER 69.16 -17.65 0.21 Allowed 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 121.127 0.489 . . . . 0.0 110.036 -177.385 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . 0.592 ' H ' ' C ' ' B' ' 51' ' ' VAL . . . -61.34 -37.62 83.98 Favored 'General case' 0 C--O 1.21 -1.0 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 177.476 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . 0.42 ' HB ' ' OE1' ' B' ' 48' ' ' GLN . 7.2 p -59.34 -44.42 92.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 178.078 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -60.59 -49.67 76.6 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.977 0.894 . . . . 0.0 109.575 176.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . 0.406 ' NZ ' ' OD2' ' B' ' 52' ' ' ASP . 33.5 mttp -65.98 -40.35 91.15 Favored 'General case' 0 C--N 1.303 -1.426 0 CA-C-N 114.839 -1.073 . . . . 0.0 112.241 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . 0.571 ' N ' ' O ' ' B' ' 53' ' ' ALA . 75.4 t -63.6 -47.45 91.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 179.171 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 26.4 ptt? -62.63 -39.47 93.91 Favored 'General case' 0 CA--C 1.513 -0.472 0 C-N-CA 120.064 -0.654 . . . . 0.0 109.353 175.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' B' ' 63' ' ' GLU . 63.9 tttp -58.77 -46.36 87.68 Favored 'General case' 0 N--CA 1.441 -0.91 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.261 171.647 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -53.13 -41.33 64.96 Favored 'General case' 0 C--N 1.314 -0.966 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 -179.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.579 ' O ' ' N ' ' B' ' 65' ' ' GLY . 3.3 mm? -64.45 -38.06 89.69 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.586 172.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.642 ' HA ' ' NZ ' ' B' ' 30' ' ' LYS . 50.5 m-20 -67.31 -35.33 79.23 Favored 'General case' 0 C--O 1.242 0.706 0 O-C-N 121.596 -0.69 . . . . 0.0 111.287 174.439 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' B' ' 59' ' ' LYS . 67.2 mm-40 -62.41 -58.67 6.8 Favored 'General case' 0 N--CA 1.448 -0.545 0 O-C-N 123.568 0.542 . . . . 0.0 110.259 175.307 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.477 ' C ' ' H ' ' B' ' 66' ' ' ASP . 6.0 t-20 -74.18 -47.81 33.23 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 121.343 0.592 . . . . 0.0 111.419 179.436 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . 0.579 ' N ' ' O ' ' B' ' 61' ' ' LEU . . . -73.99 43.78 1.24 Allowed Glycine 0 CA--C 1.494 -1.266 0 N-CA-C 110.038 -1.225 . . . . 0.0 110.038 -178.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.477 ' H ' ' C ' ' B' ' 64' ' ' ASN . 6.4 t70 -62.66 -36.03 81.56 Favored 'General case' 0 CA--C 1.509 -0.633 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 178.647 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -104.71 -72.77 0.88 Allowed Glycine 0 N--CA 1.449 -0.442 0 CA-C-N 114.52 -1.218 . . . . 0.0 110.891 179.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -143.08 156.09 44.74 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 123.216 0.607 . . . . 0.0 111.218 -178.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.431 ' CG1' ' O ' ' B' ' 28' ' ' LEU . 0.8 OUTLIER -123.62 129.04 74.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.447 176.109 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -92.7 -170.03 2.35 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-O 121.229 0.537 . . . . 0.0 110.141 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.409 ' CZ ' HD13 ' B' ' 12' ' ' ILE . 68.9 t80 -61.29 -45.22 95.39 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.219 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -61.34 -40.73 95.32 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.573 179.163 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.41 ' HB3' HG22 ' B' ' 69' ' ' VAL . 62.4 mm-40 -70.6 -39.96 73.5 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 121.166 0.508 . . . . 0.0 110.447 173.731 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -61.52 -48.06 82.75 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.895 -0.593 . . . . 0.0 112.592 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 16.1 m -63.96 -41.21 91.77 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 N-CA-C 112.989 0.737 . . . . 0.0 112.989 -177.141 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 12.9 p -62.86 -34.75 67.73 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.425 0 C-N-CA 120.078 -0.649 . . . . 0.0 110.966 -179.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . 0.42 ' CD2' ' HG ' ' B' ' 37' ' ' LEU . 55.1 tp -61.73 -48.61 79.94 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.088 178.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 28.4 m -70.59 -39.72 76.35 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 C-N-CA 120.299 -0.561 . . . . 0.0 110.661 177.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . 0.437 ' HA ' ' CE ' ' A' ' 8' ' ' MET . . . -62.3 -45.83 91.49 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.408 179.409 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . 0.419 ' O ' HG11 ' B' ' 83' ' ' VAL . . . -58.88 -44.25 91.07 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 94.8 mt -64.5 -41.95 96.12 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.351 175.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 21.6 m -62.28 -50.31 72.2 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.886 -179.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . 0.419 HG11 ' O ' ' B' ' 80' ' ' ALA . 7.4 p -62.35 -45.24 99.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 C-N-CA 119.663 -0.815 . . . . 0.0 110.296 179.219 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -58.08 -52.46 65.43 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.52 177.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 85' ' ' MET . . . . . 0.585 ' SD ' ' CB ' ' B' ' 47' ' ' ALA . 0.0 OUTLIER -68.46 -47.57 66.8 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.149 -0.621 . . . . 0.0 112.259 179.445 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . 0.447 ' ND2' ' HG2' ' A' ' 9' ' ' GLU . 1.6 t-20 -64.72 -34.39 78.21 Favored 'General case' 0 C--N 1.317 -0.836 0 C-N-CA 119.644 -0.822 . . . . 0.0 110.226 -175.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . 0.552 ' C ' HD21 ' B' ' 87' ' ' ASN . 0.2 OUTLIER -56.36 -38.06 70.9 Favored 'General case' 0 C--O 1.239 0.518 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 176.284 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.426 ' HB3' ' O ' ' B' ' 85' ' ' MET . 90.2 t80 -58.54 -44.71 89.69 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.891 176.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 40.7 m-85 . . . . . 0 C--N 1.318 -0.802 0 C-N-CA 119.647 -0.821 . . . . 0.0 111.177 177.316 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.244 0.802 0 CA-C-O 120.743 0.306 . . . . 0.0 111.128 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 7' ' ' ALA . 42.5 mp0 -57.89 -40.9 81.38 Favored 'General case' 0 CA--C 1.508 -0.67 0 C-N-CA 120.639 -0.424 . . . . 0.0 110.364 177.282 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.444 ' N ' ' CD2' ' A' ' 4' ' ' LEU . 0.6 OUTLIER -61.2 -42.18 98.14 Favored 'General case' 0 C--N 1.312 -1.044 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 -179.745 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.475 ' CG ' ' HA ' ' B' ' 41' ' ' LEU . 46.6 mt-10 -64.21 -42.33 96.66 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 175.526 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.3 m -61.58 -44.89 96.18 Favored 'General case' 0 C--O 1.244 0.803 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.576 177.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 3' ' ' GLU . . . -58.32 -47.43 83.74 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.718 178.408 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.407 ' HG2' ' O ' ' A' ' 4' ' ' LEU . 93.7 mmm -65.07 -41.32 95.19 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.392 179.252 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -61.88 -35.72 79.15 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.941 176.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 16.5 m -59.97 -43.68 94.92 Favored 'General case' 0 C--N 1.314 -0.956 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 177.122 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.499 HD11 ' SD ' ' B' ' 8' ' ' MET . 89.1 mt -63.21 -39.55 94.95 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.536 175.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.452 HD13 ' CE2' ' A' ' 71' ' ' PHE . 22.1 mm -61.97 -43.38 97.48 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 -179.244 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 70.9 m-20 -60.28 -42.07 94.67 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 -179.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 85.7 t -63.09 -45.49 98.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.678 176.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -58.83 -46.04 88.59 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.646 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 -56.99 -46.36 82.3 Favored 'General case' 0 CA--C 1.511 -0.555 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.354 177.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.504 ' O ' ' HG2' ' A' ' 21' ' ' LYS . . . -57.29 -51.91 67.47 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.137 -175.048 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.457 ' CD2' HD11 ' A' ' 36' ' ' LEU . 92.0 m-70 -68.42 -37.16 80.05 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.854 -179.471 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 40.2 m -53.75 -41.84 67.54 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 178.007 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.99 -39.77 96.68 Favored Glycine 0 N--CA 1.445 -0.747 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.945 176.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.504 ' HG2' ' O ' ' A' ' 17' ' ' ALA . 33.3 mmtm -64.3 -45.24 88.82 Favored 'General case' 0 CA--C 1.507 -0.674 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.416 -175.831 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.478 ' CB ' ' HG ' ' A' ' 29' ' ' SER . 0.1 OUTLIER -72.06 -41.21 67.68 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 120.145 -0.622 . . . . 0.0 111.623 -179.104 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 136.22 -8.63 4.1 Favored Glycine 0 CA--C 1.523 0.592 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.961 175.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -80.61 149.84 29.72 Favored 'General case' 0 CA--C 1.508 -0.659 0 CA-C-N 117.501 0.651 . . . . 0.0 111.06 -178.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.498 ' HE3' ' CZ ' ' A' ' 26' ' ' TYR . 47.3 pttt -64.66 -39.55 93.88 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 172.284 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.498 ' CZ ' ' HE3' ' A' ' 25' ' ' LYS . 5.3 p90 -162.64 92.25 0.78 Allowed 'General case' 0 C--O 1.238 0.471 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.21 170.193 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.2 mmmm -163.66 162.95 24.43 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 106.076 -1.824 . . . . 0.0 106.076 170.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.451 ' HB3' ' O ' ' A' ' 69' ' ' VAL . 44.4 tp -124.04 129.15 50.42 Favored 'General case' 0 C--N 1.308 -1.222 0 C-N-CA 119.988 -0.685 . . . . 0.0 110.183 178.086 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.478 ' HG ' ' CB ' ' A' ' 22' ' ' GLU . 15.7 p -81.47 163.72 22.54 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.97 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.445 ' NZ ' ' HA ' ' A' ' 62' ' ' ASP . 7.4 mmmm -75.85 -4.2 39.43 Favored 'General case' 0 C--N 1.314 -0.953 0 C-N-CA 120.117 -0.633 . . . . 0.0 109.883 176.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 39.3 mttm -74.62 -63.23 1.29 Allowed 'General case' 0 CA--C 1.52 -0.207 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 177.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.492 ' O ' ' N ' ' A' ' 36' ' ' LEU . 75.4 mm-40 -67.11 -37.57 84.13 Favored 'General case' 0 N--CA 1.442 -0.834 0 CA-C-N 114.033 -1.44 . . . . 0.0 111.751 -177.12 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -58.68 -43.34 89.93 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.499 -0.48 . . . . 0.0 110.154 -175.388 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -62.7 -46.85 86.21 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 119.874 -0.73 . . . . 0.0 109.691 179.064 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 66.4 tt0 -65.43 -44.38 87.52 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.624 178.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 32' ' ' GLU . 17.2 tp -60.83 -48.79 80.22 Favored 'General case' 0 C--N 1.298 -1.655 0 CA-C-N 114.808 -1.087 . . . . 0.0 111.903 178.069 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -63.58 -45.65 89.42 Favored 'General case' 0 C--N 1.306 -1.283 0 C-N-CA 120.452 -0.499 . . . . 0.0 110.692 -177.122 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -68.53 -41.42 79.9 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.159 -0.616 . . . . 0.0 110.889 176.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 73.9 m -61.9 -51.12 69.47 Favored 'General case' 0 N--CA 1.442 -0.841 0 CA-C-N 115.902 -0.59 . . . . 0.0 112.024 -178.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -83.92 -35.77 23.81 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 113.116 0.784 . . . . 0.0 113.116 -174.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.4 mp -105.65 37.7 2.17 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-O 120.579 0.228 . . . . 0.0 111.279 -178.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.4 m -56.1 -39.22 71.82 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 -178.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -62.05 -50.21 67.69 Favored Glycine 0 CA--C 1.52 0.389 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.747 178.042 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.474 ' HA ' ' SD ' ' A' ' 85' ' ' MET . 33.1 m-85 -67.88 -42.24 81.52 Favored 'General case' 0 CA--C 1.499 -0.981 0 CA-C-O 121.457 0.646 . . . . 0.0 109.961 177.472 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 49.1 tp -63.06 -48.34 79.08 Favored 'General case' 0 N--CA 1.432 -1.332 0 CA-C-N 115.127 -0.942 . . . . 0.0 111.593 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -70.86 -41.31 71.57 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -178.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.578 ' HB3' ' SD ' ' A' ' 85' ' ' MET . . . -56.08 -44.56 79.1 Favored 'General case' 0 CA--C 1.509 -0.607 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.364 -175.624 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -120.09 52.22 1.15 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.236 0.541 . . . . 0.0 110.295 176.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.2 ttmm -59.65 -41.63 90.98 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.202 -175.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.455 ' C ' ' H ' ' A' ' 52' ' ' ASP . 39.0 t70 -111.57 17.21 20.21 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 -173.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.542 ' O ' ' N ' ' A' ' 53' ' ' ALA . 35.3 t -74.42 21.37 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 N-CA-C 111.79 0.293 . . . . 0.0 111.79 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.455 ' H ' ' C ' ' A' ' 50' ' ' ASP . 40.9 t0 59.39 -47.67 0.07 Allowed 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 112.788 0.662 . . . . 0.0 112.788 174.801 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.542 ' N ' ' O ' ' A' ' 51' ' ' VAL . . . -58.48 -36.54 73.9 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.808 0.337 . . . . 0.0 110.428 -178.559 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.3 p -58.8 -47.72 88.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.361 179.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.593 ' O ' ' N ' ' A' ' 59' ' ' LYS . 25.4 t70 -59.44 -48.83 80.14 Favored 'General case' 0 CA--C 1.495 -1.151 0 CA-C-O 121.132 0.491 . . . . 0.0 109.684 176.284 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.442 ' HZ3' ' CG ' ' A' ' 52' ' ' ASP . 37.0 mttp -62.68 -41.77 99.28 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.822 -176.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.454 HG11 ' CD1' ' A' ' 77' ' ' LEU . 98.5 t -62.1 -45.68 98.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 174.253 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 14.4 mmm -61.92 -40.06 94.17 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-O 121.564 0.697 . . . . 0.0 109.251 175.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.593 ' N ' ' O ' ' A' ' 55' ' ' ASP . 0.1 OUTLIER -61.07 -46.91 88.76 Favored 'General case' 0 N--CA 1.431 -1.408 0 CA-C-N 114.706 -1.134 . . . . 0.0 109.306 -176.498 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -62.04 -40.01 94.27 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.166 179.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.407 ' HG ' ' CD1' ' A' ' 77' ' ' LEU . 3.3 mm? -61.7 -39.82 92.83 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.293 -0.563 . . . . 0.0 110.176 176.357 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.445 ' HA ' ' NZ ' ' A' ' 30' ' ' LYS 0.416 5.0 m-20 -85.23 -11.05 55.78 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 115.446 1.647 . . . . 0.0 115.446 176.604 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.504 ' HG3' ' O ' ' A' ' 59' ' ' LYS . 97.7 mt-10 -64.36 -36.64 84.81 Favored 'General case' 0 CA--C 1.501 -0.934 0 N-CA-C 105.459 -2.052 . . . . 0.0 105.459 163.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.435 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . 8.2 t-20 -79.52 37.52 0.34 Allowed 'General case' 0 N--CA 1.441 -0.914 0 CA-C-N 113.541 -1.663 . . . . 0.0 108.769 167.787 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.481 ' H ' ' C ' ' A' ' 63' ' ' GLU . . . -91.95 18.37 53.72 Favored Glycine 0 CA--C 1.506 -0.527 0 N-CA-C 108.362 -1.895 . . . . 0.0 108.362 178.281 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -60.22 -43.24 96.17 Favored 'General case' 0 N--CA 1.436 -1.16 0 CA-C-N 114.255 -0.973 . . . . 0.0 110.835 -177.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -156.1 -82.73 0.04 OUTLIER Glycine 0 C--N 1.319 -0.363 0 N-CA-C 111.508 -0.637 . . . . 0.0 111.508 179.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -121.09 164.84 16.19 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.567 0.222 . . . . 0.0 111.031 -177.122 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.451 ' O ' ' HB3' ' A' ' 28' ' ' LEU . 1.6 p -120.67 129.08 76.01 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 N-CA-C 107.685 -1.228 . . . . 0.0 107.685 170.174 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.594 ' CG ' ' N ' ' A' ' 71' ' ' PHE . 1.0 OUTLIER -95.11 -179.54 4.85 Favored 'General case' 0 C--N 1.313 -1.019 0 C-N-CA 120.659 -0.417 . . . . 0.0 110.568 -175.913 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.594 ' N ' ' CG ' ' A' ' 70' ' ' ASP . 66.0 t80 -58.39 -42.83 87.97 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 -176.659 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.489 ' O ' HG22 ' A' ' 75' ' ' VAL . 27.0 mt-30 -59.27 -44.05 92.45 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.488 -179.249 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.41 ' OE1' ' N ' ' A' ' 73' ' ' GLU . 56.5 mp0 -69.62 -39.15 77.36 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.287 0.565 . . . . 0.0 109.993 176.325 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -60.73 -49.75 76.23 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.832 177.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.489 HG22 ' O ' ' A' ' 72' ' ' GLN . 24.9 m -63.94 -43.32 97.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 C-N-CA 120.13 -0.628 . . . . 0.0 112.058 -179.058 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.431 ' O ' ' N ' ' A' ' 80' ' ' ALA . 14.7 p -64.87 -38.3 82.39 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 C-N-CA 120.348 -0.541 . . . . 0.0 110.689 -179.141 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.454 ' CD1' HG11 ' A' ' 57' ' ' VAL . 49.4 tp -60.86 -49.7 76.42 Favored 'General case' 0 CA--C 1.508 -0.662 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.809 179.376 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 22.0 m -66.52 -42.1 89.56 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.04 0 C-N-CA 119.604 -0.839 . . . . 0.0 110.121 177.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.77 -42.82 99.86 Favored 'General case' 0 CA--C 1.51 -0.585 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.149 179.045 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 76' ' ' VAL . . . -57.02 -48.77 77.69 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-O 121.369 0.604 . . . . 0.0 109.841 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 87.8 mt -62.69 -40.87 98.47 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.498 -0.773 . . . . 0.0 109.159 176.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.441 ' O ' ' HB2' ' A' ' 86' ' ' ASN . 17.3 m -62.24 -51.53 67.4 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.284 179.305 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.425 HG22 ' CH2' ' A' ' 90' ' ' TRP . 5.1 p -63.17 -43.41 98.82 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.373 0 C-N-CA 119.896 -0.722 . . . . 0.0 111.226 178.654 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.0 -52.5 65.0 Favored 'General case' 0 N--CA 1.446 -0.65 0 C-N-CA 120.15 -0.62 . . . . 0.0 110.585 178.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' MET . . . . . 0.578 ' SD ' ' HB3' ' A' ' 47' ' ' ALA . 15.8 ttp -75.61 -42.37 51.98 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 119.816 -0.754 . . . . 0.0 111.459 -179.041 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.6 ' OD1' ' NE1' ' A' ' 90' ' ' TRP . 2.1 t-20 -63.46 -34.0 76.8 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 -178.559 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.66 ' HA ' ' CD2' ' A' ' 90' ' ' TRP . 16.4 t-20 -57.45 -38.08 73.89 Favored 'General case' 0 CA--C 1.513 -0.45 0 C-N-CA 120.424 -0.51 . . . . 0.0 109.645 175.123 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.433 ' HB3' ' O ' ' A' ' 85' ' ' MET . 90.1 t80 -59.02 -42.95 91.41 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 172.302 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.465 ' HB2' ' O ' ' A' ' 86' ' ' ASN . 20.0 m-30 -58.81 -42.92 90.28 Favored 'General case' 0 C--O 1.232 0.181 0 C-N-CA 120.282 -0.567 . . . . 0.0 109.495 174.398 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . 0.66 ' CD2' ' HA ' ' A' ' 87' ' ' ASN . 20.2 m0 . . . . . 0 CA--C 1.501 -0.933 0 CA-C-O 121.486 0.66 . . . . 0.0 109.512 179.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 18.1 m . . . . . 0 C--O 1.239 0.52 0 CA-C-O 120.794 0.331 . . . . 0.0 111.404 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 45.5 mp0 -55.86 -23.03 28.43 Favored 'General case' 0 CA--C 1.513 -0.465 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 175.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.414 ' O ' ' HG2' ' B' ' 8' ' ' MET . 2.9 mm? -61.32 -39.86 92.08 Favored 'General case' 0 N--CA 1.438 -1.033 0 CA-C-N 115.327 -0.851 . . . . 0.0 108.806 -178.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -61.68 -41.06 97.05 Favored 'General case' 0 N--CA 1.446 -0.673 0 C-N-CA 119.869 -0.732 . . . . 0.0 109.308 175.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' THR . . . . . 0.448 ' O ' ' N ' ' B' ' 10' ' ' THR . 8.4 m -62.8 -45.8 90.93 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.135 0.493 . . . . 0.0 109.826 174.796 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.95 -47.47 82.82 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.53 -0.545 . . . . 0.0 109.53 177.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' MET . . . . . 0.499 ' SD ' HD11 ' A' ' 11' ' ' LEU . 97.7 mmm -63.93 -41.87 97.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.326 177.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 72.6 mt-10 -66.73 -34.54 78.07 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 120.64 -0.424 . . . . 0.0 111.502 177.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' THR . . . . . 0.448 ' N ' ' O ' ' B' ' 6' ' ' THR . 9.0 m -58.29 -43.19 87.92 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 175.148 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.437 ' HB2' ' O ' ' B' ' 8' ' ' MET . 67.7 mt -61.85 -42.06 98.59 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.687 175.247 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.457 HD11 ' CE2' ' B' ' 71' ' ' PHE . 21.1 mm -63.08 -44.16 99.38 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 CA-C-O 121.133 0.492 . . . . 0.0 109.789 -178.537 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 51.3 m-80 -62.41 -41.61 98.81 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.698 -175.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . 0.403 ' CG2' HD22 ' A' ' 4' ' ' LEU . 97.7 t -62.94 -44.22 99.49 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 176.703 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -57.38 -46.87 82.94 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 178.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -59.96 -45.3 93.12 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.231 175.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . 0.459 ' O ' ' HG2' ' B' ' 21' ' ' LYS . . . -53.46 -34.42 57.86 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.009 -178.619 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 86.8 m-70 -88.41 -36.49 16.5 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 178.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 73.4 m -57.68 -42.54 83.85 Favored 'General case' 0 C--O 1.239 0.548 0 C-N-CA 120.267 -0.573 . . . . 0.0 110.131 179.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.48 -40.28 92.02 Favored Glycine 0 N--CA 1.446 -0.634 0 N-CA-C 109.454 -1.458 . . . . 0.0 109.454 177.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . 0.459 ' HG2' ' O ' ' B' ' 17' ' ' ALA . 11.4 mmtp -71.62 -48.32 48.71 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.101 0.477 . . . . 0.0 109.839 178.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.439 ' HB2' ' HG ' ' B' ' 29' ' ' SER . 0.2 OUTLIER -66.21 -46.14 78.29 Favored 'General case' 0 C--O 1.238 0.481 0 N-CA-C 114.108 1.151 . . . . 0.0 114.108 -171.357 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 162.86 -69.53 0.22 Allowed Glycine 0 C--O 1.238 0.381 0 C-N-CA 119.292 -1.432 . . . . 0.0 112.883 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -71.14 161.18 31.55 Favored 'General case' 0 CA--C 1.509 -0.625 0 CA-C-O 121.366 0.603 . . . . 0.0 112.14 -175.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.448 ' HD2' ' CE2' ' B' ' 26' ' ' TYR . 7.0 pttm -55.52 -40.15 71.43 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 114.718 -1.128 . . . . 0.0 108.962 175.491 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.483 ' CG ' ' CE3' ' A' ' 90' ' ' TRP . 1.7 p90 -148.95 93.63 2.13 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.244 172.41 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 7.2 mmmm -159.51 158.83 32.6 Favored 'General case' 0 CA--C 1.49 -1.329 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 171.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 52.1 tp -125.45 126.44 44.93 Favored 'General case' 0 C--N 1.3 -1.577 0 C-N-CA 120.169 -0.612 . . . . 0.0 109.415 173.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' SER . . . . . 0.439 ' HG ' ' HB2' ' B' ' 22' ' ' GLU . 6.0 p -88.64 161.36 16.92 Favored 'General case' 0 N--CA 1.433 -1.276 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 171.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.688 ' NZ ' ' HA ' ' B' ' 62' ' ' ASP . 11.3 mmmm -69.34 -4.54 18.63 Favored 'General case' 0 C--N 1.3 -1.569 0 C-N-CA 120.284 -0.567 . . . . 0.0 110.352 -178.282 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 54.2 mttm -61.55 -47.14 86.91 Favored 'General case' 0 CA--C 1.508 -0.636 0 CA-C-N 114.916 -1.038 . . . . 0.0 109.164 -177.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.488 ' O ' ' N ' ' B' ' 36' ' ' LEU . 4.5 mt-10 -101.54 -22.14 14.57 Favored 'General case' 0 C--O 1.213 -0.857 0 CA-C-N 114.853 -1.067 . . . . 0.0 110.969 -175.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.406 ' HA ' ' HB3' ' B' ' 36' ' ' LEU . 2.8 tm? -57.39 -42.53 82.4 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 -177.738 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -62.49 -45.33 93.52 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 119.699 -0.8 . . . . 0.0 110.104 178.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -68.25 -43.98 76.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.811 0.815 . . . . 0.0 109.849 177.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.488 ' N ' ' O ' ' B' ' 32' ' ' GLU . 22.3 tp -61.08 -48.15 83.02 Favored 'General case' 0 C--N 1.304 -1.398 0 CA-C-N 114.643 -1.162 . . . . 0.0 111.966 179.151 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.466 ' C ' ' CD2' ' B' ' 37' ' ' LEU . 0.1 OUTLIER -62.37 -47.67 83.16 Favored 'General case' 0 C--N 1.316 -0.859 0 C-N-CA 120.163 -0.615 . . . . 0.0 110.343 -176.735 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -64.88 -43.45 92.9 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.298 -0.561 . . . . 0.0 110.996 176.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 70.8 m -62.73 -53.16 58.62 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.617 -177.028 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -73.82 -39.25 64.21 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 -176.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.475 ' HA ' ' CG ' ' A' ' 5' ' ' GLU . 10.8 mp -92.6 44.89 1.17 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.83 0.348 . . . . 0.0 110.49 176.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 51.6 m -53.61 -44.22 69.27 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.819 -175.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -66.76 -50.36 48.57 Favored Glycine 0 C--O 1.242 0.644 0 C-N-CA 120.649 -0.786 . . . . 0.0 111.298 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . 0.632 ' HD1' ' SD ' ' B' ' 85' ' ' MET . 79.8 m-85 -66.42 -41.36 89.35 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-O 121.275 0.56 . . . . 0.0 110.118 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.536 ' HA ' ' NE2' ' B' ' 48' ' ' GLN . 2.0 tp -48.0 -51.36 24.23 Favored 'General case' 0 CA--C 1.504 -0.794 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.852 -179.515 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.401 ' N ' ' HG ' ' B' ' 45' ' ' LEU . 30.7 t70 -62.69 -42.37 99.6 Favored 'General case' 0 C--N 1.3 -1.553 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.923 -177.422 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . 0.62 ' HB3' ' SD ' ' B' ' 85' ' ' MET . . . -70.9 -41.15 71.67 Favored 'General case' 0 C--N 1.313 -0.993 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -175.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.589 ' HG3' ' SD ' ' B' ' 85' ' ' MET . 1.7 mt-30 -71.15 -16.51 62.54 Favored 'General case' 0 C--N 1.313 -0.987 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -171.474 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -58.19 -40.68 82.15 Favored 'General case' 0 CA--C 1.5 -0.972 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 -176.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -66.4 -30.84 71.3 Favored 'General case' 0 C--N 1.309 -1.195 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.598 178.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 54.6 t -69.2 -41.56 81.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.773 -178.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.414 ' O ' ' HB3' ' B' ' 55' ' ' ASP . 0.7 OUTLIER 73.63 -7.18 1.62 Allowed 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 115.002 -0.999 . . . . 0.0 111.539 -176.914 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.19 -37.69 78.25 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 174.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . 0.416 ' HA ' HD22 ' B' ' 81' ' ' LEU . 7.6 p -57.08 -42.77 80.06 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.443 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.781 179.019 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.414 ' HB3' ' O ' ' B' ' 52' ' ' ASP . 1.5 t70 -53.15 -53.1 55.49 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.788 175.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 21.0 mttp -65.83 -40.86 92.18 Favored 'General case' 0 C--N 1.298 -1.638 0 CA-C-N 114.636 -1.165 . . . . 0.0 111.353 -178.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 60.0 t -62.13 -45.83 97.85 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 177.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 2.1 mtm -61.75 -42.26 98.74 Favored 'General case' 0 CA--C 1.5 -0.948 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 177.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . 0.421 ' CB ' ' HZ3' ' B' ' 59' ' ' LYS . 0.1 OUTLIER -62.39 -42.51 99.48 Favored 'General case' 0 C--N 1.305 -1.361 0 CA-C-N 114.717 -1.129 . . . . 0.0 109.831 -177.855 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' B' ' 64' ' ' ASN . 42.1 tt0 -59.39 -42.51 91.89 Favored 'General case' 0 CA--C 1.517 -0.315 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 177.032 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.475 ' O ' ' N ' ' B' ' 65' ' ' GLY . 1.9 mm? -62.4 -39.03 91.92 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.132 -0.486 . . . . 0.0 109.889 173.144 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.688 ' HA ' ' NZ ' ' B' ' 30' ' ' LYS . 59.2 m-20 -66.5 -39.35 88.66 Favored 'General case' 0 C--N 1.316 -0.867 0 C-N-CA 120.26 -0.576 . . . . 0.0 111.03 176.552 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' B' ' 59' ' ' LYS . 99.6 mt-10 -65.8 -41.74 91.56 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 172.725 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.541 ' C ' ' H ' ' B' ' 66' ' ' ASP . 2.0 m-80 -75.83 -1.55 25.76 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 114.973 -1.012 . . . . 0.0 109.833 175.53 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' B' ' 61' ' ' LEU . . . -74.75 44.19 1.47 Allowed Glycine 0 N--CA 1.449 -0.47 0 N-CA-C 108.753 -1.739 . . . . 0.0 108.753 175.141 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.541 ' H ' ' C ' ' B' ' 64' ' ' ASN . 16.9 t70 -64.11 -39.14 93.39 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 115.055 -0.573 . . . . 0.0 110.15 -176.139 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -138.11 -77.82 0.07 OUTLIER Glycine 0 C--N 1.318 -0.437 0 N-CA-C 109.942 -1.263 . . . . 0.0 109.942 178.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -133.67 166.6 22.23 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 178.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 1.8 p -110.4 125.16 67.65 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.665 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 172.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.32 -173.83 2.89 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-O 121.074 0.464 . . . . 0.0 110.455 -178.163 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.457 ' CE2' HD11 ' B' ' 12' ' ' ILE . 64.3 t80 -60.27 -44.7 95.1 Favored 'General case' 0 C--N 1.309 -1.195 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.565 179.322 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . 0.456 ' O ' HG23 ' B' ' 75' ' ' VAL . 25.4 mt-30 -59.22 -42.12 90.27 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.89 177.617 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -69.73 -41.21 75.58 Favored 'General case' 0 C--O 1.24 0.57 0 C-N-CA 119.861 -0.735 . . . . 0.0 110.762 175.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . 0.405 ' CE1' HD21 ' B' ' 36' ' ' LEU . 29.6 t80 -61.18 -48.67 80.5 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.318 178.667 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . 0.456 HG23 ' O ' ' B' ' 72' ' ' GLN . 27.6 m -64.86 -43.0 96.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 C-N-CA 120.261 -0.576 . . . . 0.0 112.5 -179.56 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 13.1 p -64.65 -39.66 86.39 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 C-N-CA 120.292 -0.563 . . . . 0.0 110.305 -178.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 52.6 tp -61.03 -48.0 83.8 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.569 -179.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 22.3 m -67.48 -42.26 86.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 C-N-CA 119.755 -0.778 . . . . 0.0 110.462 175.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.17 -41.25 97.21 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.728 -179.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . 0.491 ' O ' HG11 ' B' ' 83' ' ' VAL . . . -60.4 -44.63 95.5 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 177.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.51 ' HB3' ' OE1' ' B' ' 48' ' ' GLN . 97.4 mt -63.46 -41.75 98.62 Favored 'General case' 0 C--N 1.305 -1.326 0 CA-C-N 114.864 -1.062 . . . . 0.0 109.981 175.34 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.4 HG23 ' ND2' ' B' ' 86' ' ' ASN . 17.7 m -61.66 -48.92 78.64 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.86 177.037 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . 0.491 HG11 ' O ' ' B' ' 80' ' ' ALA . 0.4 OUTLIER -63.9 -42.11 94.72 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.354 179.683 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -51.29 -60.83 2.69 Favored 'General case' 0 C--O 1.239 0.502 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.433 -179.066 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 85' ' ' MET . . . . . 0.632 ' SD ' ' HD1' ' B' ' 44' ' ' PHE . 87.2 mtp -66.27 -41.6 89.63 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.583 -0.447 . . . . 0.0 112.03 176.702 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . 0.4 ' ND2' HG23 ' B' ' 82' ' ' THR . 28.3 m-80 -62.24 -40.27 95.62 Favored 'General case' 0 CA--C 1.497 -1.065 0 C-N-CA 119.86 -0.736 . . . . 0.0 111.671 -179.395 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -58.64 -40.68 84.08 Favored 'General case' 0 N--CA 1.443 -0.789 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 175.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -61.07 -45.23 95.58 Favored 'General case' 0 C--O 1.212 -0.887 0 C-N-CA 120.08 -0.648 . . . . 0.0 110.38 170.157 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 19.6 m-30 . . . . . 0 C--N 1.326 -0.443 0 C-N-CA 120.073 -0.651 . . . . 0.0 109.711 178.969 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m . . . . . 0 C--O 1.237 0.408 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -59.35 -38.28 80.0 Favored 'General case' 0 CA--C 1.507 -0.684 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 175.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.481 ' O ' ' HG2' ' A' ' 8' ' ' MET . 4.3 mm? -61.54 -44.47 96.98 Favored 'General case' 0 C--N 1.314 -0.95 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 178.027 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.414 ' HG2' ' CD1' ' B' ' 44' ' ' PHE . 99.4 mt-10 -64.39 -42.4 96.14 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.067 -0.969 . . . . 0.0 109.674 175.558 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.1 m -61.22 -45.73 93.36 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.555 178.148 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.29 -41.84 97.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.099 177.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.481 ' HG2' ' O ' ' A' ' 4' ' ' LEU . 93.1 mmm -64.47 -40.8 96.36 Favored 'General case' 0 C--O 1.238 0.493 0 C-N-CA 120.603 -0.439 . . . . 0.0 110.964 177.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -64.21 -38.11 89.87 Favored 'General case' 0 CA--C 1.515 -0.371 0 C-N-CA 120.053 -0.659 . . . . 0.0 109.891 176.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 18.0 m -57.11 -46.04 82.93 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.401 HD13 ' SD ' ' B' ' 8' ' ' MET . 94.7 mt -63.85 -41.18 97.85 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.256 175.6 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 24.1 mm -62.89 -43.25 98.79 Favored 'Isoleucine or valine' 0 C--O 1.237 0.42 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.199 178.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -59.46 -44.53 92.97 Favored 'General case' 0 CA--C 1.509 -0.611 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 -178.06 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.448 ' CG1' HD12 ' A' ' 36' ' ' LEU . 74.3 t -67.29 -43.81 87.82 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.312 175.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.437 ' CE1' ' HB2' ' A' ' 28' ' ' LEU . 69.5 t80 -57.85 -46.63 84.5 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.615 ' NE2' ' OD1' ' B' ' 86' ' ' ASN . 11.9 m-70 -60.49 -48.0 83.68 Favored 'General case' 0 CA--C 1.503 -0.862 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.975 179.522 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.509 ' O ' ' HG2' ' A' ' 21' ' ' LYS . . . -55.28 -50.19 70.16 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.933 -175.807 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -67.49 -40.29 85.22 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 177.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 28.0 m -56.96 -41.42 78.27 Favored 'General case' 0 C--O 1.24 0.581 0 CA-C-O 121.706 0.765 . . . . 0.0 109.05 175.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.99 -40.09 95.04 Favored Glycine 0 N--CA 1.444 -0.79 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.211 -179.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.509 ' HG2' ' O ' ' A' ' 17' ' ' ALA . 43.2 mmtm -66.65 -48.37 69.6 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.757 -0.377 . . . . 0.0 111.32 -174.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.489 ' HG2' ' HD2' ' A' ' 31' ' ' LYS . 70.9 mt-10 -70.14 -44.92 67.88 Favored 'General case' 0 C--O 1.24 0.573 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.17 -171.179 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 152.71 -25.46 0.84 Allowed Glycine 0 CA--C 1.533 1.193 0 C-N-CA 119.7 -1.238 . . . . 0.0 114.525 176.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.492 ' CB ' ' HB2' ' A' ' 27' ' ' LYS . 6.3 t70 -77.38 160.74 28.54 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 117.924 0.862 . . . . 0.0 112.366 -175.535 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.489 ' HB3' ' CD2' ' A' ' 26' ' ' TYR 0.254 74.2 mmtt -62.81 -49.41 75.06 Favored 'General case' 0 CA--C 1.486 -1.518 0 N-CA-C 107.292 -1.373 . . . . 0.0 107.292 171.345 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.489 ' CD2' ' HB3' ' A' ' 25' ' ' LYS . 1.1 p90 -158.33 92.52 1.16 Allowed 'General case' 0 N--CA 1.416 -2.126 0 CA-C-N 113.602 -1.636 . . . . 0.0 109.988 178.528 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.492 ' HB2' ' CB ' ' A' ' 24' ' ' ASP . 21.5 mmmt -156.31 157.23 35.35 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 106.09 -1.818 . . . . 0.0 106.09 172.615 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.437 ' HB2' ' CE1' ' A' ' 15' ' ' PHE . 38.3 tp -123.05 127.94 49.46 Favored 'General case' 0 C--N 1.302 -1.491 0 C-N-CA 119.784 -0.766 . . . . 0.0 109.18 176.638 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.473 ' HG ' ' CD ' ' A' ' 22' ' ' GLU . 0.9 OUTLIER -105.01 -178.33 3.62 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 179.942 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.57 ' CE ' ' HA ' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -82.74 -5.42 58.9 Favored 'General case' 0 C--N 1.307 -1.248 0 C-N-CA 119.601 -0.839 . . . . 0.0 111.664 -175.335 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.489 ' HD2' ' HG2' ' A' ' 22' ' ' GLU . 35.8 mttt -65.56 -45.42 83.4 Favored 'General case' 0 CA--C 1.505 -0.779 0 N-CA-C 107.651 -1.24 . . . . 0.0 107.651 179.059 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.519 ' O ' ' N ' ' A' ' 36' ' ' LEU . 74.8 mm-40 -97.25 -40.68 8.65 Favored 'General case' 0 N--CA 1.431 -1.389 0 CA-C-N 113.908 -1.496 . . . . 0.0 112.093 -174.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.412 ' HG ' HG11 ' A' ' 69' ' ' VAL . 2.7 tm? -58.87 -44.94 91.18 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 120.947 -0.301 . . . . 0.0 111.434 -172.423 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.4 mtpp -61.71 -42.01 98.38 Favored 'General case' 0 C--N 1.313 -1.021 0 C-N-CA 120.159 -0.616 . . . . 0.0 109.528 -179.174 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -72.67 -43.6 62.93 Favored 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.551 177.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.519 ' N ' ' O ' ' A' ' 32' ' ' GLU . 2.9 tp -61.45 -48.53 80.73 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.214 -0.903 . . . . 0.0 112.321 -178.695 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.505 ' CD1' ' SD ' ' A' ' 58' ' ' MET . 2.8 tm? -62.5 -46.57 87.85 Favored 'General case' 0 C--N 1.317 -0.846 0 C-N-CA 119.935 -0.706 . . . . 0.0 110.962 -174.364 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -65.57 -42.69 91.49 Favored 'General case' 0 C--N 1.316 -0.861 0 C-N-CA 120.146 -0.621 . . . . 0.0 110.24 176.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 97.8 m -64.16 -52.38 59.29 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 112.832 0.678 . . . . 0.0 112.832 -176.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -76.15 -39.87 53.96 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 113.255 0.835 . . . . 0.0 113.255 -174.243 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.2 mp -87.32 38.08 0.8 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.027 0.441 . . . . 0.0 111.126 -179.009 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -41.83 -56.14 2.81 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-N 115.569 -0.741 . . . . 0.0 112.151 -178.346 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -66.05 -43.79 92.72 Favored Glycine 0 C--N 1.317 -0.492 0 N-CA-C 111.67 -0.572 . . . . 0.0 111.67 -178.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.604 ' HA ' ' SD ' ' A' ' 85' ' ' MET . 47.4 m-85 -66.79 -42.66 85.65 Favored 'General case' 0 CA--C 1.498 -1.032 0 CA-C-O 121.261 0.553 . . . . 0.0 109.952 179.476 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 49.6 tp -61.71 -47.82 83.56 Favored 'General case' 0 N--CA 1.432 -1.346 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.365 177.036 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -62.77 -42.43 99.68 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.143 0.497 . . . . 0.0 110.791 177.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.626 ' HB3' ' SD ' ' A' ' 85' ' ' MET . . . -75.14 -10.19 59.24 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.799 -178.319 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 44.4 mm-40 -111.57 3.23 17.83 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 -177.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -60.54 -32.9 71.93 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 177.229 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -81.2 8.88 7.83 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.375 -0.829 . . . . 0.0 110.914 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.434 ' O ' HG13 ' A' ' 54' ' ' VAL . 75.5 t -120.08 130.67 74.02 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 CA-C-O 121.416 0.627 . . . . 0.0 110.91 -176.374 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -65.37 -39.94 92.92 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.389 177.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.05 -35.17 70.95 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.475 -0.784 . . . . 0.0 113.107 -171.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.434 HG13 ' O ' ' A' ' 51' ' ' VAL . 7.1 p -57.59 -46.66 86.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 C-N-CA 119.744 -0.782 . . . . 0.0 111.001 -175.546 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -58.47 -48.8 79.58 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.12 0.486 . . . . 0.0 110.089 177.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -65.98 -41.33 91.3 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.769 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 57.9 t -60.44 -46.07 95.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 174.465 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.505 ' SD ' ' CD1' ' A' ' 37' ' ' LEU . 30.4 mmm -62.09 -44.25 97.07 Favored 'General case' 0 CA--C 1.504 -0.798 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.012 178.638 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.487 ' O ' ' HG2' ' A' ' 63' ' ' GLU . 20.9 tptp -67.65 -46.44 72.43 Favored 'General case' 0 N--CA 1.435 -1.21 0 CA-C-N 114.843 -1.071 . . . . 0.0 111.028 -176.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 -58.84 -46.29 88.07 Favored 'General case' 0 C--O 1.241 0.614 0 C-N-CA 120.351 -0.54 . . . . 0.0 109.737 179.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.403 ' N ' ' CD2' ' A' ' 61' ' ' LEU . 1.8 mm? -63.7 -40.22 96.24 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.45 174.776 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.57 ' HA ' ' CE ' ' A' ' 30' ' ' LYS . 36.2 t70 -61.43 -42.71 99.18 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 120.273 -0.571 . . . . 0.0 110.452 177.47 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.487 ' HG2' ' O ' ' A' ' 59' ' ' LYS . 74.0 mm-40 -57.32 -46.25 83.44 Favored 'General case' 0 CA--C 1.512 -0.517 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 178.394 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.53 ' C ' ' H ' ' A' ' 66' ' ' ASP . 10.0 t-20 -65.23 -41.88 93.95 Favored 'General case' 0 CA--C 1.502 -0.88 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.443 178.346 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.551 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . . . -69.88 40.61 0.43 Allowed Glycine 0 C--O 1.238 0.404 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 178.377 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.53 ' H ' ' C ' ' A' ' 64' ' ' ASN . 32.7 t70 -63.77 -35.06 79.34 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 177.261 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -108.98 -66.53 0.58 Allowed Glycine 0 C--N 1.32 -0.348 0 N-CA-C 109.302 -1.519 . . . . 0.0 109.302 175.181 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -138.9 170.48 15.91 Favored 'General case' 0 CA--C 1.511 -0.526 0 CA-C-O 120.658 0.266 . . . . 0.0 110.366 177.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.418 ' O ' ' HB3' ' A' ' 28' ' ' LEU . 1.5 p -125.41 129.58 72.93 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.099 0 N-CA-C 107.542 -1.281 . . . . 0.0 107.542 169.567 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -94.03 -179.89 5.11 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 119.733 -0.787 . . . . 0.0 111.851 -174.124 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 48.1 t80 -61.25 -44.57 97.03 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.948 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.418 HE21 HG11 ' B' ' 83' ' ' VAL . 76.7 mt-30 -59.93 -44.3 94.43 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.992 179.015 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.465 ' HA ' HG13 ' A' ' 76' ' ' VAL . 61.2 mt-10 -66.48 -40.6 89.42 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 121.1 0.476 . . . . 0.0 110.524 174.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -60.37 -47.96 83.81 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.435 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.507 HG21 ' N ' ' A' ' 76' ' ' VAL . 18.6 m -63.47 -42.86 97.7 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 C-N-CA 119.645 -0.822 . . . . 0.0 111.422 179.219 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.507 ' N ' HG21 ' A' ' 75' ' ' VAL . 14.1 p -67.49 -37.35 78.7 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.759 0 C-N-CA 119.922 -0.711 . . . . 0.0 110.915 -179.221 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 53.2 tp -60.78 -47.66 85.32 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.232 -0.587 . . . . 0.0 109.834 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 10.4 m -70.41 -43.05 78.5 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 C-N-CA 120.452 -0.499 . . . . 0.0 111.001 175.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.432 ' CB ' HG23 ' B' ' 75' ' ' VAL . . . -64.77 -38.92 92.62 Favored 'General case' 0 CA--C 1.511 -0.553 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.32 179.788 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.499 ' N ' ' O ' ' A' ' 76' ' ' VAL . . . -56.79 -48.13 78.61 Favored 'General case' 0 CA--C 1.509 -0.63 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 178.723 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.419 HD21 ' HA ' ' A' ' 54' ' ' VAL . 99.5 mt -63.75 -41.17 98.05 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 115.025 -0.989 . . . . 0.0 109.773 174.797 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.7 m -61.74 -51.05 69.93 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.546 -179.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 13.2 p -62.56 -44.34 99.27 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.424 0 C-N-CA 120.106 -0.637 . . . . 0.0 109.8 179.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.58 -51.61 68.79 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.256 177.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' MET . . . . . 0.626 ' SD ' ' HB3' ' A' ' 47' ' ' ALA . 9.2 ttt -71.13 -44.75 64.97 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.073 -0.651 . . . . 0.0 111.561 -179.804 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -65.94 -25.05 66.95 Favored 'General case' 0 CA--C 1.499 -1.006 0 C-N-CA 120.953 -0.299 . . . . 0.0 111.23 -177.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -55.95 -35.87 67.16 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 178.183 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -60.1 -41.15 91.91 Favored 'General case' 0 C--O 1.214 -0.771 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.953 178.028 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -55.85 -46.8 78.1 Favored 'General case' 0 CA--C 1.512 -0.487 0 CA-C-O 120.989 0.423 . . . . 0.0 110.661 -176.013 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . 0.509 ' CE2' ' CD2' ' B' ' 16' ' ' HIS . 37.4 m95 . . . . . 0 C--N 1.303 -1.433 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.107 -177.109 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 2' ' ' SER . . . . . 0.418 ' O ' ' N ' ' B' ' 5' ' ' GLU . 18.8 m . . . . . 0 N--CA 1.449 -0.498 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' B' ' 7' ' ' ALA . 2.0 mp0 -51.4 -24.72 5.16 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 177.003 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.463 ' O ' ' HG2' ' B' ' 8' ' ' MET . 8.5 mp -61.74 -42.24 98.71 Favored 'General case' 0 N--CA 1.442 -0.851 0 CA-C-N 115.21 -0.905 . . . . 0.0 109.658 177.602 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' B' ' 2' ' ' SER . 31.0 mt-10 -62.49 -42.94 99.84 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 178.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' THR . . . . . 0.423 ' O ' ' N ' ' B' ' 10' ' ' THR . 8.0 m -62.13 -44.57 96.34 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-N 115.272 -0.876 . . . . 0.0 109.103 173.156 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' B' ' 3' ' ' GLU . . . -57.34 -45.08 84.69 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.995 178.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' MET . . . . . 0.463 ' HG2' ' O ' ' B' ' 4' ' ' LEU . 95.9 mmm -63.45 -41.88 98.65 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.332 -0.547 . . . . 0.0 109.879 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -65.35 -37.14 86.15 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 120.325 -0.55 . . . . 0.0 110.463 173.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' THR . . . . . 0.423 ' N ' ' O ' ' B' ' 6' ' ' THR . 8.7 m -58.81 -43.19 90.5 Favored 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 176.327 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.437 ' CD2' HD11 ' A' ' 4' ' ' LEU . 99.4 mt -62.51 -42.6 99.62 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.969 175.011 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.432 HD11 ' CE2' ' B' ' 71' ' ' PHE . 18.4 mm -62.76 -46.09 97.22 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.003 -178.256 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 50.2 m-80 -63.75 -42.28 97.88 Favored 'General case' 0 C--N 1.312 -1.065 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.255 -176.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 77.8 t -64.19 -46.78 92.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 175.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.519 ' CE2' ' HB2' ' B' ' 28' ' ' LEU . 64.1 t80 -57.2 -47.53 81.05 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.36 -0.837 . . . . 0.0 108.781 176.293 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.509 ' CD2' ' CE2' ' A' ' 90' ' ' TRP . 2.2 t-80 -61.51 -44.06 97.74 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.336 -179.031 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.02 -43.33 60.86 Favored 'General case' 0 CA--C 1.508 -0.661 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 -178.164 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.486 ' HB3' ' CB ' ' B' ' 32' ' ' GLU . 97.5 m-70 -69.22 -39.2 78.7 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-N 115.021 -0.991 . . . . 0.0 111.001 175.232 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 75.5 m -56.58 -40.48 75.29 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 176.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.19 -48.2 81.83 Favored Glycine 0 N--CA 1.443 -0.863 0 N-CA-C 109.799 -1.32 . . . . 0.0 109.799 176.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 65.4 mmtt -66.35 -40.6 89.93 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.747 0.308 . . . . 0.0 111.309 178.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -63.57 -35.17 79.61 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.305 176.346 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 107.01 -13.13 41.12 Favored Glycine 0 C--O 1.237 0.338 0 C-N-CA 121.141 -0.552 . . . . 0.0 111.786 175.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -77.83 148.7 34.59 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.616 -0.434 . . . . 0.0 110.337 177.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 18.0 pttm -63.49 -30.87 71.93 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 120.476 -0.49 . . . . 0.0 110.356 176.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 2.1 p90 -164.17 93.35 0.69 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.651 170.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.449 ' HE2' ' HB2' ' B' ' 68' ' ' GLU . 1.1 mmtm -164.12 161.41 22.33 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 114.835 -1.075 . . . . 0.0 108.521 172.064 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.519 ' HB2' ' CE2' ' B' ' 15' ' ' PHE . 47.3 tp -124.64 121.27 34.24 Favored 'General case' 0 C--N 1.306 -1.289 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 174.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 11.3 p -85.89 170.71 12.11 Favored 'General case' 0 C--N 1.315 -0.928 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 176.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.605 ' CE ' ' HA ' ' B' ' 62' ' ' ASP . 3.8 mmmm -72.66 -6.36 43.82 Favored 'General case' 0 C--N 1.315 -0.9 0 C-N-CA 120.139 -0.624 . . . . 0.0 109.786 179.145 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 22.0 mttm -63.53 -65.91 0.62 Allowed 'General case' 0 CA--C 1.511 -0.553 0 CA-C-O 122.311 1.053 . . . . 0.0 108.286 177.298 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.486 ' CB ' ' HB3' ' B' ' 18' ' ' HIS . 70.8 mm-40 -72.86 -39.52 66.43 Favored 'General case' 0 N--CA 1.431 -1.423 0 CA-C-N 113.553 -1.658 . . . . 0.0 112.749 -175.524 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -59.15 -43.96 92.07 Favored 'General case' 0 CA--C 1.51 -0.582 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.203 -173.073 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.44 ' NZ ' ' HB3' ' B' ' 34' ' ' LYS . 9.3 mtpm? -63.02 -43.02 99.89 Favored 'General case' 0 C--N 1.315 -0.907 0 C-N-CA 120.255 -0.578 . . . . 0.0 110.299 179.353 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -66.09 -46.6 77.09 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 177.294 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.423 ' HB2' ' CE1' ' B' ' 18' ' ' HIS . 9.1 tp -62.03 -51.39 68.2 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-N 114.564 -1.198 . . . . 0.0 113.611 -178.053 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -63.53 -47.61 80.94 Favored 'General case' 0 C--N 1.316 -0.856 0 C-N-CA 119.786 -0.766 . . . . 0.0 111.527 -172.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -66.14 -41.54 90.29 Favored 'General case' 0 C--N 1.314 -0.957 0 C-N-CA 120.286 -0.566 . . . . 0.0 110.485 178.191 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 68.8 m -64.84 -55.73 17.75 Favored 'General case' 0 C--O 1.244 0.796 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -177.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -70.88 -40.44 72.25 Favored 'General case' 0 CA--C 1.51 -0.571 0 N-CA-C 112.629 0.603 . . . . 0.0 112.629 -176.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 9.2 mp -98.23 21.9 10.3 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.62 -179.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -48.73 -36.24 15.9 Favored 'General case' 0 N--CA 1.443 -0.782 0 C-N-CA 120.604 -0.438 . . . . 0.0 110.375 -179.273 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -64.76 -51.09 54.8 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 110.894 -0.883 . . . . 0.0 110.894 175.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . 0.414 ' CD1' ' HG2' ' A' ' 5' ' ' GLU . 41.2 m-85 -63.81 -43.12 97.23 Favored 'General case' 0 CA--C 1.509 -0.628 0 CA-C-O 121.225 0.536 . . . . 0.0 110.386 176.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.3 tp -59.14 -47.95 83.4 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.476 179.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -65.05 -41.09 95.47 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-O 121.076 0.465 . . . . 0.0 110.662 173.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . 0.427 ' HB2' ' SD ' ' B' ' 85' ' ' MET . . . -59.7 -47.83 84.09 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.922 -176.506 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.53 ' NE2' ' SD ' ' B' ' 85' ' ' MET . 0.0 OUTLIER -109.69 23.04 14.95 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -179.181 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.58 -29.74 68.16 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 177.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 30.4 p-10 -78.44 -5.9 53.77 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.232 -177.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . 0.439 ' O ' HG12 ' B' ' 54' ' ' VAL . 57.5 t -85.02 127.95 39.43 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.655 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 177.663 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -59.35 -39.17 82.33 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-O 121.358 0.599 . . . . 0.0 110.002 -179.046 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.67 -24.59 61.56 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-N 115.375 -0.83 . . . . 0.0 112.185 -178.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . 0.439 HG12 ' O ' ' B' ' 51' ' ' VAL . 9.4 p -57.77 -45.41 87.05 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 C-N-CA 120.067 -0.653 . . . . 0.0 110.963 -174.485 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -60.98 -48.03 83.71 Favored 'General case' 0 CA--C 1.51 -0.559 0 CA-C-O 121.73 0.776 . . . . 0.0 109.487 177.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 59.6 mttm -64.37 -39.12 93.25 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 114.194 -1.367 . . . . 0.0 111.806 -178.26 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 71.4 t -60.04 -46.76 93.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 176.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 7.2 mmm -62.31 -43.38 98.96 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.675 0.75 . . . . 0.0 109.105 176.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -63.58 -47.29 82.09 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-N 114.482 -1.236 . . . . 0.0 111.292 -176.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 78.8 tt0 -58.92 -42.76 90.46 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 -177.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.5 ' O ' ' N ' ' B' ' 65' ' ' GLY . 2.8 mm? -63.41 -41.01 98.72 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.777 174.444 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.605 ' HA ' ' CE ' ' B' ' 30' ' ' LYS . 44.1 t0 -60.14 -46.66 88.89 Favored 'General case' 0 N--CA 1.443 -0.81 0 C-N-CA 119.546 -0.862 . . . . 0.0 110.137 177.064 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.72 -45.92 90.5 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.595 178.567 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.481 ' C ' ' H ' ' B' ' 66' ' ' ASP . 0.2 OUTLIER -63.81 -41.98 97.77 Favored 'General case' 0 CA--C 1.498 -1.047 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 178.454 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' B' ' 61' ' ' LEU . . . -69.48 50.64 0.62 Allowed Glycine 0 N--CA 1.444 -0.776 0 N-CA-C 109.684 -1.367 . . . . 0.0 109.684 178.206 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.481 ' H ' ' C ' ' B' ' 64' ' ' ASN . 33.6 t70 -61.69 -37.57 84.63 Favored 'General case' 0 CA--C 1.498 -1.052 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 178.414 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -113.52 -73.67 0.62 Allowed Glycine 0 C--N 1.316 -0.551 0 N-CA-C 109.644 -1.383 . . . . 0.0 109.644 175.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.449 ' HB2' ' HE2' ' B' ' 27' ' ' LYS . 0.9 OUTLIER -127.65 178.14 6.32 Favored 'General case' 0 C--N 1.314 -0.946 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 178.676 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.407 ' O ' ' HB3' ' B' ' 28' ' ' LEU . 1.8 p -127.76 133.2 68.0 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.189 0 N-CA-C 107.784 -1.191 . . . . 0.0 107.784 169.795 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -98.07 -178.8 4.18 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 120.344 -0.542 . . . . 0.0 111.815 -174.049 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.432 ' CE2' HD11 ' B' ' 12' ' ' ILE . 65.8 t80 -61.4 -44.63 96.81 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.526 -179.222 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -59.7 -42.7 93.57 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.825 178.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.426 ' HA ' HG11 ' B' ' 76' ' ' VAL . 91.0 mt-10 -67.39 -38.75 85.17 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.475 176.469 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -60.72 -48.23 82.72 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.28 178.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . 0.492 HG21 ' N ' ' B' ' 76' ' ' VAL . 17.6 m -64.48 -42.69 95.98 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 C-N-CA 120.067 -0.653 . . . . 0.0 111.899 179.83 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . 0.492 ' N ' HG21 ' B' ' 75' ' ' VAL . 12.0 p -65.47 -39.65 85.82 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 C-N-CA 120.429 -0.508 . . . . 0.0 110.968 -178.133 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . 0.482 ' CD1' ' HG ' ' B' ' 61' ' ' LEU . 57.4 tp -61.09 -48.27 82.45 Favored 'General case' 0 CA--C 1.515 -0.388 0 C-N-CA 120.412 -0.515 . . . . 0.0 110.063 -179.615 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 15.6 m -69.07 -41.55 81.62 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 C-N-CA 120.336 -0.546 . . . . 0.0 110.736 176.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . 0.402 ' CB ' HG23 ' A' ' 75' ' ' VAL . . . -63.16 -40.09 96.53 Favored 'General case' 0 CA--C 1.507 -0.699 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.06 178.737 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' B' ' 76' ' ' VAL . . . -56.28 -48.74 76.02 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 -179.532 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 98.8 mt -65.57 -41.58 92.77 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.046 174.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 18.5 m -60.44 -46.14 91.12 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.579 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . 0.49 HG12 ' N ' ' B' ' 84' ' ' ALA . 2.7 p -62.68 -41.76 93.5 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.74 0 C-N-CA 120.402 -0.519 . . . . 0.0 109.831 178.063 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . 0.49 ' N ' HG12 ' B' ' 83' ' ' VAL . . . -60.05 -47.86 84.1 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 174.208 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 85' ' ' MET . . . . . 0.53 ' SD ' ' NE2' ' B' ' 48' ' ' GLN . 12.6 tpt -59.26 -43.79 92.44 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.7 177.168 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . 0.615 ' OD1' ' NE2' ' A' ' 16' ' ' HIS . 32.5 t30 -62.34 -43.14 99.52 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.603 178.74 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 32.6 t30 -62.67 -44.42 96.29 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 120.39 -0.524 . . . . 0.0 110.389 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -64.69 -32.68 74.46 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.403 175.286 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 3.6 t80 . . . . . 0 N--CA 1.445 -0.682 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 -177.037 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' SER . . . . . 0.434 ' C ' ' N ' ' A' ' 4' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--O 1.24 0.554 0 CA-C-O 120.828 0.347 . . . . 0.0 111.6 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.409 ' O ' ' N ' ' A' ' 7' ' ' ALA . 1.9 mp0 -41.78 -24.31 0.04 OUTLIER 'General case' 0 CA--C 1.509 -0.613 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.984 178.474 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.478 ' N ' ' CD2' ' A' ' 4' ' ' LEU . 2.3 mm? -61.02 -42.41 98.42 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.819 -174.356 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.428 ' O ' ' HG3' ' A' ' 9' ' ' GLU . 93.2 mt-10 -65.92 -44.03 86.36 Favored 'General case' 0 N--CA 1.443 -0.787 0 C-N-CA 119.729 -0.788 . . . . 0.0 109.706 176.235 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 14.3 m -61.08 -45.55 94.28 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.813 176.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 3' ' ' GLU . . . -55.39 -47.75 75.4 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 178.67 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.597 ' SD ' HD12 ' B' ' 11' ' ' LEU . 94.9 mmm -64.7 -40.75 95.9 Favored 'General case' 0 C--O 1.239 0.55 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.672 177.561 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.428 ' HG3' ' O ' ' A' ' 5' ' ' GLU . 88.7 mt-10 -62.39 -37.54 86.13 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 177.685 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.3 m -59.59 -44.92 93.2 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 178.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.557 HD13 ' SD ' ' B' ' 8' ' ' MET . 85.5 mt -62.86 -40.77 98.49 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.241 175.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 22.1 mm -61.93 -45.53 98.5 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.54 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.053 -179.358 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -61.38 -44.74 96.64 Favored 'General case' 0 C--N 1.316 -0.863 0 C-N-CA 120.749 -0.38 . . . . 0.0 110.521 -177.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 74.2 t -63.99 -48.07 87.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 C-N-CA 120.56 -0.456 . . . . 0.0 110.048 177.443 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.47 ' CE2' ' HB2' ' A' ' 28' ' ' LEU . 56.8 t80 -61.09 -48.52 81.31 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.42 0.628 . . . . 0.0 109.892 177.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -60.57 -45.33 94.35 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.968 -1.015 . . . . 0.0 111.219 -175.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.14 -46.72 79.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.308 -0.405 . . . . 0.0 109.975 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 -67.22 -37.75 84.1 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.994 176.566 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.457 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 25.1 m -56.31 -41.12 75.47 Favored 'General case' 0 CA--C 1.511 -0.52 0 C-N-CA 120.156 -0.618 . . . . 0.0 109.471 177.01 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.51 -36.11 83.26 Favored Glycine 0 N--CA 1.445 -0.737 0 N-CA-C 110.481 -1.048 . . . . 0.0 110.481 178.141 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.5 mmtp -65.08 -47.22 78.03 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -175.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -152.88 -35.45 0.11 Allowed 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 112.616 0.599 . . . . 0.0 112.616 -178.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.5 91.6 0.17 Allowed Glycine 0 CA--C 1.526 0.722 0 C-N-CA 121.585 -0.341 . . . . 0.0 112.75 -172.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.577 ' CG ' ' H ' ' A' ' 25' ' ' LYS . 14.6 t70 37.87 -148.06 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 122.925 0.49 . . . . 0.0 110.288 174.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.577 ' H ' ' CG ' ' A' ' 24' ' ' ASP . 16.1 pttm -93.0 -34.32 13.78 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 169.831 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.418 ' O ' ' HG2' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -131.79 92.37 3.13 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.284 165.143 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.539 ' HZ1' ' CB ' ' A' ' 70' ' ' ASP . 30.9 mmtt -164.17 166.19 21.39 Favored 'General case' 0 CA--C 1.497 -1.092 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.339 175.625 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.47 ' HB2' ' CE2' ' A' ' 15' ' ' PHE . 45.8 tp -125.88 130.18 50.82 Favored 'General case' 0 C--N 1.296 -1.725 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 171.625 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -81.83 156.29 24.95 Favored 'General case' 0 C--N 1.316 -0.875 0 C-N-CA 119.686 -0.805 . . . . 0.0 109.55 -177.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -69.93 -4.42 20.48 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 177.437 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 30.9 mttt -79.58 -59.36 2.78 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 178.516 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -66.77 -39.01 87.68 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-N 113.69 -1.595 . . . . 0.0 110.215 -179.528 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.404 HD21 ' CD2' ' A' ' 28' ' ' LEU . 2.8 tm? -59.18 -43.53 92.17 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.204 -171.703 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 50.2 mttp -62.36 -45.52 92.82 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 119.838 -0.745 . . . . 0.0 109.732 -178.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -72.45 -49.42 33.51 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.075 -177.166 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.49 ' HG ' ' N ' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -63.55 -44.36 94.38 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.817 -0.628 . . . . 0.0 111.484 -179.639 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.49 ' N ' ' HG ' ' A' ' 36' ' ' LEU . 3.0 tm? -61.98 -46.29 89.89 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 119.962 -0.695 . . . . 0.0 110.837 -177.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 27.4 pt20 -65.67 -40.45 92.41 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 119.611 -0.835 . . . . 0.0 110.393 176.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 97.8 m -62.95 -51.01 68.56 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.039 179.093 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.548 ' CD ' ' HG ' ' B' ' 2' ' ' SER . 65.4 mm-40 -72.73 -39.43 66.91 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 120.392 -0.523 . . . . 0.0 112.142 -174.692 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 11.1 mp -105.57 31.91 4.66 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 111.886 0.328 . . . . 0.0 111.886 -176.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 50.6 m -52.57 -40.99 63.18 Favored 'General case' 0 C--N 1.319 -0.76 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.906 -178.271 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -63.17 -46.92 92.1 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.441 -0.664 . . . . 0.0 111.441 179.089 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -70.15 -43.23 71.31 Favored 'General case' 0 CA--C 1.5 -0.968 0 CA-C-O 121.391 0.615 . . . . 0.0 109.918 176.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 49' ' ' LYS . 49.0 tp -61.15 -47.01 88.2 Favored 'General case' 0 N--CA 1.435 -1.186 0 CA-C-N 115.125 -0.943 . . . . 0.0 111.182 -179.491 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -64.11 -39.16 93.45 Favored 'General case' 0 C--N 1.318 -0.765 0 C-N-CA 120.266 -0.574 . . . . 0.0 110.337 178.207 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.86 -35.04 75.58 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.654 -179.134 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.408 HE21 ' C ' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -131.3 41.63 3.3 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.985 -0.286 . . . . 0.0 111.598 179.149 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -65.5 -38.93 91.16 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.854 0.359 . . . . 0.0 110.593 179.772 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -98.02 5.34 48.86 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-N 115.832 -0.622 . . . . 0.0 112.419 -176.056 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.426 ' O ' HG11 ' A' ' 54' ' ' VAL . 16.3 t -83.4 120.59 34.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 176.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.478 ' CG ' ' HZ3' ' A' ' 56' ' ' LYS . 23.6 t70 -48.54 -33.69 10.06 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-O 121.109 0.481 . . . . 0.0 111.18 -176.277 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -49.64 -33.21 14.83 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.627 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.499 ' O ' ' HG2' ' A' ' 58' ' ' MET . 10.0 p -60.88 -46.59 96.08 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 C-N-CA 120.601 -0.44 . . . . 0.0 110.583 -178.476 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -62.27 -40.55 96.59 Favored 'General case' 0 CA--C 1.5 -0.958 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 177.004 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.478 ' HZ3' ' CG ' ' A' ' 52' ' ' ASP . 41.5 mmtm -64.98 -41.23 95.62 Favored 'General case' 0 N--CA 1.439 -1.006 0 CA-C-N 115.226 -0.897 . . . . 0.0 109.826 -178.641 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.459 HG12 HD13 ' A' ' 77' ' ' LEU . 54.3 t -60.69 -44.48 97.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 173.795 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.499 ' HG2' ' O ' ' A' ' 54' ' ' VAL . 59.0 mmm -60.21 -41.69 93.54 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.636 0.731 . . . . 0.0 109.661 176.664 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.4 tptp -63.73 -47.06 82.61 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 114.671 -1.15 . . . . 0.0 111.265 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -57.53 -45.24 85.29 Favored 'General case' 0 C--O 1.244 0.785 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 179.314 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.495 ' HG ' ' CD1' ' A' ' 77' ' ' LEU . 3.3 mm? -66.43 -41.08 89.7 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.799 174.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -60.84 -37.08 80.82 Favored 'General case' 0 CA--C 1.508 -0.671 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.718 -174.041 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.98 -47.77 81.71 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -64.89 -45.95 83.82 Favored 'General case' 0 CA--C 1.505 -0.781 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.792 172.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -75.67 53.6 2.86 Favored Glycine 0 CA--C 1.493 -1.327 0 N-CA-C 110.304 -1.119 . . . . 0.0 110.304 -178.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -60.5 -39.23 86.98 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 108.466 -0.938 . . . . 0.0 108.466 177.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -126.72 -68.95 0.17 Allowed Glycine 0 C--N 1.318 -0.447 0 N-CA-C 110.202 -1.159 . . . . 0.0 110.202 175.077 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -110.03 162.06 14.91 Favored 'General case' 0 C--N 1.313 -0.995 0 C-N-CA 122.824 0.45 . . . . 0.0 110.004 177.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.433 HG13 ' HB3' ' A' ' 28' ' ' LEU . 2.1 p -120.53 130.64 74.25 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.361 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 175.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.613 ' CG ' ' N ' ' A' ' 71' ' ' PHE . 0.1 OUTLIER -92.59 175.11 6.94 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.186 0.517 . . . . 0.0 112.259 -173.55 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.613 ' N ' ' CG ' ' A' ' 70' ' ' ASP . 59.9 t80 -60.27 -45.3 93.8 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.955 -178.175 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.47 ' O ' HG21 ' A' ' 75' ' ' VAL . 26.3 mt-30 -60.52 -38.64 85.03 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 179.05 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -70.21 -44.89 67.71 Favored 'General case' 0 C--N 1.31 -1.136 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.248 176.032 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 45.1 t80 -60.82 -48.15 83.13 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.887 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.478 ' CG2' ' CB ' ' B' ' 79' ' ' ALA . 17.4 m -61.12 -43.48 96.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 C-N-CA 120.253 -0.579 . . . . 0.0 111.558 -178.112 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.517 ' O ' ' N ' ' A' ' 80' ' ' ALA . 12.7 p -66.57 -34.5 70.49 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.746 0 C-N-CA 120.035 -0.666 . . . . 0.0 110.049 178.19 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.495 ' CD1' ' HG ' ' A' ' 61' ' ' LEU . 48.9 tp -61.37 -48.7 80.06 Favored 'General case' 0 CA--C 1.512 -0.498 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.442 178.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 18.6 m -68.59 -42.58 83.53 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.831 0 C-N-CA 119.874 -0.73 . . . . 0.0 110.316 176.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.71 -40.99 97.0 Favored 'General case' 0 CA--C 1.506 -0.727 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.552 177.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.517 ' N ' ' O ' ' A' ' 76' ' ' VAL . . . -57.58 -50.69 72.29 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.584 -178.665 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 93.5 mt -63.19 -40.72 98.32 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.587 174.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.446 HG21 ' ND2' ' A' ' 86' ' ' ASN . 21.1 m -59.42 -50.52 73.63 Favored 'General case' 0 N--CA 1.445 -0.704 0 C-N-CA 120.311 -0.555 . . . . 0.0 110.114 179.337 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.434 ' O ' ' N ' ' A' ' 87' ' ' ASN . 14.0 p -65.44 -43.11 94.65 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 C-N-CA 119.786 -0.766 . . . . 0.0 110.338 176.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.41 -52.53 64.99 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.471 179.049 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' MET . . . . . 0.405 ' O ' ' HB3' ' A' ' 88' ' ' PHE . 0.0 OUTLIER -68.71 -43.64 75.56 Favored 'General case' 0 CA--C 1.516 -0.337 0 C-N-CA 120.485 -0.486 . . . . 0.0 110.511 177.264 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.587 ' O ' ' CD1' ' A' ' 90' ' ' TRP . 80.8 m-20 -61.89 -34.4 75.97 Favored 'General case' 0 CA--C 1.489 -1.375 0 C-N-CA 120.306 -0.558 . . . . 0.0 111.35 -179.179 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.546 ' HA ' ' CD1' ' A' ' 90' ' ' TRP . 0.3 OUTLIER -45.22 -38.3 5.3 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 177.906 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.405 ' HB3' ' O ' ' A' ' 85' ' ' MET . 90.2 t80 -61.67 -45.39 94.22 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.731 173.83 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.577 ' N ' ' O ' ' A' ' 86' ' ' ASN . 10.8 m-85 -61.24 -46.54 89.97 Favored 'General case' 0 C--O 1.219 -0.537 0 N-CA-C 113.656 0.984 . . . . 0.0 113.656 -178.3 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . 0.587 ' CD1' ' O ' ' A' ' 86' ' ' ASN . 2.6 m95 . . . . . 0 N--CA 1.474 0.773 0 C-N-CA 118.638 -1.225 . . . . 0.0 107.96 -176.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 2' ' ' SER . . . . . 0.548 ' HG ' ' CD ' ' A' ' 40' ' ' GLU . 70.6 m . . . . . 0 N--CA 1.447 -0.579 0 CA-C-O 120.924 0.392 . . . . 0.0 111.018 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . 0.436 ' H ' ' CD ' ' B' ' 3' ' ' GLU . 50.0 mp0 -55.15 -17.83 4.8 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 175.648 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.409 ' O ' ' HG2' ' B' ' 8' ' ' MET . 47.2 mt -60.93 -39.91 91.2 Favored 'General case' 0 N--CA 1.438 -1.06 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.195 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -61.33 -41.78 97.6 Favored 'General case' 0 N--CA 1.445 -0.696 0 C-N-CA 119.289 -0.964 . . . . 0.0 108.852 175.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 7.6 m -61.99 -45.92 91.5 Favored 'General case' 0 C--O 1.239 0.504 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 174.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.61 -47.6 83.82 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.87 177.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' MET . . . . . 0.557 ' SD ' HD13 ' A' ' 11' ' ' LEU . 97.0 mmm -64.27 -41.55 96.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.553 176.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . 0.429 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 4.4 mm-40 -60.51 -37.28 80.63 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 174.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 10.6 m -60.45 -44.25 96.04 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 176.384 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.597 HD12 ' SD ' ' A' ' 8' ' ' MET . 81.2 mt -62.34 -42.38 99.34 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.755 174.854 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.576 HG13 ' ND2' ' A' ' 86' ' ' ASN . 11.9 mm -62.98 -44.51 99.7 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.611 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 179.693 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . 0.429 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 44.4 m-80 -60.63 -45.46 93.97 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.43 -177.63 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 38.2 t -64.04 -49.02 83.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.832 176.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.557 ' CE1' ' HB2' ' B' ' 28' ' ' LEU . 65.2 t80 -60.24 -47.48 85.81 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-O 121.611 0.72 . . . . 0.0 109.323 177.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.519 ' N ' ' O ' ' B' ' 12' ' ' ILE . 0.7 OUTLIER -58.68 -43.95 90.11 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 114.744 -1.116 . . . . 0.0 110.561 -178.771 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . 0.458 ' O ' ' HG2' ' B' ' 21' ' ' LYS . . . -54.57 -50.18 68.58 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.703 -179.209 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.491 ' ND1' ' HB3' ' B' ' 32' ' ' GLU . 96.5 m-70 -66.54 -39.09 88.41 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.08 178.572 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 19.9 m -58.39 -41.6 85.2 Favored 'General case' 0 CA--C 1.513 -0.445 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 174.071 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.4 -34.31 87.82 Favored Glycine 0 N--CA 1.446 -0.672 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 177.037 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . 0.458 ' HG2' ' O ' ' B' ' 17' ' ' ALA . 25.5 mmtp -65.26 -49.54 69.2 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 120.142 -0.623 . . . . 0.0 110.456 -178.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' B' ' 24' ' ' ASP . 76.7 mt-10 -156.2 -29.19 0.1 Allowed 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.84 -179.173 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . 0.442 ' HA3' ' O ' ' B' ' 27' ' ' LYS . . . -60.81 70.2 0.01 OUTLIER Glycine 0 CA--C 1.527 0.843 0 CA-C-N 116.338 -0.392 . . . . 0.0 112.727 -171.446 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . 0.607 ' CG ' ' H ' ' B' ' 25' ' ' LYS . 23.3 t70 36.28 -154.7 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.927 0.891 . . . . 0.0 111.785 178.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.607 ' H ' ' CG ' ' B' ' 24' ' ' ASP . 0.0 OUTLIER -64.25 -47.02 81.2 Favored 'General case' 0 CA--C 1.493 -1.214 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 -178.788 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -151.77 93.09 1.81 Allowed 'General case' 0 N--CA 1.43 -1.462 0 CA-C-N 114.979 -1.009 . . . . 0.0 110.526 172.733 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.442 ' O ' ' HA3' ' B' ' 23' ' ' GLY . 22.9 mmmt -158.36 169.61 24.08 Favored 'General case' 0 C--N 1.317 -0.848 0 C-N-CA 124.558 1.143 . . . . 0.0 108.169 174.261 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.557 ' HB2' ' CE1' ' B' ' 15' ' ' PHE . 45.9 tp -124.97 123.44 39.89 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 110.466 -0.198 . . . . 0.0 110.466 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 12.8 p -79.61 160.17 26.49 Favored 'General case' 0 C--O 1.241 0.651 0 CA-C-O 120.718 0.294 . . . . 0.0 111.43 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.455 ' HE3' ' O ' ' B' ' 61' ' ' LEU . 0.2 OUTLIER -74.13 -8.61 56.77 Favored 'General case' 0 CA--C 1.511 -0.553 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 176.717 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -65.5 -42.63 91.93 Favored 'General case' 0 CA--C 1.496 -1.099 0 N-CA-C 106.85 -1.537 . . . . 0.0 106.85 177.104 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.491 ' HB3' ' ND1' ' B' ' 18' ' ' HIS . 61.1 mm-40 -100.39 -41.91 6.83 Favored 'General case' 0 N--CA 1.423 -1.814 0 CA-C-N 112.226 -2.261 . . . . 0.0 110.146 -171.235 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.401 HD23 ' CD2' ' B' ' 28' ' ' LEU . 2.6 tm? -57.66 -45.78 85.1 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.176 -172.334 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -63.76 -43.88 95.12 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 120.15 -0.62 . . . . 0.0 110.448 178.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -69.21 -49.35 57.26 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.489 -179.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.47 ' HB3' ' O ' ' B' ' 32' ' ' GLU . 0.1 OUTLIER -62.56 -46.49 88.12 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.823 -0.626 . . . . 0.0 112.447 -179.394 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.441 ' N ' ' HG ' ' B' ' 36' ' ' LEU . 3.0 tm? -61.92 -47.55 84.44 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 119.766 -0.773 . . . . 0.0 111.291 -174.42 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -65.91 -41.34 91.57 Favored 'General case' 0 C--N 1.318 -0.784 0 C-N-CA 120.189 -0.605 . . . . 0.0 110.236 177.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 96.6 m -63.32 -50.92 68.12 Favored 'General case' 0 N--CA 1.441 -0.896 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.576 -179.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -73.11 -41.05 64.45 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -177.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 9.8 mp -105.39 33.98 3.45 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.32 -176.117 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 18.3 m -51.94 -40.89 61.53 Favored 'General case' 0 C--N 1.314 -0.951 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.719 -177.442 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -66.66 -48.32 62.88 Favored Glycine 0 C--N 1.32 -0.313 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 178.219 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . 0.6 ' CD1' ' SD ' ' B' ' 85' ' ' MET . 41.8 m-85 -65.57 -41.48 92.87 Favored 'General case' 0 CA--C 1.508 -0.667 0 CA-C-O 121.02 0.438 . . . . 0.0 110.525 177.449 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.49 ' O ' ' HB2' ' B' ' 49' ' ' LYS . 8.0 tp -60.37 -50.67 72.68 Favored 'General case' 0 C--N 1.309 -1.165 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.719 176.185 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -66.79 -42.32 86.19 Favored 'General case' 0 C--N 1.313 -1.018 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 176.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . 0.508 ' CB ' ' SD ' ' B' ' 85' ' ' MET . . . -56.39 -47.97 77.85 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.51 -176.371 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -116.5 28.47 8.55 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 179.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.49 ' HB2' ' O ' ' B' ' 45' ' ' LEU . 58.2 tttm -60.06 -45.87 91.45 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.291 0.567 . . . . 0.0 109.725 179.42 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -68.02 -18.19 64.63 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.652 -178.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . 0.476 ' C ' ' H ' ' B' ' 53' ' ' ALA . 47.8 t -65.74 -0.6 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.927 0 CA-C-N 116.284 -0.417 . . . . 0.0 112.108 -174.276 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.9 t70 63.24 -46.01 0.22 Allowed 'General case' 0 N--CA 1.475 0.788 0 CA-C-O 120.764 0.316 . . . . 0.0 111.202 179.12 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . 0.476 ' H ' ' C ' ' B' ' 51' ' ' VAL . . . -51.64 -26.1 8.34 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.977 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . 0.441 ' HA ' ' CD2' ' B' ' 81' ' ' LEU . 8.8 p -58.04 -44.63 87.5 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.711 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 177.536 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.46 ' O ' ' N ' ' B' ' 59' ' ' LYS . 35.0 t70 -62.91 -44.81 95.09 Favored 'General case' 0 CA--C 1.496 -1.113 0 CA-C-O 121.483 0.658 . . . . 0.0 109.593 173.532 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 12.9 mmtp -63.2 -44.24 95.93 Favored 'General case' 0 C--N 1.308 -1.225 0 CA-C-N 114.857 -1.065 . . . . 0.0 109.973 -172.162 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 85.2 t -64.73 -46.44 92.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-O 121.378 0.609 . . . . 0.0 109.362 176.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 58' ' ' MET . . . . . 0.491 ' HG3' ' N ' ' B' ' 59' ' ' LYS . 0.0 OUTLIER -63.11 -34.64 78.04 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.397 178.902 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . 0.491 ' N ' ' HG3' ' B' ' 58' ' ' MET . 0.2 OUTLIER -58.78 -43.64 90.49 Favored 'General case' 0 CA--C 1.5 -0.977 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.931 -176.038 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -60.26 -44.46 95.27 Favored 'General case' 0 C--N 1.31 -1.114 0 C-N-CA 120.182 -0.607 . . . . 0.0 109.518 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.455 ' O ' ' HE3' ' B' ' 30' ' ' LYS . 3.4 mm? -62.95 -42.81 99.93 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.158 174.568 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.446 ' O ' ' NZ ' ' B' ' 30' ' ' LYS . 13.8 t70 -59.92 -47.19 86.79 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 115.657 -0.702 . . . . 0.0 109.709 -179.401 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -66.6 -51.34 57.46 Favored 'General case' 0 CA--C 1.512 -0.487 0 CA-C-O 121.136 0.493 . . . . 0.0 110.618 178.09 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.453 ' O ' ' N ' ' B' ' 66' ' ' ASP . 35.9 m-80 -63.66 -41.87 98.16 Favored 'General case' 0 CA--C 1.5 -0.948 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.265 -176.306 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . 0.454 ' HA3' ' CE ' ' B' ' 30' ' ' LYS . . . -68.37 54.61 0.45 Allowed Glycine 0 N--CA 1.444 -0.786 0 N-CA-C 110.701 -0.96 . . . . 0.0 110.701 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' B' ' 64' ' ' ASN . 34.4 t70 -60.93 -37.47 82.41 Favored 'General case' 0 CA--C 1.505 -0.77 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 177.38 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -116.16 -68.12 0.41 Allowed Glycine 0 C--N 1.312 -0.76 0 N-CA-C 109.053 -1.619 . . . . 0.0 109.053 172.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.42 ' CB ' ' HB3' ' B' ' 27' ' ' LYS . 13.1 mp0 -138.27 165.72 25.99 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.085 0.469 . . . . 0.0 110.882 176.079 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.452 ' O ' ' N ' ' B' ' 28' ' ' LEU . 1.3 m -111.57 139.14 37.22 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.082 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 173.215 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.429 ' HB3' ' NZ ' ' B' ' 27' ' ' LYS . 0.0 OUTLIER -91.81 177.23 6.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 121.946 -0.471 . . . . 0.0 110.965 -173.213 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -60.76 -45.05 95.83 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 -178.414 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -60.88 -38.75 86.73 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.424 175.346 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.426 ' OE1' ' N ' ' B' ' 70' ' ' ASP . 48.0 mt-10 -66.6 -45.06 80.43 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 175.032 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -62.63 -48.51 79.06 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 115.644 -0.707 . . . . 0.0 112.852 -179.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 18.0 m -63.02 -42.31 96.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 C-N-CA 120.208 -0.597 . . . . 0.0 112.489 -175.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 11.0 p -63.77 -37.48 79.81 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 C-N-CA 120.124 -0.631 . . . . 0.0 110.228 178.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . 0.409 ' HB2' ' HG ' ' B' ' 61' ' ' LEU . 47.2 tp -60.73 -49.21 78.42 Favored 'General case' 0 CA--C 1.511 -0.543 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.887 179.57 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 17.2 m -67.58 -43.2 87.17 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 C-N-CA 119.485 -0.886 . . . . 0.0 110.504 177.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . 0.478 ' CB ' ' CG2' ' A' ' 75' ' ' VAL . . . -63.61 -43.85 95.66 Favored 'General case' 0 CA--C 1.509 -0.612 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.902 -179.606 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . 0.426 ' O ' HG11 ' B' ' 83' ' ' VAL . . . -61.98 -42.49 99.19 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 120.267 -0.573 . . . . 0.0 109.71 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.441 ' CD2' ' HA ' ' B' ' 54' ' ' VAL . 96.0 mt -63.73 -40.96 98.02 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 174.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.456 ' HA ' ' CD1' ' B' ' 44' ' ' PHE . 21.1 m -61.32 -49.14 78.2 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.605 176.501 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . 0.426 HG11 ' O ' ' B' ' 80' ' ' ALA . 0.3 OUTLIER -63.29 -40.52 89.37 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 179.768 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.73 -51.73 66.33 Favored 'General case' 0 CA--C 1.519 -0.249 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 177.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 85' ' ' MET . . . . . 0.6 ' SD ' ' CD1' ' B' ' 44' ' ' PHE . 26.9 ttt -66.31 -42.28 88.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.256 0.551 . . . . 0.0 110.322 175.725 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . 0.525 ' O ' ' N ' ' B' ' 89' ' ' PHE . 17.1 t30 -59.41 -26.33 65.06 Favored 'General case' 0 CA--C 1.501 -0.938 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.847 -174.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 35.8 t-20 -47.71 -38.59 15.55 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 177.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -59.45 -46.36 88.99 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.872 172.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . 0.525 ' N ' ' O ' ' B' ' 86' ' ' ASN . 10.2 m-85 . . . . . 0 C--N 1.319 -0.723 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 -172.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 m . . . . . 0 C--O 1.239 0.518 0 CA-C-O 120.553 0.216 . . . . 0.0 110.724 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 7' ' ' ALA . 55.9 mp0 -60.65 -41.14 94.38 Favored 'General case' 0 CA--C 1.496 -1.097 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 175.777 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.485 ' N ' ' CD2' ' A' ' 4' ' ' LEU . 2.7 mm? -61.75 -42.86 99.53 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-N 114.951 -1.022 . . . . 0.0 108.556 -179.087 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -65.52 -44.31 87.33 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-N 115.072 -0.967 . . . . 0.0 109.242 175.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.481 ' O ' ' N ' ' A' ' 10' ' ' THR . 10.8 m -60.98 -45.83 93.21 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.471 177.158 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 3' ' ' GLU . . . -56.74 -48.86 76.85 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.504 179.08 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.51 ' SD ' HD12 ' B' ' 11' ' ' LEU . 93.2 mmm -64.51 -41.45 96.41 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 -179.62 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 55.8 mm-40 -62.93 -36.67 84.17 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.802 174.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.481 ' N ' ' O ' ' A' ' 6' ' ' THR . 7.4 m -59.97 -45.02 94.04 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 176.728 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.426 HD13 ' SD ' ' B' ' 8' ' ' MET . 85.2 mt -62.69 -39.81 95.13 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.149 177.228 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.415 ' O ' ' N ' ' A' ' 16' ' ' HIS . 19.5 mm -61.44 -43.84 97.47 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.777 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 -178.798 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 30.3 m-80 -59.83 -44.23 94.17 Favored 'General case' 0 C--N 1.313 -0.993 0 C-N-CA 120.206 -0.598 . . . . 0.0 110.365 -176.161 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 99.2 t -64.38 -48.65 84.37 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 C-N-CA 120.289 -0.564 . . . . 0.0 110.325 175.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -59.79 -48.26 82.39 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.663 0.744 . . . . 0.0 109.611 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.612 ' ND1' ' O ' ' A' ' 25' ' ' LYS . 5.2 t60 -61.55 -45.53 93.78 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 114.534 -1.212 . . . . 0.0 110.145 178.266 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.93 -49.51 76.52 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.511 178.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 66.4 m-70 -65.54 -37.8 87.78 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.071 177.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.451 ' CB ' ' H ' ' A' ' 27' ' ' LYS . 25.3 m -54.09 -44.02 70.86 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 178.457 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.46 -34.98 91.05 Favored Glycine 0 N--CA 1.444 -0.799 0 N-CA-C 110.671 -0.972 . . . . 0.0 110.671 177.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -63.09 -47.03 84.62 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 179.316 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.483 ' CD ' ' H ' ' A' ' 29' ' ' SER . 99.3 mt-10 -70.66 -40.75 72.81 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.481 -0.488 . . . . 0.0 110.551 177.341 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 146.33 -27.45 1.68 Allowed Glycine 0 CA--C 1.529 0.95 0 C-N-CA 121.145 -0.55 . . . . 0.0 112.69 176.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -75.75 152.41 37.41 Favored 'General case' 0 C--N 1.32 -0.716 0 O-C-N 122.196 -0.591 . . . . 0.0 110.879 -177.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.612 ' O ' ' ND1' ' A' ' 16' ' ' HIS . 0.0 OUTLIER -66.05 -45.14 82.45 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 171.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 14.1 p90 -150.01 92.5 1.9 Allowed 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.463 172.146 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.451 ' H ' ' CB ' ' A' ' 19' ' ' SER . 3.4 mmmm -161.52 154.06 20.23 Favored 'General case' 0 CA--C 1.498 -1.026 0 N-CA-C 106.332 -1.729 . . . . 0.0 106.332 167.662 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.453 ' HB3' HG11 ' A' ' 69' ' ' VAL . 31.6 tp -131.27 141.21 49.95 Favored 'General case' 0 C--N 1.3 -1.583 0 C-N-CA 120.013 -0.675 . . . . 0.0 110.031 179.48 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.483 ' H ' ' CD ' ' A' ' 22' ' ' GLU . 3.1 m -104.26 158.44 16.45 Favored 'General case' 0 C--N 1.308 -1.214 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 176.359 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.51 ' CE ' ' HB ' ' A' ' 69' ' ' VAL . 2.4 mmtm -67.73 -7.09 24.41 Favored 'General case' 0 C--N 1.314 -0.969 0 C-N-CA 119.598 -0.841 . . . . 0.0 112.343 -172.313 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.453 ' HD2' ' HG2' ' A' ' 22' ' ' GLU . 1.6 ptpm? -66.58 -51.99 50.42 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.768 0.318 . . . . 0.0 110.557 176.418 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' A' ' 36' ' ' LEU . 71.5 mm-40 -70.44 -35.86 73.61 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.435 176.464 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.417 ' HB2' HG13 ' A' ' 69' ' ' VAL . 3.4 tm? -58.2 -44.17 87.95 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.23 -170.232 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -62.71 -45.51 92.43 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 119.656 -0.818 . . . . 0.0 110.152 178.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -67.28 -42.9 83.04 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.664 0.745 . . . . 0.0 109.622 178.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 32' ' ' GLU . 31.1 tp -61.0 -48.48 81.61 Favored 'General case' 0 C--N 1.305 -1.342 0 CA-C-N 114.631 -1.168 . . . . 0.0 112.005 -179.663 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.428 ' CD2' ' C ' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -62.43 -49.81 73.98 Favored 'General case' 0 C--N 1.318 -0.765 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.824 -176.174 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -64.4 -41.89 96.39 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.199 0.523 . . . . 0.0 110.724 179.231 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 79.5 m -62.67 -52.06 64.8 Favored 'General case' 0 N--CA 1.439 -1.001 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.703 -177.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -76.46 -39.1 54.26 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 120.04 -0.664 . . . . 0.0 112.718 -176.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.8 mp -99.95 40.49 1.23 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.435 0.16 . . . . 0.0 110.958 -179.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 51.3 m -59.42 -40.93 88.3 Favored 'General case' 0 C--N 1.315 -0.919 0 C-N-CA 119.196 -1.001 . . . . 0.0 111.015 -178.04 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.06 -43.6 95.5 Favored Glycine 0 CA--C 1.527 0.825 0 N-CA-C 111.312 -0.715 . . . . 0.0 111.312 177.435 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -68.87 -43.24 75.77 Favored 'General case' 0 CA--C 1.509 -0.627 0 CA-C-O 121.059 0.457 . . . . 0.0 110.407 176.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 46.7 tp -60.95 -42.99 99.32 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.207 175.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.502 ' CG ' ' HZ2' ' A' ' 49' ' ' LYS . 30.3 t70 -61.55 -38.04 86.0 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.924 176.651 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.646 ' HB1' ' SD ' ' A' ' 85' ' ' MET . . . -70.22 -43.31 70.92 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.685 179.235 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.31 58.23 0.72 Allowed 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 120.658 0.266 . . . . 0.0 111.281 -179.248 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.502 ' HZ2' ' CG ' ' A' ' 46' ' ' ASP . 50.4 mttp -65.23 -44.27 88.8 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 121.046 0.451 . . . . 0.0 109.907 178.804 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -113.88 2.36 15.06 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.196 -0.911 . . . . 0.0 113.277 -172.376 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 62.9 t -59.8 137.37 22.31 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.895 0 C-N-CA 120.323 -0.551 . . . . 0.0 110.102 -178.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -55.62 -44.45 77.08 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.215 0.531 . . . . 0.0 110.108 -177.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.83 -39.51 81.45 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.539 -0.755 . . . . 0.0 112.243 -176.167 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.6 p -59.07 -45.11 92.65 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 C-N-CA 119.018 -1.073 . . . . 0.0 111.511 -175.214 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.487 ' O ' ' N ' ' A' ' 59' ' ' LYS . 28.6 t70 -61.52 -42.83 99.4 Favored 'General case' 0 CA--C 1.496 -1.118 0 C-N-CA 119.781 -0.768 . . . . 0.0 109.727 177.737 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.1 mmtp -63.03 -43.42 98.76 Favored 'General case' 0 C--N 1.318 -0.79 0 C-N-CA 120.347 -0.541 . . . . 0.0 109.86 -178.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.463 HG11 ' CD1' ' A' ' 77' ' ' LEU . 80.1 t -64.48 -43.98 96.94 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.917 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 178.798 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 19.7 mmm -61.09 -40.6 94.34 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 176.224 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.516 ' O ' ' HG2' ' A' ' 63' ' ' GLU . 22.7 tptp -65.96 -46.49 77.92 Favored 'General case' 0 N--CA 1.434 -1.266 0 CA-C-N 114.861 -1.063 . . . . 0.0 110.224 -176.374 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -58.98 -40.71 85.63 Favored 'General case' 0 CA--C 1.516 -0.351 0 C-N-CA 119.924 -0.71 . . . . 0.0 111.013 179.112 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -62.13 -41.4 98.22 Favored 'General case' 0 C--N 1.313 -0.993 0 C-N-CA 119.854 -0.738 . . . . 0.0 109.29 174.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -65.26 -41.55 94.17 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.346 176.058 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.516 ' HG2' ' O ' ' A' ' 59' ' ' LYS . 64.3 mm-40 -61.04 -41.26 96.24 Favored 'General case' 0 CA--C 1.513 -0.442 0 N-CA-C 107.385 -1.339 . . . . 0.0 107.385 176.323 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.46 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . 12.0 t-20 -86.62 30.94 0.69 Allowed 'General case' 0 N--CA 1.443 -0.79 0 CA-C-N 114.946 -1.025 . . . . 0.0 110.366 174.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -94.03 20.39 47.8 Favored Glycine 0 N--CA 1.461 0.308 0 N-CA-C 109.024 -1.63 . . . . 0.0 109.024 176.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -60.46 -44.65 95.67 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.062 -0.569 . . . . 0.0 110.465 -175.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -125.52 -76.99 0.27 Allowed Glycine 0 C--O 1.241 0.534 0 N-CA-C 111.521 -0.632 . . . . 0.0 111.521 -178.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.443 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 2.1 mp0 -139.15 -163.45 1.48 Allowed 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 -179.031 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.51 ' HB ' ' CE ' ' A' ' 30' ' ' LYS . 1.8 p -133.7 129.8 55.58 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.232 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 170.111 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.0 -176.74 3.33 Favored 'General case' 0 C--N 1.31 -1.115 0 C-N-CA 119.988 -0.685 . . . . 0.0 111.003 -178.509 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -60.54 -43.35 97.27 Favored 'General case' 0 C--N 1.302 -1.457 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.714 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -60.86 -43.55 98.23 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.026 179.268 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.467 ' O ' HG11 ' A' ' 76' ' ' VAL . 82.4 mt-10 -65.38 -40.72 93.86 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 119.87 -0.732 . . . . 0.0 109.727 174.691 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -60.76 -48.63 80.91 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.008 -178.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.525 HG23 ' N ' ' A' ' 76' ' ' VAL . 5.4 m -65.32 -42.89 94.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 C-N-CA 119.5 -0.88 . . . . 0.0 111.625 178.375 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.525 ' N ' HG23 ' A' ' 75' ' ' VAL . 0.8 OUTLIER -64.07 -39.49 85.65 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 C-N-CA 120.335 -0.546 . . . . 0.0 110.096 -177.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.463 ' CD1' HG11 ' A' ' 57' ' ' VAL . 49.8 tp -61.2 -49.55 76.72 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.953 178.686 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 17.1 m -70.89 -42.91 77.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 C-N-CA 119.835 -0.746 . . . . 0.0 110.878 177.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.08 -46.12 91.96 Favored 'General case' 0 CA--C 1.503 -0.85 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.086 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -54.75 -48.7 72.27 Favored 'General case' 0 CA--C 1.511 -0.545 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.7 mt -63.25 -41.31 99.05 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.896 175.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.41 ' O ' ' N ' ' A' ' 86' ' ' ASN . 16.3 m -61.72 -50.48 72.27 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.56 -0.456 . . . . 0.0 110.495 -179.441 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 10.7 p -63.7 -43.64 98.13 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 C-N-CA 120.174 -0.61 . . . . 0.0 110.263 177.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.88 -49.09 79.07 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.283 176.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' MET . . . . . 0.646 ' SD ' ' HB1' ' A' ' 47' ' ' ALA . 9.5 tpt -67.89 -46.15 72.44 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.535 -0.466 . . . . 0.0 111.125 178.648 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.429 ' HA ' ' CD2' ' A' ' 89' ' ' PHE . 4.2 m120 -61.36 -27.72 68.71 Favored 'General case' 0 CA--C 1.503 -0.86 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.376 -179.514 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.403 ' OD1' ' CE2' ' B' ' 26' ' ' TYR . 37.8 t30 -57.94 -40.06 79.56 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 177.206 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -63.19 -39.49 94.8 Favored 'General case' 0 C--O 1.22 -0.454 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.663 174.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.429 ' CD2' ' HA ' ' A' ' 86' ' ' ASN . 14.0 m-30 -55.49 -51.18 67.84 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.871 -175.721 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 44.5 m95 . . . . . 0 C--N 1.31 -1.141 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.337 -176.97 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 2' ' ' SER . . . . . 0.432 ' O ' ' N ' ' B' ' 5' ' ' GLU . 4.0 m . . . . . 0 N--CA 1.445 -0.718 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . 0.438 ' OE1' ' N ' ' B' ' 3' ' ' GLU . 3.2 mp0 -53.15 -28.0 23.95 Favored 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 179.515 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.47 ' O ' ' HG2' ' B' ' 8' ' ' MET . 41.2 mt -62.25 -41.68 98.65 Favored 'General case' 0 N--CA 1.439 -0.976 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.387 176.441 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' B' ' 2' ' ' SER . 47.3 mt-10 -62.76 -42.99 99.94 Favored 'General case' 0 N--CA 1.443 -0.808 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 177.82 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' THR . . . . . 0.438 ' O ' ' N ' ' B' ' 10' ' ' THR . 7.0 m -61.92 -45.08 95.27 Favored 'General case' 0 C--O 1.242 0.685 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 172.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . 0.406 ' HB2' ' CB ' ' A' ' 7' ' ' ALA . . . -58.0 -45.76 86.31 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.923 179.454 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' MET . . . . . 0.47 ' HG2' ' O ' ' B' ' 4' ' ' LEU . 94.8 mmm -64.13 -40.98 97.34 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.943 -0.392 . . . . 0.0 109.943 178.348 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.82 -37.87 89.07 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 119.745 -0.782 . . . . 0.0 109.624 174.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' THR . . . . . 0.438 ' N ' ' O ' ' B' ' 6' ' ' THR . 10.1 m -59.39 -43.38 92.94 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 175.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.51 HD12 ' SD ' ' A' ' 8' ' ' MET . 84.2 mt -62.11 -41.74 98.53 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.92 174.766 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 23.4 mm -62.15 -43.79 98.27 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.633 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 179.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 40.0 m-80 -60.16 -44.05 95.32 Favored 'General case' 0 CA--C 1.505 -0.758 0 C-N-CA 120.435 -0.506 . . . . 0.0 111.387 -173.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 93.1 t -63.76 -48.84 84.65 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.914 0 C-N-CA 119.975 -0.69 . . . . 0.0 109.688 175.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.463 ' CZ ' ' HA ' ' B' ' 27' ' ' LYS . 70.1 t80 -59.89 -49.55 77.27 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.236 179.465 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.481 ' ND1' ' O ' ' B' ' 25' ' ' LYS . 23.5 t60 -67.08 -42.76 84.11 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.97 178.284 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . 0.465 ' O ' ' HG2' ' B' ' 21' ' ' LYS . . . -60.17 -49.43 77.67 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 176.612 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 78.8 m-70 -64.88 -35.15 80.2 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.862 176.306 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.406 ' CB ' ' H ' ' B' ' 27' ' ' LYS . 21.9 m -56.51 -44.48 80.76 Favored 'General case' 0 C--O 1.243 0.721 0 N-CA-C 107.508 -1.293 . . . . 0.0 107.508 172.713 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.78 -41.26 99.88 Favored Glycine 0 C--O 1.242 0.594 0 CA-C-N 114.802 -1.09 . . . . 0.0 110.777 176.023 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . 0.465 ' HG2' ' O ' ' B' ' 17' ' ' ALA . 74.5 mmtt -61.99 -47.2 85.85 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.622 -0.511 . . . . 0.0 109.622 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.525 ' OE1' ' N ' ' B' ' 29' ' ' SER . 98.8 mt-10 -72.87 -48.95 33.1 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.857 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 158.01 -45.55 0.47 Allowed Glycine 0 CA--C 1.532 1.108 0 C-N-CA 120.346 -0.931 . . . . 0.0 113.157 -178.067 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -66.42 147.28 53.53 Favored 'General case' 0 N--CA 1.478 0.966 0 CA-C-N 117.671 0.736 . . . . 0.0 111.153 -176.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.544 ' NZ ' ' CZ ' ' B' ' 26' ' ' TYR . 16.2 pttp -63.48 -37.39 87.11 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 120.518 -0.473 . . . . 0.0 110.072 176.282 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.544 ' CZ ' ' NZ ' ' B' ' 25' ' ' LYS . 2.8 p90 -158.23 92.04 1.14 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.064 169.57 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.49 ' HG2' ' O ' ' B' ' 26' ' ' TYR . 6.5 mmmm -163.7 157.4 19.13 Favored 'General case' 0 CA--C 1.495 -1.173 0 N-CA-C 106.159 -1.793 . . . . 0.0 106.159 168.134 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.532 ' O ' ' N ' ' B' ' 69' ' ' VAL . 38.5 tp -123.55 135.58 54.08 Favored 'General case' 0 C--N 1.292 -1.926 0 C-N-CA 119.987 -0.685 . . . . 0.0 109.847 -179.463 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' SER . . . . . 0.525 ' N ' ' OE1' ' B' ' 22' ' ' GLU . 2.1 m -102.54 177.47 4.85 Favored 'General case' 0 C--N 1.294 -1.838 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 178.756 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.03 -3.56 36.44 Favored 'General case' 0 C--N 1.304 -1.37 0 C-N-CA 120.047 -0.661 . . . . 0.0 109.312 177.296 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 61.8 mttm -61.29 -45.35 94.84 Favored 'General case' 0 CA--C 1.51 -0.593 0 N-CA-C 108.183 -1.044 . . . . 0.0 108.183 -178.158 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.406 ' HG3' ' HG3' ' B' ' 22' ' ' GLU . 63.3 mm-40 -111.32 -28.94 8.01 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-N 114.236 -1.347 . . . . 0.0 111.559 -173.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -57.91 -50.75 72.28 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.517 -0.473 . . . . 0.0 111.63 -170.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 17.2 pttp -68.16 -39.67 82.52 Favored 'General case' 0 C--N 1.315 -0.928 0 C-N-CA 119.869 -0.733 . . . . 0.0 110.655 178.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -67.87 -43.88 78.36 Favored 'General case' 0 C--O 1.24 0.579 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.67 -179.405 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.91 -38.32 37.74 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.053 -0.522 . . . . 0.0 112.202 -178.221 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.406 ' CD1' ' C ' ' B' ' 37' ' ' LEU . 2.3 tm? -59.62 -46.27 89.47 Favored 'General case' 0 CA--C 1.512 -0.484 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.005 -176.162 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.422 ' HG3' ' N ' ' B' ' 39' ' ' THR . 15.1 pt20 -63.07 -41.84 99.54 Favored 'General case' 0 C--N 1.316 -0.869 0 C-N-CA 119.921 -0.712 . . . . 0.0 109.468 175.443 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.422 ' N ' ' HG3' ' B' ' 38' ' ' GLN . 93.1 m -65.44 -53.16 46.79 Favored 'General case' 0 N--CA 1.437 -1.083 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.85 -176.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -69.78 -41.61 74.9 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -177.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 11.1 mp -95.45 37.57 1.18 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.13 0.491 . . . . 0.0 110.133 179.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -55.91 -34.56 65.69 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.652 -0.703 . . . . 0.0 111.569 -177.537 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.31 -51.8 35.47 Favored Glycine 0 C--O 1.242 0.648 0 N-CA-C 110.75 -0.94 . . . . 0.0 110.75 176.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . 0.468 ' O ' ' CG ' ' B' ' 48' ' ' GLN . 44.2 m-85 -65.79 -41.58 91.8 Favored 'General case' 0 CA--C 1.494 -1.21 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 177.226 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.411 ' O ' ' HG3' ' B' ' 49' ' ' LYS . 1.4 tp -54.32 -46.54 72.87 Favored 'General case' 0 CA--C 1.499 -0.987 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.303 -177.269 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.59 ' O ' ' NZ ' ' B' ' 49' ' ' LYS . 13.0 t70 -60.79 -45.22 95.23 Favored 'General case' 0 C--N 1.3 -1.575 0 C-N-CA 119.852 -0.739 . . . . 0.0 111.022 176.167 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.37 -39.74 92.66 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 -179.466 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.468 ' CG ' ' O ' ' B' ' 44' ' ' PHE . 0.0 OUTLIER -78.85 -5.95 54.81 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 -174.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.59 ' NZ ' ' O ' ' B' ' 46' ' ' ASP . 5.6 mtmp? -58.49 -41.62 85.73 Favored 'General case' 0 CA--C 1.516 -0.346 0 C-N-CA 119.538 -0.865 . . . . 0.0 109.953 -177.238 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -95.18 16.37 16.7 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.764 -177.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . 0.61 ' C ' ' H ' ' B' ' 53' ' ' ALA . 22.7 t -109.38 -15.56 9.48 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 N-CA-C 111.853 0.316 . . . . 0.0 111.853 -177.531 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 30.0 t70 59.05 -23.3 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 -178.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . 0.61 ' H ' ' C ' ' B' ' 51' ' ' VAL . . . -51.87 -35.64 45.71 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-O 120.809 0.337 . . . . 0.0 110.57 -178.638 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 7.1 p -60.3 -40.09 82.8 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.406 178.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' B' ' 59' ' ' LYS . 33.2 t70 -57.41 -48.32 79.41 Favored 'General case' 0 CA--C 1.513 -0.467 0 C-N-CA 120.093 -0.643 . . . . 0.0 110.45 179.594 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.49 -43.55 96.92 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.998 179.689 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 95.4 t -63.83 -46.45 94.31 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.654 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 178.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 62.7 ttp -60.31 -43.3 96.47 Favored 'General case' 0 N--CA 1.429 -1.479 0 CA-C-N 114.819 -1.082 . . . . 0.0 109.853 175.209 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' B' ' 55' ' ' ASP . 14.0 tptp -62.71 -45.58 92.09 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.006 -178.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -69.54 -43.89 72.05 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.554 178.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -64.88 -38.58 91.45 Favored 'General case' 0 C--O 1.24 0.596 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.503 178.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -57.06 -29.72 63.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.21 -177.158 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -54.58 -58.36 7.79 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 177.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.533 ' C ' ' H ' ' B' ' 66' ' ' ASP . 80.3 m-20 -64.42 -40.95 96.76 Favored 'General case' 0 CA--C 1.504 -0.789 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.237 175.01 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -69.23 39.04 0.33 Allowed Glycine 0 C--N 1.32 -0.318 0 N-CA-C 111.32 -0.712 . . . . 0.0 111.32 -178.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.533 ' H ' ' C ' ' B' ' 64' ' ' ASN . 35.3 t70 -61.74 -42.35 98.85 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 177.833 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -134.17 -72.61 0.08 OUTLIER Glycine 0 C--N 1.317 -0.479 0 N-CA-C 109.475 -1.45 . . . . 0.0 109.475 176.216 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -91.44 152.63 20.3 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.81 0.338 . . . . 0.0 110.827 176.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.532 ' N ' ' O ' ' B' ' 28' ' ' LEU . 1.7 p -127.22 125.86 66.87 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 N-CA-C 107.221 -1.399 . . . . 0.0 107.221 168.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.5 ' CG ' ' N ' ' B' ' 71' ' ' PHE . 14.4 t70 -91.21 172.63 8.42 Favored 'General case' 0 C--N 1.308 -1.201 0 C-N-CA 120.117 -0.633 . . . . 0.0 111.428 -171.815 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.5 ' N ' ' CG ' ' B' ' 70' ' ' ASP . 52.7 t80 -59.39 -43.41 92.94 Favored 'General case' 0 C--N 1.314 -0.955 0 N-CA-C 108.45 -0.945 . . . . 0.0 108.45 -179.72 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -59.1 -38.34 79.29 Favored 'General case' 0 N--CA 1.437 -1.076 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.144 175.346 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 62.4 mm-40 -69.66 -42.71 73.83 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.62 0.724 . . . . 0.0 110.04 173.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 33.9 t80 -61.38 -47.18 87.0 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.188 -0.914 . . . . 0.0 111.803 -177.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 18.0 m -64.68 -41.36 92.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 C-N-CA 120.25 -0.58 . . . . 0.0 111.741 -178.324 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 23.6 m -65.79 -37.43 79.9 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.111 0 C-N-CA 120.245 -0.582 . . . . 0.0 111.073 178.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 48.3 tp -60.83 -48.81 80.09 Favored 'General case' 0 CA--C 1.511 -0.521 0 C-N-CA 120.15 -0.62 . . . . 0.0 110.08 178.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 13.9 m -70.25 -42.25 78.87 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.7 0 C-N-CA 120.023 -0.671 . . . . 0.0 111.295 176.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . 0.431 ' CB ' HG22 ' A' ' 75' ' ' VAL . . . -64.32 -42.62 96.21 Favored 'General case' 0 CA--C 1.503 -0.861 0 C-N-CA 120.606 -0.438 . . . . 0.0 111.195 179.576 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . 0.412 ' O ' HG11 ' B' ' 83' ' ' VAL . . . -59.43 -44.61 92.86 Favored 'General case' 0 N--CA 1.444 -0.759 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 179.549 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 99.6 mt -62.88 -43.18 99.49 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.426 175.122 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.439 ' O ' ' N ' ' B' ' 86' ' ' ASN . 17.6 m -63.03 -49.68 73.66 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.728 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . 0.412 HG11 ' O ' ' B' ' 80' ' ' ALA . 1.6 p -64.01 -44.31 97.81 Favored 'Isoleucine or valine' 0 C--O 1.238 0.475 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.772 -179.472 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -58.82 -52.41 65.83 Favored 'General case' 0 C--O 1.238 0.473 0 C-N-CA 120.709 -0.397 . . . . 0.0 110.262 178.074 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 85' ' ' MET . . . . . 0.443 ' SD ' HG21 ' B' ' 51' ' ' VAL . 94.5 mmm -65.31 -41.7 93.77 Favored 'General case' 0 CA--C 1.515 -0.382 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.788 178.033 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' B' ' 82' ' ' THR . 10.8 m-80 -62.18 -41.05 97.96 Favored 'General case' 0 CA--C 1.495 -1.142 0 C-N-CA 120.452 -0.499 . . . . 0.0 111.85 178.132 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . 0.418 ' C ' ' ND2' ' B' ' 87' ' ' ASN . 0.5 OUTLIER -56.67 -43.61 80.58 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 119.31 -0.956 . . . . 0.0 109.085 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -67.75 -41.69 82.98 Favored 'General case' 0 C--O 1.219 -0.507 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.906 173.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . 0.407 ' HB2' ' HA ' ' B' ' 86' ' ' ASN . 3.9 t80 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.683 -170.151 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.248 0.995 0 CA-C-O 120.838 0.352 . . . . 0.0 110.741 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 54.5 mp0 -58.09 -38.27 76.1 Favored 'General case' 0 C--N 1.313 -1.017 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 176.021 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.515 ' O ' ' HG2' ' A' ' 8' ' ' MET . 1.2 mm? -60.55 -45.39 94.06 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 178.458 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.461 ' HG2' ' CD2' ' B' ' 44' ' ' PHE . 95.3 mt-10 -65.76 -41.12 92.49 Favored 'General case' 0 C--N 1.316 -0.884 0 C-N-CA 119.756 -0.778 . . . . 0.0 109.31 176.485 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.2 m -62.47 -48.95 77.38 Favored 'General case' 0 C--O 1.245 0.848 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.396 177.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.82 -48.55 81.31 Favored 'General case' 0 CA--C 1.509 -0.629 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 178.454 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.515 ' HG2' ' O ' ' A' ' 4' ' ' LEU . 96.5 mmm -63.56 -40.41 96.91 Favored 'General case' 0 N--CA 1.444 -0.772 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.536 -179.804 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -62.5 -35.99 81.1 Favored 'General case' 0 C--O 1.241 0.647 0 C-N-CA 120.108 -0.637 . . . . 0.0 111.2 174.194 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 17.4 m -57.49 -44.43 84.92 Favored 'General case' 0 C--N 1.312 -1.053 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 176.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.535 HD11 ' SD ' ' B' ' 8' ' ' MET . 90.0 mt -63.95 -40.83 97.33 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.88 174.455 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.444 HD11 ' CE2' ' A' ' 71' ' ' PHE . 20.7 mm -62.21 -43.74 98.28 Favored 'Isoleucine or valine' 0 C--O 1.237 0.401 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 -179.493 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 66.1 m-20 -61.08 -43.15 99.32 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.973 -176.044 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 86.1 t -65.33 -43.24 95.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.462 175.305 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.487 ' CE1' ' HB2' ' A' ' 28' ' ' LEU . 62.6 t80 -56.92 -48.07 79.13 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.506 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -59.84 -44.45 94.08 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-N 116.258 -0.428 . . . . 0.0 112.117 176.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.88 -47.9 76.53 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 -179.178 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.463 ' NE2' ' HB2' ' A' ' 36' ' ' LEU . 89.8 m-70 -68.87 -37.05 78.8 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.902 177.316 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 74.1 m -54.88 -40.93 70.26 Favored 'General case' 0 C--O 1.242 0.71 0 N-CA-C 108.307 -0.998 . . . . 0.0 108.307 173.235 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.55 -42.62 97.8 Favored Glycine 0 N--CA 1.45 -0.406 0 N-CA-C 109.932 -1.267 . . . . 0.0 109.932 174.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 60.3 mttm -67.75 -45.57 74.56 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 120.604 0.24 . . . . 0.0 111.37 179.348 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.43 ' OE2' ' N ' ' A' ' 24' ' ' ASP . 0.0 OUTLIER -68.91 -37.24 78.82 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.92 -175.575 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 125.23 -30.44 4.54 Favored Glycine 0 N--CA 1.467 0.757 0 CA-C-N 116.35 -0.386 . . . . 0.0 113.046 175.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.43 ' N ' ' OE2' ' A' ' 22' ' ' GLU . 16.8 t70 -66.85 153.35 43.65 Favored 'General case' 0 CA--C 1.509 -0.621 0 CA-C-N 117.374 0.587 . . . . 0.0 111.434 -177.333 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.471 ' NZ ' ' OH ' ' A' ' 26' ' ' TYR . 32.1 pttt -57.55 -44.49 85.25 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.054 177.059 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.471 ' OH ' ' NZ ' ' A' ' 25' ' ' LYS . 4.3 p90 -158.54 92.69 1.15 Allowed 'General case' 0 C--N 1.315 -0.9 0 CA-C-O 121.646 0.736 . . . . 0.0 110.289 171.819 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.415 ' HG2' ' O ' ' A' ' 26' ' ' TYR . 36.0 mmtm -160.58 164.83 31.65 Favored 'General case' 0 C--N 1.307 -1.266 0 CA-C-N 114.044 -1.435 . . . . 0.0 108.259 174.544 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.51 ' O ' ' N ' ' A' ' 69' ' ' VAL . 36.0 tp -124.37 129.1 50.09 Favored 'General case' 0 C--N 1.294 -1.825 0 N-CA-C 107.575 -1.268 . . . . 0.0 107.575 173.383 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 94.7 p -82.9 165.2 19.95 Favored 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 178.149 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.565 ' HD2' ' N ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -74.85 -6.12 47.33 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 117.913 -1.515 . . . . 0.0 108.51 178.712 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 25.0 mttm -71.46 -59.01 2.99 Favored 'General case' 0 CA--C 1.516 -0.339 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 177.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -65.94 -39.42 90.46 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 114.652 -1.158 . . . . 0.0 110.003 179.437 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.416 ' CD1' HD22 ' A' ' 77' ' ' LEU . 2.2 tm? -60.01 -47.73 84.64 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.621 -174.594 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.497 ' NZ ' ' OD1' ' A' ' 62' ' ' ASP . 4.6 mmmm -67.23 -43.86 80.93 Favored 'General case' 0 C--N 1.312 -1.044 0 C-N-CA 120.209 -0.597 . . . . 0.0 111.384 178.475 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -72.13 -43.8 64.14 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.404 -177.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.463 ' HB2' ' NE2' ' A' ' 18' ' ' HIS . 0.3 OUTLIER -66.89 -40.72 87.83 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.457 -0.497 . . . . 0.0 111.867 179.575 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -60.1 -47.73 84.67 Favored 'General case' 0 CA--C 1.511 -0.523 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.61 -175.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -64.84 -42.55 94.82 Favored 'General case' 0 C--N 1.309 -1.157 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.878 176.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 96.3 m -63.6 -52.58 60.31 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.823 -177.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -73.1 -38.43 66.35 Favored 'General case' 0 N--CA 1.465 0.275 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -175.346 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.8 mp -103.73 40.2 1.47 Allowed 'General case' 0 C--O 1.24 0.595 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.575 -175.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.411 ' O ' ' N ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -55.82 -39.37 71.28 Favored 'General case' 0 C--N 1.307 -1.266 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.865 -176.878 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.38 -46.44 86.16 Favored Glycine 0 N--CA 1.449 -0.442 0 N-CA-C 111.368 -0.693 . . . . 0.0 111.368 178.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.638 ' HA ' ' SD ' ' A' ' 85' ' ' MET . 32.9 m-85 -66.0 -43.36 87.93 Favored 'General case' 0 CA--C 1.496 -1.122 0 CA-C-O 121.382 0.61 . . . . 0.0 109.624 176.095 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 22.3 tp -61.21 -48.38 81.79 Favored 'General case' 0 N--CA 1.429 -1.51 0 CA-C-N 114.99 -1.005 . . . . 0.0 110.877 176.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.411 ' N ' ' O ' ' A' ' 42' ' ' SER . 7.2 m-20 -66.4 -39.53 89.09 Favored 'General case' 0 C--N 1.312 -1.055 0 N-CA-C 112.57 0.582 . . . . 0.0 112.57 177.669 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.621 ' HB1' ' SD ' ' A' ' 85' ' ' MET . . . -56.83 -45.97 82.01 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.905 0.383 . . . . 0.0 110.913 -175.751 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.481 ' HB2' ' HB ' ' A' ' 51' ' ' VAL . 1.0 OUTLIER -116.58 40.87 2.81 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 121.233 0.54 . . . . 0.0 109.554 177.516 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.5 tttp -61.53 -43.21 99.28 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 -175.449 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 59.7 m-20 -93.43 -0.16 56.57 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 114.332 -1.304 . . . . 0.0 112.345 -176.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.486 ' O ' HG11 ' A' ' 54' ' ' VAL . 61.7 t -84.59 133.03 30.19 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.545 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 -178.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -54.78 -32.77 60.54 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -176.097 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.49 -37.04 62.34 Favored 'General case' 0 C--N 1.317 -0.805 0 C-N-CA 120.98 -0.288 . . . . 0.0 111.324 -176.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.486 HG11 ' O ' ' A' ' 51' ' ' VAL . 8.3 p -61.43 -36.67 74.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 C-N-CA 120.611 -0.435 . . . . 0.0 109.922 -178.585 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -59.02 -44.12 91.66 Favored 'General case' 0 CA--C 1.5 -0.956 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 177.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -63.48 -44.75 93.5 Favored 'General case' 0 CA--C 1.489 -1.376 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.31 -177.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 99.8 t -61.73 -45.27 99.05 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.244 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 179.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 13.9 mmm -63.54 -44.84 93.05 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.196 178.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.45 ' NZ ' ' OE2' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -68.39 -48.52 64.48 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.228 -178.228 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -66.58 -42.5 86.88 Favored 'General case' 0 N--CA 1.438 -1.067 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.851 -174.257 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.511 ' HG ' ' CD1' ' A' ' 77' ' ' LEU . 4.5 mm? -63.51 -39.82 95.43 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 119.864 -0.734 . . . . 0.0 110.443 170.099 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.497 ' OD1' ' NZ ' ' A' ' 34' ' ' LYS . 49.8 m-20 -62.58 -18.31 61.87 Favored 'General case' 0 CA--C 1.515 -0.393 0 C-N-CA 120.769 -0.372 . . . . 0.0 111.372 179.581 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.45 ' OE2' ' NZ ' ' A' ' 59' ' ' LYS . 81.0 mm-40 -59.43 -36.27 75.58 Favored 'General case' 0 CA--C 1.511 -0.532 0 N-CA-C 107.399 -1.334 . . . . 0.0 107.399 173.272 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.513 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . 38.5 t-20 -108.45 35.95 3.0 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 114.955 -1.02 . . . . 0.0 108.787 174.29 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.449 ' HA2' ' HE2' ' A' ' 30' ' ' LYS . . . -94.79 20.03 50.84 Favored Glycine 0 C--O 1.228 -0.266 0 N-CA-C 109.917 -1.273 . . . . 0.0 109.917 179.713 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -63.85 -39.83 95.14 Favored 'General case' 0 C--N 1.313 -1.002 0 N-CA-C 112.921 0.711 . . . . 0.0 112.921 -175.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -161.46 -70.95 0.02 OUTLIER Glycine 0 CA--C 1.527 0.809 0 C-N-CA 119.71 -1.233 . . . . 0.0 113.947 -176.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -113.16 154.14 27.15 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 -173.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.51 ' N ' ' O ' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -130.32 132.75 64.75 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 C-N-CA 123.73 0.812 . . . . 0.0 109.431 173.046 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.36 -173.39 3.05 Favored 'General case' 0 C--N 1.312 -1.05 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 178.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.448 ' HB3' ' HB ' ' B' ' 83' ' ' VAL . 29.9 t80 -61.33 -43.24 99.2 Favored 'General case' 0 C--N 1.301 -1.533 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.849 178.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -59.27 -45.61 90.75 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.37 179.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.478 ' HB2' HG22 ' A' ' 69' ' ' VAL . 81.6 mt-10 -65.71 -39.27 91.04 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 119.723 -0.791 . . . . 0.0 109.555 175.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -61.11 -48.74 80.25 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.483 -179.007 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 32.8 m -66.52 -40.64 86.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 -178.277 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.431 ' O ' ' N ' ' A' ' 80' ' ' ALA . 14.7 p -63.85 -39.14 84.35 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 C-N-CA 120.446 -0.502 . . . . 0.0 110.288 -177.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.511 ' CD1' ' HG ' ' A' ' 61' ' ' LEU . 44.2 tp -61.34 -49.44 76.95 Favored 'General case' 0 CA--C 1.513 -0.45 0 C-N-CA 120.684 -0.407 . . . . 0.0 110.902 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 29.9 m -68.12 -42.68 85.18 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.823 0 C-N-CA 119.877 -0.729 . . . . 0.0 109.989 178.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.423 ' CB ' ' CG2' ' B' ' 75' ' ' VAL . . . -64.03 -39.54 94.33 Favored 'General case' 0 CA--C 1.506 -0.736 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.233 179.141 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 76' ' ' VAL . . . -57.31 -47.21 82.1 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 -178.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 93.9 mt -63.04 -41.14 99.44 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.42 173.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 20.6 m -60.74 -51.94 67.21 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.688 -178.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.41 ' HB ' ' HB3' ' B' ' 71' ' ' PHE . 7.2 p -63.85 -43.19 97.76 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.552 0 C-N-CA 119.88 -0.728 . . . . 0.0 110.509 178.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.54 -49.61 76.84 Favored 'General case' 0 N--CA 1.441 -0.882 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 179.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' MET . . . . . 0.638 ' SD ' ' HA ' ' A' ' 44' ' ' PHE . 26.2 ttp -73.29 -44.69 58.7 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 120.162 -0.615 . . . . 0.0 111.28 -178.421 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.41 ' HB3' ' NE1' ' A' ' 90' ' ' TRP . 10.8 m120 -61.94 -33.97 75.25 Favored 'General case' 0 CA--C 1.503 -0.858 0 C-N-CA 121.027 -0.269 . . . . 0.0 110.886 -176.493 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.473 ' HA ' ' CE3' ' A' ' 90' ' ' TRP . 36.8 t30 -49.97 -35.14 23.16 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.033 175.761 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -61.34 -44.17 97.63 Favored 'General case' 0 C--O 1.222 -0.351 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 176.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -64.49 -40.04 94.92 Favored 'General case' 0 CA--C 1.511 -0.532 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.793 176.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . 0.498 ' HB3' ' CD1' ' B' ' 26' ' ' TYR . 38.2 m0 . . . . . 0 C--N 1.313 -1.004 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 -179.004 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 4.8 m . . . . . 0 N--CA 1.448 -0.574 0 CA-C-O 120.929 0.395 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 54.9 mp0 -51.73 -17.96 1.07 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.147 -177.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.421 ' O ' ' HG2' ' B' ' 8' ' ' MET . 96.0 mt -61.52 -41.84 97.92 Favored 'General case' 0 N--CA 1.44 -0.949 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.855 -178.042 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -62.01 -45.94 91.37 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 120.207 -0.597 . . . . 0.0 110.01 178.375 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 7.4 m -63.29 -45.85 89.49 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.061 0.458 . . . . 0.0 109.985 175.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.8 -46.79 77.92 Favored 'General case' 0 CA--C 1.513 -0.471 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 178.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' MET . . . . . 0.535 ' SD ' HD11 ' A' ' 11' ' ' LEU . 95.5 mmm -63.31 -41.08 98.91 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.208 179.647 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -66.01 -35.69 81.25 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 119.037 -1.065 . . . . 0.0 110.279 175.034 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 10.5 m -57.62 -43.44 84.76 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 177.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.496 ' CD2' HD11 ' A' ' 4' ' ' LEU . 94.7 mt -61.9 -42.76 99.46 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.327 175.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.495 HD13 ' CE2' ' B' ' 71' ' ' PHE . 22.5 mm -62.84 -45.38 98.99 Favored 'Isoleucine or valine' 0 C--O 1.24 0.588 0 CA-C-O 121.186 0.517 . . . . 0.0 110.209 -178.157 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 60.7 m-80 -64.35 -41.22 96.86 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.32 -179.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . 0.423 ' CG2' HD21 ' A' ' 4' ' ' LEU . 90.7 t -66.63 -43.78 90.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 176.339 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -58.53 -47.39 84.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.467 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.462 ' HA ' ' OG ' ' B' ' 19' ' ' SER . 23.4 m-70 -78.16 -15.44 58.84 Favored 'General case' 0 C--O 1.24 0.558 0 N-CA-C 113.364 0.876 . . . . 0.0 113.364 -178.216 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.48 -34.98 69.6 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 175.119 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.418 ' O ' ' HB2' ' B' ' 21' ' ' LYS . 92.3 m-70 -89.06 -23.84 22.46 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 114.928 -1.033 . . . . 0.0 112.014 177.095 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.462 ' OG ' ' HA ' ' B' ' 16' ' ' HIS . 73.9 m -54.71 -37.77 66.26 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 120.445 -0.502 . . . . 0.0 109.998 178.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.18 -27.41 70.53 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 110.641 -0.984 . . . . 0.0 110.641 178.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . 0.418 ' HB2' ' O ' ' B' ' 18' ' ' HIS . 14.6 mmtp -67.15 -43.81 81.36 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 112.913 0.709 . . . . 0.0 112.913 -172.496 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.528 ' CD ' ' HG ' ' B' ' 29' ' ' SER . 0.0 OUTLIER -143.11 -63.67 0.41 Allowed 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 -176.605 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.46 -166.11 0.37 Allowed Glycine 0 CA--C 1.528 0.854 0 CA-C-N 115.602 -0.726 . . . . 0.0 113.401 -170.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . 0.501 ' CG ' ' H ' ' B' ' 25' ' ' LYS . 32.7 t70 -64.33 175.24 1.37 Allowed 'General case' 0 C--O 1.237 0.403 0 C-N-CA 123.237 0.615 . . . . 0.0 110.822 -179.263 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.501 ' H ' ' CG ' ' B' ' 24' ' ' ASP . 8.6 pttm -51.84 -41.19 61.63 Favored 'General case' 0 C--O 1.24 0.566 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 176.266 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.498 ' CD1' ' HB3' ' A' ' 90' ' ' TRP . 0.0 OUTLIER -126.52 92.09 3.49 Favored 'General case' 0 N--CA 1.445 -0.722 0 C-N-CA 119.629 -0.828 . . . . 0.0 110.337 168.318 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.58 ' NZ ' ' HB3' ' B' ' 70' ' ' ASP . 0.6 OUTLIER -167.01 179.69 5.09 Favored 'General case' 0 C--N 1.31 -1.132 0 C-N-CA 124.795 1.238 . . . . 0.0 107.957 169.591 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 48.0 tp -146.03 132.64 19.86 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 173.229 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' SER . . . . . 0.528 ' HG ' ' CD ' ' B' ' 22' ' ' GLU . 2.5 m -83.52 158.26 22.06 Favored 'General case' 0 C--N 1.314 -0.948 0 C-N-CA 119.605 -0.838 . . . . 0.0 109.025 177.382 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.559 ' NZ ' ' O ' ' B' ' 64' ' ' ASN . 0.3 OUTLIER -66.98 -5.82 14.36 Favored 'General case' 0 C--O 1.246 0.869 0 C-N-CA 120.014 -0.674 . . . . 0.0 109.623 179.535 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 46.9 mttm -65.85 -67.16 0.46 Allowed 'General case' 0 CA--C 1.514 -0.41 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.053 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.554 ' O ' ' N ' ' B' ' 36' ' ' LEU . 66.2 mm-40 -65.76 -36.15 82.75 Favored 'General case' 0 N--CA 1.434 -1.258 0 CA-C-N 114.609 -1.178 . . . . 0.0 110.857 -179.682 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.461 ' HB2' HG13 ' B' ' 69' ' ' VAL . 1.8 tm? -57.15 -49.23 76.59 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 -168.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 38.5 mtmm -63.77 -43.91 94.96 Favored 'General case' 0 C--N 1.317 -0.832 0 C-N-CA 118.972 -1.091 . . . . 0.0 109.37 -179.024 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -68.65 -40.53 80.19 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-N 114.324 -1.307 . . . . 0.0 109.79 -178.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.554 ' N ' ' O ' ' B' ' 32' ' ' GLU . 3.6 tp -62.54 -45.63 92.07 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.114 -0.948 . . . . 0.0 110.371 171.617 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -63.15 -45.78 90.25 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.943 -178.205 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -64.27 -46.0 85.59 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.061 -0.656 . . . . 0.0 112.462 -177.002 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.436 HG21 ' O ' ' B' ' 36' ' ' LEU . 0.5 OUTLIER -61.77 -51.76 67.01 Favored 'General case' 0 C--O 1.244 0.809 0 C-N-CA 119.632 -0.827 . . . . 0.0 111.394 -177.148 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 40.1 mm-40 -69.58 -36.46 76.27 Favored 'General case' 0 N--CA 1.439 -0.978 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -174.142 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 9.3 mp -102.77 28.66 5.94 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.532 179.396 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 30.8 m -52.61 -42.13 64.31 Favored 'General case' 0 C--O 1.242 0.676 0 CA-C-O 120.823 0.344 . . . . 0.0 110.721 -178.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -61.75 -44.65 97.61 Favored Glycine 0 N--CA 1.449 -0.452 0 N-CA-C 110.704 -0.958 . . . . 0.0 110.704 179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . 0.461 ' CD2' ' HG2' ' A' ' 5' ' ' GLU . 14.0 m-85 -73.12 -45.63 55.84 Favored 'General case' 0 CA--C 1.501 -0.913 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.452 176.291 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 15.2 tp -61.62 -49.95 74.54 Favored 'General case' 0 C--N 1.312 -1.028 0 N-CA-C 114.059 1.133 . . . . 0.0 114.059 -172.157 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -65.55 -36.9 85.14 Favored 'General case' 0 C--N 1.306 -1.31 0 C-N-CA 120.189 -0.604 . . . . 0.0 110.9 -177.355 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.64 -34.97 78.13 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.381 178.31 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.445 ' HG3' ' O ' ' B' ' 44' ' ' PHE . 2.7 pp0? -103.62 15.06 29.82 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 -172.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -59.09 -40.29 84.83 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 120.722 -0.391 . . . . 0.0 111.809 179.246 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -98.75 22.77 9.58 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-O 120.734 0.302 . . . . 0.0 111.623 -175.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . 0.476 ' O ' ' N ' ' B' ' 53' ' ' ALA . 45.9 t -104.38 14.6 6.86 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.392 -179.532 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 19.8 t70 60.84 -46.94 0.11 Allowed 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 112.763 0.653 . . . . 0.0 112.763 176.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . 0.476 ' N ' ' O ' ' B' ' 51' ' ' VAL . . . -48.49 -34.53 11.34 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.812 -174.206 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . 0.434 ' HB ' ' OE1' ' B' ' 48' ' ' GLN . 14.7 p -52.56 -37.57 24.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 179.297 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.574 ' CG ' ' HZ2' ' B' ' 59' ' ' LYS . 33.7 t70 -61.48 -48.06 82.81 Favored 'General case' 0 CA--C 1.51 -0.579 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.67 176.279 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 41.0 mttp -65.42 -43.33 90.86 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.487 -178.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . 0.509 ' CG1' HD11 ' B' ' 77' ' ' LEU . 70.5 t -64.44 -44.73 97.06 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-N 115.121 -0.945 . . . . 0.0 108.649 178.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 65.9 ttp -60.58 -38.84 85.96 Favored 'General case' 0 N--CA 1.43 -1.455 0 CA-C-N 114.346 -1.297 . . . . 0.0 109.549 173.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . 0.574 ' HZ2' ' CG ' ' B' ' 55' ' ' ASP . 0.4 OUTLIER -59.95 -48.77 80.32 Favored 'General case' 0 CA--C 1.508 -0.656 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.37 -174.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -63.26 -41.54 99.05 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.274 -178.16 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -62.93 -39.82 95.77 Favored 'General case' 0 C--N 1.314 -0.965 0 C-N-CA 120.193 -0.603 . . . . 0.0 109.846 175.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -64.53 -40.24 95.24 Favored 'General case' 0 C--O 1.234 0.273 0 O-C-N 123.561 0.538 . . . . 0.0 110.541 176.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . 0.466 ' HG3' ' O ' ' B' ' 59' ' ' LYS . 98.7 mt-10 -60.3 -41.13 92.76 Favored 'General case' 0 CA--C 1.51 -0.576 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 178.211 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.559 ' O ' ' NZ ' ' B' ' 30' ' ' LYS . 23.2 m120 -90.24 17.42 7.14 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-N 114.49 -1.232 . . . . 0.0 109.39 176.068 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -104.51 26.02 24.0 Favored Glycine 0 C--O 1.224 -0.491 0 CA-C-N 116.059 -0.519 . . . . 0.0 112.194 -174.107 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -61.72 -41.39 97.57 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.778 178.485 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -136.69 -71.57 0.06 OUTLIER Glycine 0 C--N 1.32 -0.359 0 N-CA-C 111.649 -0.58 . . . . 0.0 111.649 -177.48 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -133.63 176.47 8.52 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.342 0.592 . . . . 0.0 112.181 -178.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.473 ' CG2' ' HB2' ' B' ' 73' ' ' GLU . 1.5 p -127.21 136.59 60.26 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.162 0 C-N-CA 124.342 1.057 . . . . 0.0 109.288 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.58 ' HB3' ' NZ ' ' B' ' 27' ' ' LYS . 0.6 OUTLIER -101.17 -176.96 3.3 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 121.583 0.706 . . . . 0.0 111.59 179.151 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.495 ' CE2' HD13 ' B' ' 12' ' ' ILE . 48.2 t80 -60.14 -44.05 95.25 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-N 114.822 -1.081 . . . . 0.0 109.769 -179.066 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . 0.43 ' O ' HG21 ' B' ' 75' ' ' VAL . 24.6 mt-30 -60.03 -40.78 90.51 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.659 179.225 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.473 ' HB2' ' CG2' ' B' ' 69' ' ' VAL . 70.6 mt-10 -67.18 -41.9 85.15 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 119.172 -1.011 . . . . 0.0 109.25 173.749 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -61.16 -49.43 77.25 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.266 -176.151 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . 0.43 HG21 ' O ' ' B' ' 72' ' ' GLN . 31.0 m -64.18 -42.56 95.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 116.267 -0.424 . . . . 0.0 112.123 -178.821 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . 0.475 ' O ' ' N ' ' B' ' 80' ' ' ALA . 11.7 p -66.18 -39.02 83.24 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 C-N-CA 120.113 -0.635 . . . . 0.0 110.114 178.069 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . 0.509 HD11 ' CG1' ' B' ' 57' ' ' VAL . 57.7 tp -61.48 -49.06 78.31 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.668 -179.456 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 19.6 m -67.91 -41.98 85.27 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 C-N-CA 119.949 -0.7 . . . . 0.0 110.371 178.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.71 -42.55 99.7 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.86 176.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . 0.475 ' N ' ' O ' ' B' ' 76' ' ' VAL . . . -56.33 -48.56 76.5 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.632 -178.698 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 88.3 mt -64.05 -42.23 97.1 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.373 174.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 15.8 m -62.52 -49.11 76.64 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.663 -177.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . 0.448 ' HB ' ' HB3' ' A' ' 71' ' ' PHE . 14.7 p -61.51 -45.87 97.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.749 0.309 . . . . 0.0 111.246 -179.528 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -58.55 -50.95 71.9 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 120.568 -0.453 . . . . 0.0 110.013 -179.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 85' ' ' MET . . . . . 0.413 ' SD ' ' HD1' ' B' ' 44' ' ' PHE . 0.0 OUTLIER -66.41 -44.59 82.57 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.801 178.542 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -63.67 -39.29 93.95 Favored 'General case' 0 CA--C 1.508 -0.66 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.986 -179.115 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -49.63 -39.58 36.43 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.165 177.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -62.08 -41.89 98.64 Favored 'General case' 0 C--O 1.217 -0.643 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.082 175.389 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 . . . . . 0 C--N 1.322 -0.596 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.345 175.863 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' SER . . . . . 0.472 ' HG ' ' CD ' ' B' ' 40' ' ' GLU . 7.9 m . . . . . 0 C--O 1.238 0.475 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -51.26 -17.39 0.69 Allowed 'General case' 0 C--O 1.237 0.44 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 178.017 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.448 ' N ' ' C ' ' A' ' 2' ' ' SER . 0.1 OUTLIER -56.91 -45.59 82.57 Favored 'General case' 0 N--CA 1.435 -1.193 0 CA-C-N 114.68 -1.146 . . . . 0.0 109.118 -175.088 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.444 ' HG2' ' CD2' ' B' ' 44' ' ' PHE . 98.6 mt-10 -65.3 -42.34 93.15 Favored 'General case' 0 N--CA 1.445 -0.675 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.963 179.029 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.9 m -62.22 -46.04 90.64 Favored 'General case' 0 C--O 1.244 0.777 0 CA-C-O 121.092 0.472 . . . . 0.0 110.051 175.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.45 -49.48 76.11 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.817 179.217 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 96.9 mmm -65.36 -41.04 94.23 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.095 179.496 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -64.65 -35.68 81.82 Favored 'General case' 0 CA--C 1.513 -0.468 0 C-N-CA 119.888 -0.725 . . . . 0.0 111.283 177.176 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 18.6 m -58.33 -43.38 88.21 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 176.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 83.8 mt -62.91 -40.77 98.6 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.334 174.171 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.457 HD12 ' CE2' ' A' ' 71' ' ' PHE . 20.9 mm -62.36 -44.23 98.99 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 CA-C-O 121.091 0.472 . . . . 0.0 109.82 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 43.2 m-80 -62.17 -41.9 98.75 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.532 -177.355 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.403 HG21 HD13 ' B' ' 4' ' ' LEU . 91.2 t -63.26 -42.87 97.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 174.802 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -58.35 -47.93 82.2 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.487 178.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -60.86 -43.32 98.51 Favored 'General case' 0 CA--C 1.506 -0.739 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.422 174.288 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.29 -48.76 68.08 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.359 -176.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -75.74 -31.49 59.62 Favored 'General case' 0 C--N 1.319 -0.759 0 C-N-CA 120.637 -0.425 . . . . 0.0 111.858 176.048 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 70.2 m -52.2 -42.33 63.41 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.642 -177.018 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.29 -28.42 70.88 Favored Glycine 0 CA--C 1.528 0.848 0 N-CA-C 111.491 -0.644 . . . . 0.0 111.491 -179.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -64.29 -41.54 96.82 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 -173.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.459 ' CD ' ' HG ' ' A' ' 29' ' ' SER . 0.0 OUTLIER -144.52 -53.13 0.31 Allowed 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -177.838 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.25 -178.38 1.21 Allowed Glycine 0 CA--C 1.527 0.827 0 CA-C-N 116.25 -0.432 . . . . 0.0 112.889 -173.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.417 ' O ' ' C ' ' A' ' 25' ' ' LYS . 26.2 t70 -60.85 163.07 6.06 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.214 -0.493 . . . . 0.0 109.719 177.624 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 24' ' ' ASP . 0.5 OUTLIER -37.45 -41.26 0.43 Allowed 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 120.97 -0.292 . . . . 0.0 110.349 -176.918 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.492 ' O ' ' HG2' ' A' ' 27' ' ' LYS . 10.7 p90 -132.44 90.16 2.75 Favored 'General case' 0 N--CA 1.441 -0.901 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.081 167.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.492 ' HG2' ' O ' ' A' ' 26' ' ' TYR . 2.0 mmmm -165.97 161.7 17.64 Favored 'General case' 0 C--N 1.316 -0.881 0 C-N-CA 125.532 1.533 . . . . 0.0 107.145 170.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 55.6 tp -123.92 131.09 53.52 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.123 175.27 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.459 ' HG ' ' CD ' ' A' ' 22' ' ' GLU . 1.1 m -86.92 158.21 19.34 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 176.743 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.657 ' NZ ' ' HA ' ' A' ' 62' ' ' ASP . 10.3 mmmm -68.97 -7.08 31.93 Favored 'General case' 0 C--N 1.311 -1.092 0 C-N-CA 119.534 -0.866 . . . . 0.0 110.161 -177.433 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 47.3 mttm -64.29 -48.6 75.05 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-O 121.795 0.807 . . . . 0.0 109.139 -177.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.528 ' O ' ' N ' ' A' ' 36' ' ' LEU . 68.2 mm-40 -86.82 -30.87 21.18 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 114.456 -1.247 . . . . 0.0 111.003 -178.817 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.454 ' HB2' HG11 ' A' ' 69' ' ' VAL . 3.2 tm? -59.02 -43.77 91.63 Favored 'General case' 0 C--N 1.313 -0.999 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 -177.249 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.492 ' HZ3' ' CG ' ' A' ' 62' ' ' ASP . 59.6 mttp -63.51 -42.41 98.48 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.227 -0.589 . . . . 0.0 110.719 177.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.405 ' O ' ' CG2' ' A' ' 39' ' ' THR . 6.0 mm-40 -67.17 -43.68 81.63 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.748 0.785 . . . . 0.0 108.91 175.765 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.528 ' N ' ' O ' ' A' ' 32' ' ' GLU . 21.4 tp -60.88 -48.33 82.31 Favored 'General case' 0 C--N 1.309 -1.191 0 CA-C-N 114.357 -1.292 . . . . 0.0 112.747 -178.37 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -64.13 -44.93 90.72 Favored 'General case' 0 C--N 1.309 -1.177 0 C-N-CA 120.091 -0.643 . . . . 0.0 111.394 -176.229 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -66.44 -44.87 81.63 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 112.867 0.691 . . . . 0.0 112.867 -178.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.405 ' CG2' ' O ' ' A' ' 35' ' ' GLU . 0.9 OUTLIER -66.11 -52.65 46.66 Favored 'General case' 0 C--O 1.24 0.574 0 C-N-CA 120.308 -0.557 . . . . 0.0 111.963 -178.126 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -72.39 -35.14 68.34 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 -171.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 11.1 mp -99.88 35.23 2.07 Favored 'General case' 0 CA--C 1.508 -0.646 0 CA-C-O 121.272 0.558 . . . . 0.0 109.704 177.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.31 -36.24 70.86 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.947 -176.685 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.54 -42.71 80.18 Favored Glycine 0 C--O 1.241 0.534 0 N-CA-C 111.268 -0.733 . . . . 0.0 111.268 176.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.765 ' HA ' ' SD ' ' A' ' 85' ' ' MET . 54.8 m-85 -69.58 -41.57 75.64 Favored 'General case' 0 CA--C 1.496 -1.123 0 CA-C-O 121.619 0.723 . . . . 0.0 109.419 177.749 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 48.9 tp -62.01 -44.03 97.58 Favored 'General case' 0 N--CA 1.431 -1.406 0 CA-C-N 114.457 -1.247 . . . . 0.0 110.188 175.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -58.72 -45.9 88.57 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.641 176.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.659 ' CB ' ' SD ' ' A' ' 85' ' ' MET . . . -62.76 -36.39 82.91 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.818 -175.207 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -131.0 47.55 2.53 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 -176.006 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -63.19 -39.54 94.95 Favored 'General case' 0 C--O 1.242 0.698 0 C-N-CA 120.12 -0.632 . . . . 0.0 109.868 172.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -80.05 -3.94 50.64 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-N 114.581 -1.191 . . . . 0.0 112.428 -173.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.414 ' O ' HG13 ' A' ' 54' ' ' VAL . 8.7 t -88.71 132.54 33.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 -179.74 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.64 -28.46 67.25 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.796 -179.139 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.69 -38.86 92.06 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.729 -0.669 . . . . 0.0 112.615 -173.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.414 HG13 ' O ' ' A' ' 51' ' ' VAL . 9.6 p -57.21 -43.62 82.14 Favored 'Isoleucine or valine' 0 C--O 1.237 0.413 0 C-N-CA 120.661 -0.416 . . . . 0.0 111.041 -174.632 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -59.79 -50.01 75.48 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.829 0.823 . . . . 0.0 109.51 176.004 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.403 ' O ' ' HG3' ' A' ' 60' ' ' GLU . 44.6 mttp -65.2 -40.85 94.75 Favored 'General case' 0 C--N 1.306 -1.322 0 CA-C-N 114.249 -1.342 . . . . 0.0 111.325 -176.057 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 53.0 t -60.87 -47.07 95.01 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.848 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 177.353 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 57.5 ttp -61.48 -42.24 98.48 Favored 'General case' 0 C--N 1.306 -1.291 0 CA-C-N 114.653 -1.158 . . . . 0.0 110.323 174.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.15 -37.54 87.73 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.772 -176.704 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' A' ' 56' ' ' LYS . 90.6 mt-10 -58.46 -35.12 71.67 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.13 0.491 . . . . 0.0 110.295 178.203 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.468 ' C ' ' HZ2' ' A' ' 30' ' ' LYS . 2.4 mm? -62.66 -35.92 81.2 Favored 'General case' 0 C--N 1.308 -1.225 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.289 176.01 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.657 ' HA ' ' NZ ' ' A' ' 30' ' ' LYS . 94.2 m-20 -69.19 -20.88 63.99 Favored 'General case' 0 C--N 1.313 -0.983 0 C-N-CA 120.689 -0.404 . . . . 0.0 112.005 178.448 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -62.58 -69.56 0.25 Allowed 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 175.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.426 ' C ' ' H ' ' A' ' 66' ' ' ASP . 16.8 t-20 -67.47 -48.39 67.3 Favored 'General case' 0 CA--C 1.502 -0.885 0 CA-C-O 121.593 0.711 . . . . 0.0 109.73 178.59 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.42 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . . . -74.22 54.17 2.29 Favored Glycine 0 N--CA 1.434 -1.464 0 N-CA-C 108.961 -1.656 . . . . 0.0 108.961 178.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.426 ' H ' ' C ' ' A' ' 64' ' ' ASN . 33.2 t70 -63.1 -34.82 78.42 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-O 121.58 0.705 . . . . 0.0 109.138 -179.809 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -121.99 -62.65 0.22 Allowed Glycine 0 C--N 1.318 -0.442 0 CA-C-N 114.762 -1.108 . . . . 0.0 110.648 179.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -117.64 167.9 10.91 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 110.413 -0.217 . . . . 0.0 110.413 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.454 HG11 ' HB2' ' A' ' 33' ' ' LEU . 2.4 p -128.17 133.3 67.31 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 173.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -98.94 -177.12 3.53 Favored 'General case' 0 C--N 1.316 -0.863 0 C-N-CA 120.341 -0.544 . . . . 0.0 110.335 -179.8 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.457 ' CE2' HD12 ' A' ' 12' ' ' ILE . 61.6 t80 -60.93 -44.74 96.79 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-O 121.388 0.613 . . . . 0.0 109.993 179.111 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.425 ' O ' HG22 ' A' ' 75' ' ' VAL . 50.5 mt-30 -60.3 -40.25 89.87 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.159 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.414 ' CB ' HG23 ' A' ' 69' ' ' VAL . 89.9 mt-10 -69.73 -41.06 75.79 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.134 -0.626 . . . . 0.0 110.685 173.481 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 31.4 t80 -60.53 -48.77 80.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.82 -178.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.518 HG23 ' CB ' ' B' ' 79' ' ' ALA . 27.6 m -63.06 -44.37 99.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -179.229 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.41 ' O ' ' N ' ' A' ' 80' ' ' ALA . 13.6 p -64.82 -39.27 85.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.571 -178.148 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.456 ' HB2' ' HG ' ' A' ' 61' ' ' LEU . 47.9 tp -60.8 -48.66 80.77 Favored 'General case' 0 CA--C 1.508 -0.651 0 CA-C-O 121.05 0.452 . . . . 0.0 110.595 -179.171 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 18.4 m -68.25 -41.59 83.94 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.179 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.614 178.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.423 ' CB ' HG22 ' B' ' 75' ' ' VAL . . . -62.78 -40.42 97.25 Favored 'General case' 0 CA--C 1.508 -0.64 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.734 176.738 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.41 ' N ' ' O ' ' A' ' 76' ' ' VAL . . . -57.06 -48.72 77.86 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.046 -178.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 94.5 mt -63.55 -40.11 96.14 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 174.135 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.462 ' HA ' ' CE2' ' A' ' 44' ' ' PHE . 19.8 m -61.54 -50.32 73.14 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.209 -178.467 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.406 HG12 ' HG3' ' B' ' 72' ' ' GLN . 10.0 p -61.86 -43.66 97.71 Favored 'Isoleucine or valine' 0 C--O 1.238 0.471 0 C-N-CA 120.26 -0.576 . . . . 0.0 110.22 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.18 -50.9 72.25 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.274 179.199 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' MET . . . . . 0.765 ' SD ' ' HA ' ' A' ' 44' ' ' PHE . 34.1 ttp -74.64 -42.46 58.49 Favored 'General case' 0 C--O 1.221 -0.426 0 C-N-CA 120.176 -0.61 . . . . 0.0 111.145 -179.174 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.559 ' OD1' ' NE1' ' A' ' 90' ' ' TRP . 1.8 t-20 -62.77 -33.89 76.09 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 119.877 -0.729 . . . . 0.0 110.544 -173.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.607 ' HA ' ' CD2' ' A' ' 90' ' ' TRP . 0.1 OUTLIER -48.92 -31.93 8.16 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.572 174.758 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.476 ' HB3' ' O ' ' A' ' 85' ' ' MET . 54.1 t80 -58.75 -44.71 90.64 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.873 176.701 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -62.72 -44.26 96.69 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.275 177.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . 0.607 ' CD2' ' HA ' ' A' ' 87' ' ' ASN . 3.2 m0 . . . . . 0 CA--C 1.507 -0.696 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 -175.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 14.6 m . . . . . 0 C--O 1.239 0.524 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -46.59 -26.79 0.96 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.756 0.312 . . . . 0.0 110.727 -178.227 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.433 ' O ' ' HG2' ' B' ' 8' ' ' MET . 0.7 OUTLIER -60.46 -41.86 94.98 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.666 -178.926 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 -62.61 -40.68 97.71 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 119.387 -0.925 . . . . 0.0 109.556 176.442 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' THR . . . . . 0.41 ' O ' ' N ' ' B' ' 10' ' ' THR . 10.9 m -63.63 -47.53 80.96 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-O 121.467 0.651 . . . . 0.0 109.276 175.117 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.55 -47.34 84.54 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.64 -179.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' MET . . . . . 0.433 ' HG2' ' O ' ' B' ' 4' ' ' LEU . 96.6 mmm -63.39 -40.63 97.74 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.545 -0.462 . . . . 0.0 110.597 179.341 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.33 -37.25 86.5 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 119.63 -0.828 . . . . 0.0 110.685 172.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' THR . . . . . 0.41 ' N ' ' O ' ' B' ' 6' ' ' THR . 8.8 m -58.31 -43.19 88.03 Favored 'General case' 0 C--O 1.237 0.428 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 177.062 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 98.4 mt -62.22 -41.43 98.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.864 176.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.425 HD13 ' CE2' ' B' ' 71' ' ' PHE . 26.4 mm -62.53 -44.14 99.05 Favored 'Isoleucine or valine' 0 C--O 1.236 0.384 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 178.811 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -61.62 -43.61 98.55 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.645 -177.317 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 93.6 t -65.4 -47.31 87.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 174.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -59.26 -49.1 79.14 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.078 -177.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.502 ' CE1' ' HB3' ' B' ' 26' ' ' TYR . 11.1 m-70 -80.78 -15.51 56.23 Favored 'General case' 0 CA--C 1.508 -0.661 0 N-CA-C 113.522 0.934 . . . . 0.0 113.522 -178.361 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.27 -42.57 91.52 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 107.551 -1.277 . . . . 0.0 107.551 174.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.41 ' ND1' ' OE1' ' B' ' 32' ' ' GLU . 87.4 m-70 -73.94 -34.92 64.49 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.608 -1.178 . . . . 0.0 111.785 176.058 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 72.2 m -50.3 -37.04 34.4 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-O 120.848 0.356 . . . . 0.0 111.752 -176.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.87 -21.66 52.4 Favored Glycine 0 C--N 1.31 -0.884 0 N-CA-C 111.682 -0.567 . . . . 0.0 111.682 -179.192 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -81.57 -72.48 0.43 Allowed 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 114.104 1.15 . . . . 0.0 114.104 -169.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.438 ' CD ' ' HG ' ' B' ' 29' ' ' SER . 46.1 mt-10 -67.03 -45.15 78.37 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 113.813 -1.54 . . . . 0.0 114.252 -160.595 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -179.03 -73.93 0.06 OUTLIER Glycine 0 CA--C 1.527 0.788 0 C-N-CA 119.075 -1.536 . . . . 0.0 114.424 -177.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -59.94 157.45 12.58 Favored 'General case' 0 CA--C 1.507 -0.679 0 O-C-N 122.537 -0.39 . . . . 0.0 111.198 -172.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -62.43 -43.03 99.8 Favored 'General case' 0 CA--C 1.481 -1.7 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 176.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.502 ' HB3' ' CE1' ' B' ' 16' ' ' HIS . 0.0 OUTLIER -139.5 93.09 2.63 Favored 'General case' 0 N--CA 1.427 -1.586 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.447 177.012 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.431 ' HG2' ' O ' ' B' ' 26' ' ' TYR . 5.8 mmtm -163.71 167.46 21.01 Favored 'General case' 0 CA--C 1.498 -1.038 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.552 173.33 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.474 ' O ' ' N ' ' B' ' 69' ' ' VAL . 48.2 tp -124.69 133.13 53.31 Favored 'General case' 0 C--N 1.292 -1.892 0 N-CA-C 107.173 -1.417 . . . . 0.0 107.173 170.498 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' SER . . . . . 0.438 ' HG ' ' CD ' ' B' ' 22' ' ' GLU . 0.7 OUTLIER -101.24 -177.54 3.47 Favored 'General case' 0 C--N 1.307 -1.262 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.03 -176.002 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.539 ' NZ ' ' O ' ' B' ' 65' ' ' GLY . 8.3 mmmm -80.98 0.55 35.1 Favored 'General case' 0 C--N 1.314 -0.942 0 C-N-CA 120.84 -0.344 . . . . 0.0 111.765 -174.202 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.419 ' O ' ' HG2' ' B' ' 35' ' ' GLU . 6.4 mttt -88.61 -62.97 1.37 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 -179.433 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.41 ' OE1' ' ND1' ' B' ' 18' ' ' HIS . 67.1 mm-40 -66.98 -34.43 77.73 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.565 -179.369 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -58.83 -43.83 90.78 Favored 'General case' 0 C--O 1.238 0.469 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 -178.425 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 46.1 mttp -63.37 -42.85 98.88 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 176.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . 0.475 ' O ' HG21 ' B' ' 39' ' ' THR . 80.4 mm-40 -67.75 -42.02 82.44 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.551 -176.721 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -82.09 -40.28 22.17 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 113.227 0.825 . . . . 0.0 113.227 -173.53 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -60.37 -42.46 95.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.169 0.509 . . . . 0.0 110.002 -178.209 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -59.58 -42.25 92.08 Favored 'General case' 0 C--N 1.312 -1.064 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.475 HG21 ' O ' ' B' ' 35' ' ' GLU . 2.8 p -80.41 -50.13 10.52 Favored 'General case' 0 CA--C 1.506 -0.719 0 C-N-CA 120.044 -0.663 . . . . 0.0 111.083 -178.606 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . 0.472 ' CD ' ' HG ' ' A' ' 2' ' ' SER . 62.5 mm-40 -58.25 -40.17 81.07 Favored 'General case' 0 N--CA 1.439 -1.013 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.646 -172.253 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 8.4 mp -107.51 31.52 5.37 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.376 177.006 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 2.6 p -55.29 -37.69 67.64 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.981 -176.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -64.24 -48.14 77.67 Favored Glycine 0 C--O 1.242 0.629 0 N-CA-C 110.561 -1.016 . . . . 0.0 110.561 176.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . 0.455 ' HD1' ' SD ' ' B' ' 85' ' ' MET . 29.5 m-85 -66.2 -41.41 90.21 Favored 'General case' 0 CA--C 1.503 -0.856 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.408 178.404 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.0 tp -60.51 -47.42 86.23 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.254 -0.884 . . . . 0.0 110.722 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -67.69 -43.04 81.07 Favored 'General case' 0 C--N 1.317 -0.807 0 C-N-CA 119.733 -0.787 . . . . 0.0 111.108 176.546 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.7 -49.14 78.91 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.711 -177.094 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.448 ' NE2' ' HB ' ' B' ' 54' ' ' VAL . 0.0 OUTLIER -103.9 37.08 2.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.338 0.589 . . . . 0.0 110.585 178.911 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 1.5 tttp -61.97 -42.14 98.8 Favored 'General case' 0 C--N 1.308 -1.239 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.509 -179.031 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -85.43 37.7 0.7 Allowed 'General case' 0 C--O 1.239 0.522 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.284 -179.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 54.9 t -118.17 130.27 73.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 120.974 0.416 . . . . 0.0 110.727 -179.236 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -58.06 -39.34 78.24 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.558 179.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.12 -27.46 54.03 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.669 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . 0.448 ' HB ' ' NE2' ' B' ' 48' ' ' GLN . 0.9 OUTLIER -59.46 -41.5 84.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 C-N-CA 119.717 -0.793 . . . . 0.0 110.205 179.774 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -69.09 -57.14 5.81 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-O 121.486 0.66 . . . . 0.0 110.092 175.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . 0.426 ' HA ' ' CD ' ' B' ' 59' ' ' LYS . 50.4 mttp -65.2 -39.07 92.33 Favored 'General case' 0 C--N 1.307 -1.249 0 CA-C-N 114.796 -1.093 . . . . 0.0 113.83 -174.203 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 76.1 t -62.82 -47.68 91.68 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 177.439 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 58' ' ' MET . . . . . 0.422 ' O ' ' HB2' ' B' ' 62' ' ' ASP . 66.1 ttp -63.64 -47.02 83.02 Favored 'General case' 0 N--CA 1.431 -1.376 0 CA-C-N 114.873 -1.058 . . . . 0.0 110.939 177.529 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . 0.462 ' HG2' ' N ' ' B' ' 60' ' ' GLU . 1.1 ptmt -71.37 -42.68 68.14 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 -176.553 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . 0.462 ' N ' ' HG2' ' B' ' 59' ' ' LYS . 86.8 mt-10 -65.88 -42.66 90.05 Favored 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 119.513 -0.875 . . . . 0.0 109.838 -179.128 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -64.52 -34.8 79.07 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.283 0.563 . . . . 0.0 109.541 173.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.423 ' O ' ' NZ ' ' B' ' 30' ' ' LYS . 23.7 t70 -55.54 -40.0 71.3 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.397 -178.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -64.97 -40.22 94.65 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 -179.283 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.453 ' O ' ' N ' ' B' ' 66' ' ' ASP . 0.2 OUTLIER -61.17 -40.7 94.89 Favored 'General case' 0 CA--C 1.493 -1.241 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 176.717 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . 0.539 ' O ' ' NZ ' ' B' ' 30' ' ' LYS . . . -66.39 57.77 0.18 Allowed Glycine 0 N--CA 1.442 -0.946 0 N-CA-C 109.511 -1.436 . . . . 0.0 109.511 176.126 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' B' ' 64' ' ' ASN . 32.3 t70 -50.72 -29.08 10.42 Favored 'General case' 0 CA--C 1.504 -0.826 0 C-N-CA 123.204 0.601 . . . . 0.0 109.961 -178.393 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -169.81 -45.66 0.03 OUTLIER Glycine 0 C--N 1.307 -1.078 0 N-CA-C 108.914 -1.675 . . . . 0.0 108.914 177.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -110.66 153.36 25.34 Favored 'General case' 0 N--CA 1.437 -1.103 0 CA-C-N 114.341 -0.929 . . . . 0.0 108.514 174.171 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.474 ' N ' ' O ' ' B' ' 28' ' ' LEU . 2.4 p -126.05 129.94 72.24 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.231 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 173.57 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.409 ' CG ' ' N ' ' B' ' 71' ' ' PHE . 0.0 OUTLIER -93.96 177.06 6.11 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.172 -0.611 . . . . 0.0 111.374 -172.66 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.425 ' CE2' HD13 ' B' ' 12' ' ' ILE . 65.3 t80 -61.23 -45.47 94.42 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.624 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . 0.406 ' HG3' HG12 ' A' ' 83' ' ' VAL . 25.6 mt-30 -61.03 -42.94 99.43 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 178.411 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -66.74 -42.09 86.79 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.881 176.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 34.7 t80 -61.12 -48.56 81.06 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.826 179.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . 0.457 HG23 ' N ' ' B' ' 76' ' ' VAL . 20.9 m -63.34 -42.49 96.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 119.994 -0.683 . . . . 0.0 111.884 -177.18 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . 0.457 ' N ' HG23 ' B' ' 75' ' ' VAL . 15.0 p -64.96 -38.67 83.39 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.717 0 C-N-CA 120.49 -0.484 . . . . 0.0 110.25 -179.038 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 62.2 tp -61.37 -48.35 81.69 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.505 179.199 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 21.5 m -69.61 -42.12 80.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 C-N-CA 120.002 -0.679 . . . . 0.0 110.354 177.191 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . 0.518 ' CB ' HG23 ' A' ' 75' ' ' VAL . . . -61.71 -43.55 98.63 Favored 'General case' 0 CA--C 1.507 -0.691 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.95 -179.458 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.34 -48.4 76.85 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.81 -178.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 97.8 mt -63.7 -41.87 98.05 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.725 175.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 18.3 m -61.69 -50.57 71.94 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.789 -178.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 14.6 p -63.76 -43.43 97.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 120.43 -0.508 . . . . 0.0 110.245 178.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.22 -50.99 71.12 Favored 'General case' 0 CA--C 1.515 -0.385 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.056 179.463 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 85' ' ' MET . . . . . 0.455 ' SD ' ' HD1' ' B' ' 44' ' ' PHE . 0.0 OUTLIER -68.27 -48.19 65.69 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.979 179.098 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -63.89 -39.01 93.18 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.297 -176.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -48.87 -33.85 11.45 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.895 177.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -58.16 -44.85 88.14 Favored 'General case' 0 C--O 1.217 -0.611 0 C-N-CA 120.347 -0.541 . . . . 0.0 109.83 177.433 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 . . . . . 0 C--N 1.318 -0.765 0 C-N-CA 120.379 -0.529 . . . . 0.0 110.41 176.642 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 C--O 1.238 0.466 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -59.73 -47.19 86.63 Favored 'General case' 0 CA--C 1.502 -0.869 0 C-N-CA 120.534 -0.467 . . . . 0.0 110.439 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.55 ' N ' HD23 ' A' ' 4' ' ' LEU . 2.4 mm? -62.21 -43.48 98.72 Favored 'General case' 0 C--N 1.306 -1.323 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 -179.398 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 67.5 mt-10 -64.85 -47.43 77.98 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.245 177.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.471 ' O ' ' N ' ' A' ' 10' ' ' THR . 11.7 m -61.09 -43.66 98.55 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.96 176.603 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.67 -48.62 74.74 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 176.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.457 ' HG2' ' O ' ' A' ' 4' ' ' LEU . 97.1 mmm -64.45 -41.52 96.49 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.766 177.118 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -63.07 -36.58 84.07 Favored 'General case' 0 C--O 1.24 0.592 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 177.506 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.471 ' N ' ' O ' ' A' ' 6' ' ' THR . 11.7 m -59.39 -45.46 91.41 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 176.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.501 HD11 ' SD ' ' B' ' 8' ' ' MET . 91.5 mt -62.79 -41.0 99.06 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.745 176.181 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.507 HD12 ' CD1' ' A' ' 71' ' ' PHE . 23.5 mm -62.08 -44.03 98.48 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.631 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.022 178.273 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -59.76 -44.41 93.87 Favored 'General case' 0 C--N 1.317 -0.845 0 C-N-CA 120.13 -0.628 . . . . 0.0 109.916 -177.375 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 76.6 t -64.64 -49.16 81.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 C-N-CA 120.458 -0.497 . . . . 0.0 110.475 175.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -59.88 -47.6 85.11 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.534 0.683 . . . . 0.0 109.793 179.282 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.418 ' N ' ' O ' ' A' ' 12' ' ' ILE . 1.8 t60 -63.5 -45.84 88.83 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 114.99 -1.005 . . . . 0.0 110.105 -179.484 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.31 -50.03 74.23 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.39 179.319 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 -68.17 -36.21 79.26 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 120.515 -0.474 . . . . 0.0 111.073 178.361 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.3 m -54.53 -42.6 71.07 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 108.463 -0.939 . . . . 0.0 108.463 173.27 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.54 -36.94 92.51 Favored Glycine 0 N--CA 1.445 -0.727 0 N-CA-C 110.743 -0.943 . . . . 0.0 110.743 178.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -63.23 -42.12 99.2 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -175.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.578 ' CD ' ' H ' ' A' ' 29' ' ' SER . 0.2 OUTLIER -96.49 -70.04 0.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.066 -0.654 . . . . 0.0 112.395 -174.929 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -172.25 175.53 45.45 Favored Glycine 0 C--N 1.32 -0.33 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 -179.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.8 t70 64.95 147.94 0.03 OUTLIER 'General case' 0 CA--C 1.512 -0.489 0 C-N-CA 122.917 0.487 . . . . 0.0 110.262 -176.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.453 ' HD2' ' CE1' ' A' ' 26' ' ' TYR . 19.4 pttm -61.11 -40.9 95.53 Favored 'General case' 0 C--N 1.31 -1.144 0 C-N-CA 120.51 -0.476 . . . . 0.0 110.395 179.586 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.453 ' CE1' ' HD2' ' A' ' 25' ' ' LYS . 0.1 OUTLIER -152.86 92.63 1.67 Allowed 'General case' 0 C--O 1.242 0.698 0 C-N-CA 120.608 -0.437 . . . . 0.0 111.575 170.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.1 mmmm -152.6 153.06 32.61 Favored 'General case' 0 C--N 1.314 -0.969 0 N-CA-C 106.608 -1.627 . . . . 0.0 106.608 166.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 69' ' ' VAL . 46.1 tp -126.53 132.5 51.35 Favored 'General case' 0 C--N 1.306 -1.304 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 -176.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.578 ' H ' ' CD ' ' A' ' 22' ' ' GLU . 50.8 m -84.03 162.08 20.49 Favored 'General case' 0 C--N 1.311 -1.088 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 179.151 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.494 ' NZ ' ' O ' ' A' ' 64' ' ' ASN . 0.2 OUTLIER -71.43 -5.96 36.71 Favored 'General case' 0 C--N 1.309 -1.173 0 C-N-CA 120.229 -0.588 . . . . 0.0 110.572 -177.019 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.4 ' HG3' ' HB2' ' A' ' 29' ' ' SER . 1.4 pttt -75.29 -64.73 1.0 Allowed 'General case' 0 N--CA 1.473 0.723 0 CA-C-O 120.887 0.375 . . . . 0.0 110.104 179.043 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -61.07 -32.02 71.68 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.304 176.191 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.44 ' C ' ' CD1' ' A' ' 33' ' ' LEU . 3.2 tm? -58.91 -49.1 79.09 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.308 -177.37 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.46 ' NZ ' ' O ' ' A' ' 30' ' ' LYS . 6.2 mttp -65.68 -44.7 85.41 Favored 'General case' 0 CA--C 1.512 -0.483 0 C-N-CA 119.757 -0.777 . . . . 0.0 110.657 178.362 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -68.09 -47.73 67.45 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.878 -174.439 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.75 -41.1 75.65 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 179.713 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -61.74 -47.96 82.89 Favored 'General case' 0 C--O 1.238 0.463 0 C-N-CA 120.249 -0.581 . . . . 0.0 111.106 -176.113 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -65.96 -43.31 88.32 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 119.881 -0.728 . . . . 0.0 109.825 177.417 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 96.1 m -62.36 -50.55 71.13 Favored 'General case' 0 N--CA 1.442 -0.852 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.513 179.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.564 ' CD ' ' HG ' ' B' ' 2' ' ' SER . 64.1 mm-40 -70.88 -39.13 73.0 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 120.512 -0.475 . . . . 0.0 112.126 -176.262 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.1 mp -108.7 33.84 3.99 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -177.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.465 ' O ' ' N ' ' A' ' 46' ' ' ASP . 67.7 m -52.75 -39.75 62.48 Favored 'General case' 0 C--N 1.319 -0.752 0 C-N-CA 120.217 -0.593 . . . . 0.0 110.758 -177.524 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.21 -48.95 64.48 Favored Glycine 0 CA--C 1.529 0.924 0 N-CA-C 111.75 -0.54 . . . . 0.0 111.75 178.076 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.413 ' CD1' ' SD ' ' A' ' 85' ' ' MET . 0.3 OUTLIER -65.47 -42.92 91.76 Favored 'General case' 0 CA--C 1.508 -0.648 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 178.482 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 47.9 tp -62.56 -44.54 96.09 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 114.708 -1.133 . . . . 0.0 111.189 177.166 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.514 ' O ' ' NZ ' ' A' ' 49' ' ' LYS . 22.7 t70 -59.95 -42.6 94.43 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.234 -0.439 . . . . 0.0 112.028 -178.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.63 ' CB ' ' SD ' ' A' ' 85' ' ' MET . . . -61.2 -24.05 66.05 Favored 'General case' 0 C--N 1.311 -1.068 0 N-CA-C 112.659 0.615 . . . . 0.0 112.659 -174.569 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.426 HE22 ' CG2' ' A' ' 54' ' ' VAL . 1.9 pp0? -129.36 37.45 4.01 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 -175.47 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.514 ' NZ ' ' O ' ' A' ' 46' ' ' ASP . 37.1 mtmm -61.04 -37.7 83.53 Favored 'General case' 0 C--O 1.237 0.427 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 177.729 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.405 ' OD1' ' N ' ' A' ' 50' ' ' ASP . 17.7 p-10 -84.81 10.54 11.23 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.489 -1.232 . . . . 0.0 111.413 -176.22 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.422 ' HB ' ' HB2' ' A' ' 48' ' ' GLN . 46.1 t -109.64 132.25 58.34 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 CA-C-O 120.673 0.273 . . . . 0.0 110.356 -175.278 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -58.95 -35.47 73.18 Favored 'General case' 0 CA--C 1.504 -0.813 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.762 -178.398 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -49.28 -27.56 3.92 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.049 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.426 ' CG2' HE22 ' A' ' 48' ' ' GLN . 1.7 p -58.43 -44.47 88.85 Favored 'Isoleucine or valine' 0 C--O 1.242 0.681 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.079 178.641 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.479 ' O ' ' N ' ' A' ' 59' ' ' LYS . 27.4 t70 -64.19 -45.47 88.18 Favored 'General case' 0 CA--C 1.496 -1.129 0 CA-C-O 121.279 0.562 . . . . 0.0 109.598 174.28 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.9 mmtp -62.75 -39.66 94.83 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.574 -174.378 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.406 ' CG1' HD12 ' A' ' 77' ' ' LEU . 93.2 t -59.68 -46.83 92.94 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.985 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 176.377 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 15.3 mmm -64.88 -44.15 90.59 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.283 177.108 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 55' ' ' ASP . 1.0 OUTLIER -66.2 -43.29 87.2 Favored 'General case' 0 N--CA 1.443 -0.803 0 CA-C-N 114.641 -1.163 . . . . 0.0 111.621 -173.678 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -57.24 -43.24 82.74 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 177.426 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.511 ' HG ' ' CD1' ' A' ' 77' ' ' LEU . 1.1 mm? -64.73 -40.01 94.6 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.89 172.167 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.468 ' O ' ' N ' ' A' ' 65' ' ' GLY . 24.7 t70 -64.8 -34.64 78.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.95 -176.571 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -54.14 -38.12 65.14 Favored 'General case' 0 CA--C 1.503 -0.858 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 178.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.494 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . 12.9 t-20 -102.64 35.99 2.31 Favored 'General case' 0 N--CA 1.438 -1.026 0 CA-C-N 115.045 -0.979 . . . . 0.0 109.197 173.059 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . -83.91 7.48 70.28 Favored Glycine 0 C--N 1.319 -0.366 0 N-CA-C 108.623 -1.791 . . . . 0.0 108.623 176.323 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -57.55 -44.71 85.42 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.581 -0.809 . . . . 0.0 110.611 -177.095 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -140.0 -75.11 0.05 OUTLIER Glycine 0 C--O 1.239 0.433 0 N-CA-C 111.6 -0.6 . . . . 0.0 111.6 -179.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -122.78 -178.6 3.98 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.434 0.635 . . . . 0.0 111.557 -176.228 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.495 ' N ' ' O ' ' A' ' 28' ' ' LEU . 1.6 p -128.23 131.89 68.81 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.217 0 N-CA-C 107.507 -1.294 . . . . 0.0 107.507 171.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.85 179.91 5.32 Favored 'General case' 0 C--N 1.318 -0.802 0 C-N-CA 120.294 -0.563 . . . . 0.0 110.627 -178.557 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.507 ' CD1' HD12 ' A' ' 12' ' ' ILE . 40.8 t80 -61.83 -44.09 97.54 Favored 'General case' 0 C--N 1.308 -1.203 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.885 179.651 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.479 ' NE2' ' HB3' ' B' ' 80' ' ' ALA . 78.9 mt-30 -58.22 -44.24 88.09 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 120.285 -0.566 . . . . 0.0 110.691 177.489 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.494 ' CB ' HG21 ' A' ' 69' ' ' VAL . 87.1 mt-10 -65.71 -40.68 92.48 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.295 0.569 . . . . 0.0 109.922 175.312 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -60.74 -47.82 84.56 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.178 -179.234 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.443 HG21 ' CB ' ' B' ' 79' ' ' ALA . 21.1 m -64.03 -43.15 97.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 C-N-CA 119.854 -0.738 . . . . 0.0 111.548 -179.687 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 80' ' ' ALA . 11.3 p -65.38 -34.35 69.88 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.451 0 C-N-CA 119.857 -0.737 . . . . 0.0 109.948 178.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.511 ' CD1' ' HG ' ' A' ' 61' ' ' LEU . 51.0 tp -60.78 -49.34 77.88 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 178.193 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 31.8 m -71.54 -41.52 72.28 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.64 0 C-N-CA 120.184 -0.607 . . . . 0.0 111.033 176.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.11 -38.67 92.1 Favored 'General case' 0 CA--C 1.506 -0.746 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.874 178.568 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.471 ' HB3' HE21 ' B' ' 72' ' ' GLN . . . -57.88 -47.54 82.46 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 -179.404 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 87.5 mt -62.8 -42.55 99.76 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 121.249 0.547 . . . . 0.0 109.58 173.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.9 m -62.27 -50.44 71.67 Favored 'General case' 0 N--CA 1.445 -0.725 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.721 -177.107 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.422 HG12 ' HG3' ' B' ' 72' ' ' GLN . 11.7 p -63.9 -44.13 97.95 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.335 0 C-N-CA 120.039 -0.664 . . . . 0.0 109.908 178.413 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.84 -53.51 57.39 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.998 -179.097 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' MET . . . . . 0.63 ' SD ' ' CB ' ' A' ' 47' ' ' ALA . 16.5 ttp -67.16 -43.93 81.03 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 119.498 -0.881 . . . . 0.0 110.159 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.556 ' ND2' HG13 ' B' ' 12' ' ' ILE . 83.5 m-20 -62.9 -35.37 79.81 Favored 'General case' 0 CA--C 1.502 -0.892 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.076 -178.253 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -45.77 -39.22 7.96 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 176.474 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -63.6 -39.38 94.23 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.761 179.274 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -56.58 -46.57 80.71 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 121.256 0.55 . . . . 0.0 109.891 -178.459 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 23.2 m95 . . . . . 0 C--N 1.302 -1.472 0 CA-C-N 115.227 -0.897 . . . . 0.0 112.518 -173.031 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 2' ' ' SER . . . . . 0.564 ' HG ' ' CD ' ' A' ' 40' ' ' GLU . 6.1 m . . . . . 0 C--O 1.24 0.586 0 CA-C-O 120.512 0.196 . . . . 0.0 111.505 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -49.04 -17.85 0.24 Allowed 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.631 176.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.449 ' O ' ' HG2' ' B' ' 8' ' ' MET . 73.0 mt -60.52 -41.08 93.68 Favored 'General case' 0 N--CA 1.435 -1.216 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 -177.511 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -61.82 -43.09 99.54 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 119.503 -0.879 . . . . 0.0 108.963 178.086 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' THR . . . . . 0.409 ' O ' ' N ' ' B' ' 10' ' ' THR . 6.8 m -62.62 -45.27 93.64 Favored 'General case' 0 N--CA 1.443 -0.8 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 175.782 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.07 -46.3 88.62 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.02 178.361 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' MET . . . . . 0.501 ' SD ' HD11 ' A' ' 11' ' ' LEU . 94.0 mmm -63.29 -41.7 99.01 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.372 -0.531 . . . . 0.0 110.181 178.534 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -62.12 -37.27 84.51 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.358 173.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' THR . . . . . 0.409 ' N ' ' O ' ' B' ' 6' ' ' THR . 7.5 m -60.79 -43.66 97.81 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.428 -0.952 . . . . 0.0 108.428 176.723 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 82.7 mt -62.58 -41.5 98.97 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.949 174.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.556 HG13 ' ND2' ' A' ' 86' ' ' ASN . 14.7 mm -62.3 -43.86 98.52 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.661 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.384 -178.688 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -60.32 -44.78 95.15 Favored 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 120.183 -0.607 . . . . 0.0 110.726 -175.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . 0.414 ' CG2' HD21 ' A' ' 4' ' ' LEU . 89.3 t -65.0 -48.19 85.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 C-N-CA 120.521 -0.472 . . . . 0.0 110.573 176.41 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.483 ' CE1' ' HB2' ' B' ' 28' ' ' LEU . 82.5 t80 -60.68 -47.94 83.99 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.444 0.64 . . . . 0.0 110.04 178.453 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.479 ' ND1' ' O ' ' B' ' 25' ' ' LYS . 6.2 t60 -62.71 -43.72 98.08 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-N 115.142 -0.936 . . . . 0.0 109.507 179.576 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . 0.465 ' O ' ' HG2' ' B' ' 21' ' ' LYS . . . -60.27 -51.17 70.7 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.366 175.457 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.442 ' HA ' ' CG ' ' B' ' 21' ' ' LYS . 72.3 m-70 -65.44 -34.93 79.45 Favored 'General case' 0 CA--C 1.503 -0.859 0 C-N-CA 120.663 -0.415 . . . . 0.0 111.524 177.824 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.449 ' N ' ' O ' ' B' ' 15' ' ' PHE . 43.8 m -56.62 -41.33 76.91 Favored 'General case' 0 N--CA 1.447 -0.588 0 N-CA-C 107.861 -1.163 . . . . 0.0 107.861 173.546 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.72 -41.18 99.04 Favored Glycine 0 N--CA 1.442 -0.901 0 N-CA-C 110.015 -1.234 . . . . 0.0 110.015 174.092 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . 0.465 ' HG2' ' O ' ' B' ' 17' ' ' ALA . 75.6 mmtt -63.27 -43.2 98.61 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 179.577 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -67.0 -41.48 86.63 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.816 176.28 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' B' ' 19' ' ' SER . . . 122.64 28.14 1.48 Allowed Glycine 0 CA--C 1.523 0.556 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.712 176.518 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -133.08 158.17 43.44 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-N 117.075 0.438 . . . . 0.0 111.258 179.143 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.479 ' O ' ' ND1' ' B' ' 16' ' ' HIS . 0.2 OUTLIER -64.58 -46.92 80.66 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 175.434 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.442 ' CD1' ' N ' ' B' ' 26' ' ' TYR . 8.3 p90 -155.16 91.6 1.36 Allowed 'General case' 0 C--O 1.241 0.614 0 CA-C-O 121.325 0.583 . . . . 0.0 111.563 169.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.434 ' O ' ' HA ' ' B' ' 19' ' ' SER . 7.4 mmmm -158.29 153.5 25.61 Favored 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 105.746 -1.946 . . . . 0.0 105.746 167.705 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.483 ' HB2' ' CE1' ' B' ' 15' ' ' PHE . 50.2 tp -129.49 128.8 43.61 Favored 'General case' 0 C--N 1.301 -1.521 0 C-N-CA 119.961 -0.696 . . . . 0.0 110.712 179.542 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 8.2 p -83.71 165.65 18.73 Favored 'General case' 0 C--N 1.308 -1.214 0 CA-C-O 121.003 0.43 . . . . 0.0 111.289 178.337 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -73.19 -4.13 30.99 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.371 -176.223 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.65 -68.06 0.73 Allowed 'General case' 0 N--CA 1.474 0.745 0 CA-C-O 121.454 0.645 . . . . 0.0 110.013 177.342 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.409 ' O ' ' HB3' ' B' ' 36' ' ' LEU . 74.1 mm-40 -56.12 -38.41 70.74 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.008 -0.996 . . . . 0.0 110.176 -179.688 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.4 ' C ' ' CD1' ' B' ' 33' ' ' LEU . 2.4 tm? -59.76 -45.29 92.71 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.31 -174.507 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 49.3 mttp -63.7 -43.89 95.28 Favored 'General case' 0 C--N 1.318 -0.774 0 C-N-CA 119.59 -0.844 . . . . 0.0 109.591 -178.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -65.53 -46.07 81.02 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.256 -0.884 . . . . 0.0 109.123 179.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.409 ' HB3' ' O ' ' B' ' 32' ' ' GLU . 2.6 tp -61.73 -49.58 75.88 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 115.34 -0.846 . . . . 0.0 111.667 176.824 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -63.12 -46.22 88.31 Favored 'General case' 0 C--N 1.317 -0.824 0 C-N-CA 120.808 -0.357 . . . . 0.0 111.384 -176.385 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -66.3 -40.9 90.3 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 119.768 -0.773 . . . . 0.0 110.505 177.406 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 72.4 m -64.43 -54.6 30.09 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.699 -0.682 . . . . 0.0 112.673 -177.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -70.64 -43.18 69.75 Favored 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 112.478 0.547 . . . . 0.0 112.478 -176.208 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 9.4 mp -102.01 35.0 2.49 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.488 -178.108 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.56 -37.85 71.12 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.926 -177.422 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.07 -46.56 64.95 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.676 -0.969 . . . . 0.0 110.676 176.312 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . 0.632 ' HA ' ' SD ' ' B' ' 85' ' ' MET . 51.4 m-85 -63.57 -45.53 90.04 Favored 'General case' 0 CA--C 1.509 -0.615 0 CA-C-O 121.249 0.547 . . . . 0.0 110.161 177.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.5 tp -61.59 -49.28 77.26 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.912 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -64.17 -43.26 95.66 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.373 -178.118 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.59 -46.62 89.08 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.072 -175.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.27 38.19 2.63 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 -174.607 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 30.0 mtmt -63.01 -39.31 94.38 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 175.297 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -82.35 -1.78 50.82 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 113.925 -1.488 . . . . 0.0 110.712 -169.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 16.8 t -90.65 133.05 33.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.76 -0.654 . . . . 0.0 109.716 179.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.534 ' CG ' ' HZ1' ' B' ' 56' ' ' LYS . 32.0 t70 -57.04 -38.02 72.59 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 121.0 0.429 . . . . 0.0 111.089 -177.249 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . 0.4 ' O ' ' N ' ' B' ' 57' ' ' VAL . . . -53.34 -26.33 18.6 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.717 -179.217 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . 0.515 ' O ' ' HG2' ' B' ' 58' ' ' MET . 0.8 OUTLIER -58.76 -45.28 91.3 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 C-N-CA 120.224 -0.59 . . . . 0.0 109.752 179.256 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.461 ' O ' ' N ' ' B' ' 59' ' ' LYS . 34.2 t70 -61.19 -46.46 90.4 Favored 'General case' 0 CA--C 1.489 -1.381 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 174.337 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . 0.534 ' HZ1' ' CG ' ' B' ' 52' ' ' ASP . 34.6 mmtm -61.41 -39.7 91.72 Favored 'General case' 0 N--CA 1.435 -1.195 0 CA-C-N 114.848 -1.069 . . . . 0.0 109.226 -175.398 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . 0.521 ' CG1' HD11 ' B' ' 77' ' ' LEU . 72.3 t -61.06 -48.72 87.77 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.739 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.01 178.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 58' ' ' MET . . . . . 0.544 ' O ' ' N ' ' B' ' 62' ' ' ASP . 9.3 ptm -68.12 -37.36 81.02 Favored 'General case' 0 CA--C 1.518 -0.273 0 C-N-CA 120.192 -0.603 . . . . 0.0 109.944 175.462 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' B' ' 55' ' ' ASP . 3.2 tptm -59.89 -42.88 94.78 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.545 -178.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 74.2 tt0 -61.6 -41.28 97.22 Favored 'General case' 0 C--O 1.241 0.609 0 N-CA-C 108.852 -0.795 . . . . 0.0 108.852 176.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.469 ' O ' ' HB3' ' B' ' 64' ' ' ASN . 2.1 mm? -65.91 -33.37 75.67 Favored 'General case' 0 C--O 1.242 0.701 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.585 172.699 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.544 ' N ' ' O ' ' B' ' 58' ' ' MET . 34.1 t70 -61.67 -38.99 89.84 Favored 'General case' 0 CA--C 1.513 -0.474 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.693 178.144 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -62.59 -42.84 99.8 Favored 'General case' 0 CA--C 1.505 -0.766 0 N-CA-C 107.124 -1.436 . . . . 0.0 107.124 174.052 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.497 ' C ' ' H ' ' B' ' 66' ' ' ASP . 24.6 t-20 -62.43 -7.1 3.95 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 114.103 -1.408 . . . . 0.0 110.114 174.77 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -69.48 9.16 2.6 Favored Glycine 0 CA--C 1.522 0.498 0 N-CA-C 110.206 -1.158 . . . . 0.0 110.206 174.357 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.497 ' H ' ' C ' ' B' ' 64' ' ' ASN . 29.3 t70 -59.4 -40.98 88.34 Favored 'General case' 0 CA--C 1.513 -0.455 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 177.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -147.93 -82.11 0.04 OUTLIER Glycine 0 C--N 1.32 -0.319 0 N-CA-C 110.207 -1.157 . . . . 0.0 110.207 179.038 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -138.17 173.71 11.33 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 123.094 0.558 . . . . 0.0 109.986 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' B' ' 28' ' ' LEU . 0.5 OUTLIER -106.8 124.79 62.67 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.794 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 173.099 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.598 ' CG ' ' N ' ' B' ' 71' ' ' PHE . 0.0 OUTLIER -93.36 178.75 5.62 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.208 -178.801 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.598 ' N ' ' CG ' ' B' ' 70' ' ' ASP . 65.2 t80 -60.53 -45.45 93.8 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.708 -0.397 . . . . 0.0 111.025 -176.693 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . 0.471 HE21 ' HB3' ' A' ' 80' ' ' ALA . 80.5 mt-30 -60.42 -40.87 92.56 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 177.822 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.434 ' OE1' ' HA ' ' B' ' 69' ' ' VAL . 94.3 mt-10 -68.13 -38.96 82.78 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 114.742 -1.117 . . . . 0.0 110.034 178.19 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . 0.466 ' N ' ' O ' ' B' ' 70' ' ' ASP . 25.7 t80 -61.83 -45.96 91.57 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.79 -0.641 . . . . 0.0 112.066 177.347 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . 0.42 HG21 ' N ' ' B' ' 76' ' ' VAL . 25.6 m -64.48 -40.2 88.22 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 C-N-CA 120.146 -0.622 . . . . 0.0 111.694 -176.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . 0.472 ' O ' ' N ' ' B' ' 80' ' ' ALA . 34.7 m -64.44 -38.15 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.787 0 C-N-CA 120.124 -0.63 . . . . 0.0 111.127 179.694 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . 0.521 HD11 ' CG1' ' B' ' 57' ' ' VAL . 49.1 tp -60.96 -48.93 79.55 Favored 'General case' 0 CA--C 1.511 -0.528 0 C-N-CA 120.378 -0.529 . . . . 0.0 110.661 179.359 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 32.7 m -68.9 -41.63 82.11 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.956 0 C-N-CA 119.938 -0.705 . . . . 0.0 110.607 178.151 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . 0.443 ' CB ' HG21 ' A' ' 75' ' ' VAL . . . -61.96 -39.22 91.41 Favored 'General case' 0 CA--C 1.503 -0.832 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.014 176.617 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . 0.479 ' HB3' ' NE2' ' A' ' 72' ' ' GLN . . . -56.31 -49.24 74.87 Favored 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.264 -177.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 85.7 mt -62.95 -41.98 99.67 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-O 121.404 0.621 . . . . 0.0 109.347 174.252 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.44 ' O ' ' N ' ' B' ' 86' ' ' ASN . 8.2 m -62.15 -50.71 70.76 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.525 -177.45 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 12.0 p -63.03 -43.59 99.13 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.47 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -58.4 -50.88 72.09 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.159 177.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 85' ' ' MET . . . . . 0.632 ' SD ' ' HA ' ' B' ' 44' ' ' PHE . 27.1 ttt -68.77 -39.94 79.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.769 178.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . 0.482 ' O ' ' HB2' ' B' ' 89' ' ' PHE . 5.6 m120 -56.52 -31.11 63.8 Favored 'General case' 0 CA--C 1.501 -0.94 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.541 -177.567 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -61.09 -41.18 96.19 Favored 'General case' 0 C--N 1.306 -1.319 0 C-N-CA 119.699 -0.801 . . . . 0.0 108.965 176.427 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -70.72 -42.17 70.94 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.948 175.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . 0.482 ' HB2' ' O ' ' B' ' 86' ' ' ASN . 1.3 m-85 . . . . . 0 N--CA 1.487 1.379 0 C-N-CA 123.645 0.778 . . . . 0.0 112.874 -175.017 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' SER . . . . . 0.403 ' C ' ' N ' ' A' ' 4' ' ' LEU . 4.7 m . . . . . 0 N--CA 1.441 -0.881 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 7' ' ' ALA . 56.0 mp0 -53.7 -23.82 12.71 Favored 'General case' 0 C--N 1.315 -0.925 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 175.741 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.426 ' O ' ' HG2' ' A' ' 8' ' ' MET . 2.3 tp -59.89 -46.68 88.55 Favored 'General case' 0 N--CA 1.435 -1.181 0 CA-C-N 114.407 -1.269 . . . . 0.0 110.252 -178.696 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -67.76 -45.06 76.01 Favored 'General case' 0 CA--C 1.515 -0.368 0 C-N-CA 119.467 -0.893 . . . . 0.0 109.801 177.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.7 m -64.24 -44.64 91.22 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.618 -179.4 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.413 ' N ' ' O ' ' A' ' 3' ' ' GLU . . . -57.36 -42.71 82.59 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-O 120.907 0.384 . . . . 0.0 110.085 -178.68 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.426 ' HG2' ' O ' ' A' ' 4' ' ' LEU . 97.8 mmm -63.12 -42.45 99.53 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.296 -0.562 . . . . 0.0 110.042 178.619 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.43 ' CD ' HD21 ' B' ' 86' ' ' ASN . 61.5 mm-40 -63.54 -37.27 86.68 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-O 121.192 0.52 . . . . 0.0 110.041 174.312 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.3 m -59.68 -44.21 93.72 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 175.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 50.2 mt -63.52 -39.43 94.41 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.838 175.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.544 ' O ' ' N ' ' A' ' 16' ' ' HIS . 20.5 mm -62.02 -43.45 97.65 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.757 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 177.724 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 -59.79 -40.84 89.64 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 120.545 -0.462 . . . . 0.0 110.736 -177.159 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 97.1 t -62.61 -47.32 93.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 174.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.458 ' CE2' ' HB2' ' A' ' 28' ' ' LEU . 48.3 t80 -60.44 -46.85 88.54 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.641 0.734 . . . . 0.0 110.17 177.109 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.544 ' N ' ' O ' ' A' ' 12' ' ' ILE . 1.3 t-80 -58.79 -41.8 87.57 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.026 -0.988 . . . . 0.0 110.505 -176.711 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.09 -49.3 77.42 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.666 179.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.473 ' ND1' ' HB3' ' A' ' 32' ' ' GLU . 93.4 m-70 -66.88 -39.47 87.52 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 112.265 0.469 . . . . 0.0 112.265 -177.512 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 48.8 m -55.59 -41.21 73.05 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 120.062 -0.655 . . . . 0.0 109.591 177.536 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.37 -39.21 97.47 Favored Glycine 0 N--CA 1.453 -0.222 0 N-CA-C 110.443 -1.063 . . . . 0.0 110.443 176.361 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -65.29 -46.37 80.66 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 121.04 -0.264 . . . . 0.0 110.438 179.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.477 ' CD ' ' H ' ' A' ' 29' ' ' SER . 98.8 mt-10 -70.13 -38.79 75.63 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.53 179.696 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 117.54 -9.66 14.72 Favored Glycine 0 N--CA 1.464 0.52 0 C-N-CA 121.371 -0.442 . . . . 0.0 113.436 172.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -70.7 155.3 40.93 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 117.71 0.755 . . . . 0.0 110.365 178.415 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.445 ' NZ ' ' OH ' ' A' ' 26' ' ' TYR . 6.6 mtmt -61.25 -45.6 93.86 Favored 'General case' 0 CA--C 1.487 -1.455 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 178.605 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.445 ' OH ' ' NZ ' ' A' ' 25' ' ' LYS . 0.1 OUTLIER -159.38 94.53 1.18 Allowed 'General case' 0 N--CA 1.432 -1.328 0 CA-C-N 114.876 -1.057 . . . . 0.0 110.624 173.005 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.478 ' HE2' ' HB2' ' A' ' 68' ' ' GLU . 1.9 mmtm -160.39 158.22 29.17 Favored 'General case' 0 C--N 1.314 -0.946 0 C-N-CA 124.299 1.039 . . . . 0.0 108.53 173.269 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.458 ' HB2' ' CE2' ' A' ' 15' ' ' PHE . 52.7 tp -124.78 134.31 52.83 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 173.328 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.477 ' H ' ' CD ' ' A' ' 22' ' ' GLU . 4.2 m -105.2 172.87 6.56 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 -179.686 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.484 ' NZ ' ' O ' ' A' ' 61' ' ' LEU . 1.0 OUTLIER -78.47 -5.11 51.59 Favored 'General case' 0 C--N 1.31 -1.114 0 C-N-CA 119.898 -0.721 . . . . 0.0 111.669 -175.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.416 ' HG3' ' HB2' ' A' ' 29' ' ' SER . 0.1 OUTLIER -65.75 -66.37 0.56 Allowed 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 175.452 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.473 ' HB3' ' ND1' ' A' ' 18' ' ' HIS . 72.8 mm-40 -67.47 -42.69 82.59 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 114.9 -1.045 . . . . 0.0 110.781 179.559 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -60.63 -45.33 94.45 Favored 'General case' 0 CA--C 1.51 -0.574 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.926 -172.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 40.5 mtpt -62.67 -40.18 96.27 Favored 'General case' 0 N--CA 1.441 -0.925 0 C-N-CA 119.854 -0.738 . . . . 0.0 110.136 179.087 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 72.9 mt-10 -68.39 -50.83 50.21 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-O 121.038 0.447 . . . . 0.0 110.541 174.585 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.434 HD13 ' CG ' ' A' ' 40' ' ' GLU . 0.1 OUTLIER -62.97 -44.91 94.75 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 -175.422 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.4 ' N ' ' HG ' ' A' ' 36' ' ' LEU . 3.1 tm? -61.27 -48.02 83.35 Favored 'General case' 0 C--N 1.315 -0.916 0 C-N-CA 119.362 -0.935 . . . . 0.0 110.576 -176.507 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -66.88 -42.8 84.96 Favored 'General case' 0 C--O 1.244 0.773 0 CA-C-O 121.408 0.623 . . . . 0.0 110.605 176.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 94.6 m -64.95 -47.9 75.98 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.58 -0.736 . . . . 0.0 112.514 -179.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.516 ' CD ' ' HG ' ' B' ' 2' ' ' SER . 59.0 mm-40 -79.88 -37.59 34.47 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -175.161 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.3 mp -101.14 31.88 3.47 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-O 120.931 0.396 . . . . 0.0 110.557 -179.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.3 m -51.58 -38.98 56.97 Favored 'General case' 0 C--N 1.308 -1.199 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.509 -177.192 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.32 -49.21 53.68 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 111.677 -0.569 . . . . 0.0 111.677 178.012 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.46 ' CE2' HG23 ' A' ' 82' ' ' THR . 3.6 m-85 -65.18 -42.33 93.73 Favored 'General case' 0 CA--C 1.493 -1.246 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 177.722 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.429 ' O ' ' HB2' ' A' ' 49' ' ' LYS . 40.6 tp -59.04 -47.25 85.92 Favored 'General case' 0 N--CA 1.43 -1.428 0 CA-C-N 114.965 -1.016 . . . . 0.0 110.82 178.003 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -64.81 -42.68 94.8 Favored 'General case' 0 C--N 1.316 -0.851 0 C-N-CA 120.438 -0.505 . . . . 0.0 111.493 174.392 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.57 ' HB1' ' SD ' ' A' ' 85' ' ' MET . . . -58.67 -48.91 79.45 Favored 'General case' 0 C--O 1.239 0.54 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.509 -176.721 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.444 ' HG3' ' O ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -107.02 15.95 24.73 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -178.2 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.429 ' HB2' ' O ' ' A' ' 45' ' ' LEU . 43.8 tttp -55.7 -41.88 74.45 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 179.396 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -60.71 -25.04 66.13 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 114.479 -1.237 . . . . 0.0 111.573 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.47 ' C ' ' H ' ' A' ' 53' ' ' ALA . 51.6 t -64.97 -22.43 31.4 Favored 'Isoleucine or valine' 0 C--O 1.24 0.567 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 -178.163 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.523 ' CG ' ' HZ3' ' A' ' 56' ' ' LYS . 2.8 t70 64.67 -43.0 0.3 Allowed 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.689 -179.259 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.519 ' O ' ' N ' ' A' ' 57' ' ' VAL . . . -52.06 -26.69 11.58 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 179.77 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.406 ' HB ' ' CD2' ' A' ' 81' ' ' LEU . 27.1 m -60.91 -44.83 98.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 115.311 -0.858 . . . . 0.0 110.984 177.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -60.04 -45.84 91.49 Favored 'General case' 0 CA--C 1.5 -0.976 0 CA-C-O 122.203 1.001 . . . . 0.0 108.695 174.416 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.523 ' HZ3' ' CG ' ' A' ' 52' ' ' ASP . 43.7 mttp -63.16 -35.08 79.11 Favored 'General case' 0 C--N 1.294 -1.82 0 CA-C-N 113.862 -1.517 . . . . 0.0 110.858 179.424 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.519 ' N ' ' O ' ' A' ' 53' ' ' ALA . 92.9 t -62.58 -45.61 98.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 172.666 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.479 ' O ' ' N ' ' A' ' 62' ' ' ASP . 57.8 mtt -61.14 -41.39 96.65 Favored 'General case' 0 CA--C 1.498 -1.023 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 177.538 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.0 tptp -62.82 -39.73 95.22 Favored 'General case' 0 C--N 1.302 -1.465 0 CA-C-N 113.683 -1.599 . . . . 0.0 109.161 179.438 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' A' ' 56' ' ' LYS . 38.2 tp10 -59.64 -45.87 90.7 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 176.312 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.484 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . 2.3 mm? -64.03 -38.67 91.92 Favored 'General case' 0 C--O 1.245 0.842 0 CA-C-N 115.362 -0.836 . . . . 0.0 110.173 173.083 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' A' ' 58' ' ' MET . 22.2 t70 -60.49 -34.94 74.78 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.056 -176.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.449 ' C ' ' H ' ' A' ' 65' ' ' GLY . 97.8 mt-10 -53.27 -45.29 68.81 Favored 'General case' 0 CA--C 1.506 -0.74 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 178.322 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.432 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . 16.0 t-20 -79.8 37.33 0.35 Allowed 'General case' 0 C--N 1.311 -1.07 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.45 176.03 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.47 ' HA2' ' CG ' ' A' ' 30' ' ' LYS . . . -93.37 -7.47 61.99 Favored Glycine 0 CA--C 1.51 -0.272 0 N-CA-C 108.979 -1.649 . . . . 0.0 108.979 177.547 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -62.77 -42.1 99.53 Favored 'General case' 0 CA--C 1.503 -0.832 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 172.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -114.62 -155.82 11.26 Favored Glycine 0 N--CA 1.437 -1.29 0 CA-C-N 114.465 -1.243 . . . . 0.0 110.362 178.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.478 ' HB2' ' HE2' ' A' ' 27' ' ' LYS . 1.1 mp0 -90.65 171.06 9.64 Favored 'General case' 0 C--N 1.308 -1.234 0 C-N-CA 122.397 0.279 . . . . 0.0 110.918 -178.737 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.2 p -120.25 128.63 75.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 172.249 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -96.6 -176.94 3.76 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-O 121.131 0.491 . . . . 0.0 110.965 -175.708 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.441 ' CD2' HD13 ' A' ' 12' ' ' ILE . 42.2 t80 -61.22 -43.77 98.35 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.414 179.388 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.408 ' O ' HG21 ' A' ' 75' ' ' VAL . 78.5 mt-30 -59.03 -42.32 89.91 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.321 179.617 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 90.6 mt-10 -69.07 -41.15 77.93 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 119.443 -0.903 . . . . 0.0 110.653 171.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 47.1 t80 -60.41 -48.49 81.54 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.52 -176.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.408 HG21 ' O ' ' A' ' 72' ' ' GLN . 16.9 m -63.39 -43.99 98.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 C-N-CA 120.453 -0.499 . . . . 0.0 112.139 -179.188 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 14.6 p -65.89 -37.5 80.01 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 C-N-CA 120.172 -0.611 . . . . 0.0 110.41 178.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 47.5 tp -60.29 -48.81 80.15 Favored 'General case' 0 CA--C 1.505 -0.763 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.583 179.02 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.546 ' CG2' ' SD ' ' B' ' 8' ' ' MET . 29.9 m -69.54 -40.57 79.79 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.962 0 C-N-CA 119.944 -0.702 . . . . 0.0 110.78 176.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.408 ' CB ' HG21 ' B' ' 75' ' ' VAL . . . -63.34 -42.46 98.93 Favored 'General case' 0 CA--C 1.507 -0.676 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.949 179.209 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.05 -48.57 79.72 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.493 0.663 . . . . 0.0 109.313 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.406 ' CD2' ' HB ' ' A' ' 54' ' ' VAL . 92.3 mt -63.58 -43.61 96.48 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-N 115.014 -0.994 . . . . 0.0 109.557 177.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.46 HG23 ' CE2' ' A' ' 44' ' ' PHE . 22.3 m -64.19 -49.11 73.32 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 112.886 0.699 . . . . 0.0 112.886 178.652 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 12.8 p -61.57 -42.43 94.02 Favored 'Isoleucine or valine' 0 C--O 1.24 0.583 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.742 -174.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -54.79 -52.03 63.9 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.333 178.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' MET . . . . . 0.57 ' SD ' ' HB1' ' A' ' 47' ' ' ALA . 15.3 tpt -68.91 -42.39 76.91 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.605 177.687 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.508 ' CG ' HG23 ' B' ' 12' ' ' ILE . 0.6 OUTLIER -61.71 -32.36 72.57 Favored 'General case' 0 CA--C 1.507 -0.687 0 C-N-CA 119.815 -0.754 . . . . 0.0 111.68 -174.247 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -56.02 -40.62 73.69 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 175.188 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.425 ' HB3' ' O ' ' A' ' 85' ' ' MET . 92.2 t80 -60.0 -45.61 92.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.061 172.591 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 18.7 m-30 -59.22 -43.66 92.31 Favored 'General case' 0 CA--C 1.513 -0.449 0 C-N-CA 120.791 -0.363 . . . . 0.0 110.354 178.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . 0.607 ' CD1' ' N ' ' A' ' 90' ' ' TRP . 9.1 m0 . . . . . 0 C--N 1.317 -0.825 0 C-N-CA 120.121 -0.632 . . . . 0.0 109.669 -179.402 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 2' ' ' SER . . . . . 0.516 ' HG ' ' CD ' ' A' ' 40' ' ' GLU . 75.1 m . . . . . 0 CA--C 1.516 -0.353 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -54.03 -17.73 2.91 Favored 'General case' 0 CA--C 1.516 -0.342 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 174.02 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.422 ' N ' ' C ' ' B' ' 2' ' ' SER . 0.2 OUTLIER -59.05 -42.71 90.93 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 114.385 -1.279 . . . . 0.0 108.113 179.525 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -65.67 -44.39 86.4 Favored 'General case' 0 N--CA 1.442 -0.839 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.891 176.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 7.3 m -61.83 -46.0 91.36 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 121.243 0.544 . . . . 0.0 109.599 178.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.75 -45.78 91.16 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.541 176.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' MET . . . . . 0.546 ' SD ' ' CG2' ' A' ' 78' ' ' VAL . 0.0 OUTLIER -62.2 -43.24 99.28 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 177.812 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . 0.446 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 5.5 mm-40 -61.01 -38.95 87.88 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.782 177.036 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 9.8 m -59.66 -44.47 93.55 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 178.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.92 -41.45 97.94 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 173.758 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.508 HG23 ' CG ' ' A' ' 86' ' ' ASN . 18.5 mm -62.47 -43.67 98.54 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.432 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.156 179.587 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 40.0 m-80 -58.62 -44.12 89.88 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.534 -173.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 94.7 t -64.05 -47.94 88.09 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 C-N-CA 120.054 -0.659 . . . . 0.0 110.324 176.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -59.92 -47.91 83.84 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 177.344 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.434 ' N ' ' O ' ' B' ' 12' ' ' ILE . 1.7 t60 -61.04 -46.41 90.8 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.962 -178.579 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.98 -48.3 78.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.944 0.402 . . . . 0.0 110.341 178.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 75.0 m-70 -71.73 -29.3 64.38 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.203 -0.453 . . . . 0.0 112.052 179.497 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.461 ' HA ' ' O ' ' B' ' 27' ' ' LYS . 52.1 m -52.8 -46.22 67.57 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 -174.08 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.08 -16.28 59.62 Favored Glycine 0 CA--C 1.526 0.761 0 C-N-CA 121.007 -0.616 . . . . 0.0 112.095 -177.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -64.11 -40.04 95.36 Favored 'General case' 0 C--O 1.242 0.706 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 -172.477 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.497 ' HB3' ' HG ' ' B' ' 29' ' ' SER . 0.0 OUTLIER -85.63 -69.79 0.64 Allowed 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 113.928 1.085 . . . . 0.0 113.928 -171.682 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . 0.473 ' H ' ' HG3' ' B' ' 22' ' ' GLU . . . -169.35 -52.65 0.03 OUTLIER Glycine 0 CA--C 1.526 0.731 0 N-CA-C 112.09 -0.404 . . . . 0.0 112.09 -177.513 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -71.8 145.82 48.44 Favored 'General case' 0 CA--C 1.506 -0.728 0 O-C-N 122.387 -0.478 . . . . 0.0 109.956 179.18 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.641 ' NZ ' ' OH ' ' B' ' 26' ' ' TYR . 14.8 mtmm -61.83 -40.71 96.25 Favored 'General case' 0 CA--C 1.489 -1.401 0 C-N-CA 119.587 -0.845 . . . . 0.0 108.88 179.057 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.641 ' OH ' ' NZ ' ' B' ' 25' ' ' LYS . 0.0 OUTLIER -125.22 90.32 3.21 Favored 'General case' 0 N--CA 1.429 -1.494 0 C-N-CA 119.111 -1.035 . . . . 0.0 110.769 179.283 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.461 ' O ' ' HA ' ' B' ' 19' ' ' SER . 5.5 mmtp -165.55 159.06 16.3 Favored 'General case' 0 CA--C 1.491 -1.29 0 CA-C-N 114.274 -1.33 . . . . 0.0 108.685 168.658 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.568 ' O ' ' N ' ' B' ' 69' ' ' VAL . 40.9 tp -124.56 128.07 48.37 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 107.574 -1.269 . . . . 0.0 107.574 169.668 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' SER . . . . . 0.497 ' HG ' ' HB3' ' B' ' 22' ' ' GLU . 0.3 OUTLIER -85.14 159.08 20.22 Favored 'General case' 0 C--N 1.31 -1.121 0 C-N-CA 119.859 -0.736 . . . . 0.0 109.761 -179.734 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.589 ' HG3' ' CA ' ' B' ' 65' ' ' GLY . 31.5 mmtm -74.39 -8.87 57.73 Favored 'General case' 0 CA--C 1.508 -0.672 0 C-N-CA 119.02 -1.072 . . . . 0.0 111.061 -177.643 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 3.4 ptpt -69.05 -47.02 66.41 Favored 'General case' 0 N--CA 1.442 -0.862 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 175.026 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.472 ' O ' ' HB3' ' B' ' 36' ' ' LEU . 69.5 mm-40 -71.33 -37.49 71.72 Favored 'General case' 0 N--CA 1.439 -1.004 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.495 172.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.419 ' CB ' ' HA ' ' B' ' 30' ' ' LYS . 3.1 tm? -58.27 -47.5 83.4 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.987 -172.633 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -64.39 -43.22 95.13 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 118.882 -1.127 . . . . 0.0 110.699 177.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -61.36 -48.63 80.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.409 0.624 . . . . 0.0 109.674 178.161 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.472 ' HB3' ' O ' ' B' ' 32' ' ' GLU . 1.7 tp -62.9 -52.39 63.25 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-N 115.307 -0.86 . . . . 0.0 112.042 177.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.406 HD21 ' HB2' ' B' ' 41' ' ' LEU . 2.6 tm? -63.33 -45.01 93.27 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.375 -175.521 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -65.88 -38.01 87.66 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.169 0.509 . . . . 0.0 110.319 178.261 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 52.2 m -73.11 -61.0 1.97 Allowed 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.311 -0.859 . . . . 0.0 112.364 -175.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -69.97 -42.11 73.56 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.176 0.436 . . . . 0.0 112.176 -172.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.406 ' HB2' HD21 ' B' ' 37' ' ' LEU . 4.1 mp -99.24 32.88 2.58 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.312 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.61 -35.0 67.77 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.589 -178.628 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -64.13 -50.36 60.84 Favored Glycine 0 N--CA 1.446 -0.652 0 N-CA-C 110.408 -1.077 . . . . 0.0 110.408 176.569 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . 0.487 ' CE1' ' HA ' ' B' ' 82' ' ' THR . 46.1 m-85 -62.65 -45.69 91.66 Favored 'General case' 0 CA--C 1.503 -0.837 0 CA-C-O 121.181 0.515 . . . . 0.0 109.762 177.429 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.1 tp -60.5 -48.85 79.95 Favored 'General case' 0 N--CA 1.436 -1.171 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.947 -179.49 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -65.86 -40.68 91.92 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 112.481 0.548 . . . . 0.0 112.481 176.001 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . 0.612 ' CB ' ' SD ' ' B' ' 85' ' ' MET . . . -59.42 -37.09 77.17 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.829 -0.623 . . . . 0.0 112.61 -171.568 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.466 ' NE2' ' O ' ' B' ' 44' ' ' PHE . 0.9 OUTLIER -123.48 37.17 4.47 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 -174.817 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.461 ' HA ' HG13 ' B' ' 54' ' ' VAL . 7.0 mtmp? -62.24 -39.15 91.87 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 107.798 -1.186 . . . . 0.0 107.798 173.651 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -64.38 -23.39 67.27 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 113.919 -1.491 . . . . 0.0 111.151 179.552 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . 0.544 ' C ' ' H ' ' B' ' 53' ' ' ALA . 40.8 t -71.92 -18.4 19.58 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 CA-C-O 120.664 0.269 . . . . 0.0 110.279 -179.689 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 16.1 t70 66.22 -38.34 0.29 Allowed 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.667 -178.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . 0.544 ' H ' ' C ' ' B' ' 51' ' ' VAL . . . -53.54 -26.18 20.06 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.551 -179.318 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . 0.461 HG13 ' HA ' ' B' ' 49' ' ' LYS . 7.6 p -58.23 -43.74 86.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 177.37 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.478 ' O ' ' HB2' ' B' ' 59' ' ' LYS . 9.7 t70 -59.7 -45.17 92.95 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.081 174.108 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . 0.595 ' N ' ' CD ' ' B' ' 56' ' ' LYS . 6.2 mptt -63.56 -42.77 98.34 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.958 -179.651 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . 0.506 HG11 ' CD1' ' B' ' 77' ' ' LEU . 91.7 t -62.06 -45.5 98.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 176.552 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 14.7 mmm -61.05 -41.46 96.64 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 175.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . 0.478 ' HB2' ' O ' ' B' ' 55' ' ' ASP . 0.0 OUTLIER -62.88 -43.18 99.49 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 114.561 -1.2 . . . . 0.0 110.525 -179.665 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -60.34 -41.15 93.0 Favored 'General case' 0 C--N 1.31 -1.128 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 -178.109 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.419 ' O ' ' N ' ' B' ' 65' ' ' GLY . 1.2 mm? -62.78 -34.7 77.8 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.353 176.479 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.403 ' HB2' ' O ' ' B' ' 59' ' ' LYS . 39.3 m-20 -60.97 -34.57 74.97 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.506 178.405 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -57.16 -42.2 80.6 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 -179.412 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.406 ' O ' ' NZ ' ' B' ' 30' ' ' LYS . 42.7 t30 -104.82 20.92 17.87 Favored 'General case' 0 C--N 1.309 -1.193 0 N-CA-C 107.906 -1.146 . . . . 0.0 107.906 175.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . 0.589 ' CA ' ' HG3' ' B' ' 30' ' ' LYS . . . -113.64 30.94 6.89 Favored Glycine 0 N--CA 1.437 -1.241 0 CA-C-N 115.004 -0.998 . . . . 0.0 111.586 -169.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -63.46 -34.38 77.64 Favored 'General case' 0 C--N 1.314 -0.963 0 C-N-CA 119.969 -0.692 . . . . 0.0 109.367 176.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.53 ' O ' ' N ' ' B' ' 30' ' ' LYS . . . -159.27 -58.67 0.01 OUTLIER Glycine 0 C--O 1.223 -0.574 0 C-N-CA 120.226 -0.987 . . . . 0.0 113.425 -178.601 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.512 ' O ' ' NZ ' ' B' ' 30' ' ' LYS . 46.5 mt-10 -95.95 153.78 17.58 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 -171.422 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.568 ' N ' ' O ' ' B' ' 28' ' ' LEU . 2.4 p -144.4 134.16 19.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 168.518 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -98.34 179.85 4.59 Favored 'General case' 0 C--N 1.32 -0.717 0 C-N-CA 120.399 -0.52 . . . . 0.0 110.014 -179.36 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.482 ' CE2' HD12 ' B' ' 12' ' ' ILE . 53.0 t80 -61.85 -44.6 96.49 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.327 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -60.16 -46.16 90.63 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.06 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.406 ' O ' HG11 ' B' ' 76' ' ' VAL . 42.0 tt0 -66.85 -40.18 87.84 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-O 121.669 0.747 . . . . 0.0 109.952 175.105 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -60.08 -47.8 84.35 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.524 179.309 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . 0.499 HG22 ' N ' ' B' ' 76' ' ' VAL . 14.0 m -63.39 -42.32 95.9 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 C-N-CA 119.852 -0.739 . . . . 0.0 111.514 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . 0.499 ' N ' HG22 ' B' ' 75' ' ' VAL . 2.4 p -63.44 -40.89 90.72 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.506 0 C-N-CA 120.353 -0.539 . . . . 0.0 110.818 -178.058 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . 0.506 ' CD1' HG11 ' B' ' 57' ' ' VAL . 44.9 tp -61.06 -50.32 73.79 Favored 'General case' 0 CA--C 1.511 -0.523 0 C-N-CA 120.806 -0.358 . . . . 0.0 111.286 178.81 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 18.4 m -66.68 -42.14 89.16 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.072 0 C-N-CA 119.899 -0.721 . . . . 0.0 110.14 178.361 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.04 -42.45 99.75 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.249 178.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' B' ' 76' ' ' VAL . . . -56.35 -49.12 75.3 Favored 'General case' 0 CA--C 1.513 -0.46 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 -179.424 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 94.4 mt -63.7 -41.75 98.08 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.796 175.332 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.487 ' HA ' ' CE1' ' B' ' 44' ' ' PHE . 21.0 m -61.5 -50.11 74.04 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.077 -178.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 13.4 p -61.13 -43.75 96.93 Favored 'Isoleucine or valine' 0 C--O 1.237 0.43 0 C-N-CA 120.824 -0.351 . . . . 0.0 111.081 -177.167 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -58.74 -52.8 64.14 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 120.261 -0.576 . . . . 0.0 110.759 179.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 85' ' ' MET . . . . . 0.612 ' SD ' ' CB ' ' B' ' 47' ' ' ALA . 33.2 ttp -69.41 -40.19 77.47 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 120.207 -0.597 . . . . 0.0 109.808 178.22 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . 0.495 ' O ' ' N ' ' B' ' 89' ' ' PHE . 20.6 t-20 -60.33 -39.18 86.16 Favored 'General case' 0 CA--C 1.506 -0.729 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.354 -175.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -44.99 -28.74 0.72 Allowed 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.797 -178.325 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -65.09 -37.92 89.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.651 176.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . 0.495 ' N ' ' O ' ' B' ' 86' ' ' ASN . 16.0 m-85 . . . . . 0 N--CA 1.473 0.697 0 CA-C-O 120.91 0.386 . . . . 0.0 111.095 -179.346 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' SER . . . . . 0.435 ' C ' ' N ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.242 0.691 0 CA-C-O 121.071 0.462 . . . . 0.0 111.061 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.476 ' H ' ' CD ' ' A' ' 3' ' ' GLU . 1.9 mp0 -51.66 -19.01 1.36 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.012 -0.994 . . . . 0.0 108.555 173.753 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.435 ' N ' ' C ' ' A' ' 2' ' ' SER . 0.1 OUTLIER -58.19 -49.41 77.14 Favored 'General case' 0 N--CA 1.442 -0.857 0 CA-C-N 114.959 -1.018 . . . . 0.0 109.289 -175.889 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -67.03 -44.48 80.14 Favored 'General case' 0 N--CA 1.44 -0.948 0 C-N-CA 120.334 -0.546 . . . . 0.0 110.228 -179.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.43 ' O ' ' N ' ' A' ' 10' ' ' THR . 12.1 m -61.39 -44.88 96.39 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.167 -0.469 . . . . 0.0 109.949 177.724 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.91 -47.41 77.5 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 178.08 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.434 ' HG2' ' O ' ' A' ' 4' ' ' LEU . 92.2 mmm -65.32 -41.32 94.12 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.279 -0.568 . . . . 0.0 110.365 178.231 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -64.34 -37.95 89.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.03 0.443 . . . . 0.0 109.979 177.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.43 ' N ' ' O ' ' A' ' 6' ' ' THR . 17.0 m -58.1 -44.34 87.6 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 177.305 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.527 HD13 ' SD ' ' B' ' 8' ' ' MET . 81.9 mt -63.02 -40.67 98.45 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.19 174.29 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.473 HD11 ' CD1' ' A' ' 71' ' ' PHE . 21.7 mm -61.78 -43.88 97.94 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.646 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 178.124 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -59.68 -45.76 91.1 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.722 -176.167 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 82.9 t -65.09 -46.55 90.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.005 0.431 . . . . 0.0 110.186 176.358 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -59.13 -49.51 77.6 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.667 0.746 . . . . 0.0 109.331 177.467 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.461 ' N ' ' O ' ' A' ' 12' ' ' ILE . 2.2 t60 -66.13 -41.99 89.72 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 114.678 -1.146 . . . . 0.0 111.318 -177.756 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.84 -45.96 78.26 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 179.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.435 ' HA ' ' HD3' ' A' ' 21' ' ' LYS . 72.6 m-70 -69.33 -32.92 72.34 Favored 'General case' 0 CA--C 1.513 -0.453 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.297 177.514 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.463 ' HB3' ' O ' ' A' ' 25' ' ' LYS . 23.2 m -51.38 -37.61 49.04 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 174.575 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.39 -34.23 88.77 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.072 -0.811 . . . . 0.0 111.072 176.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.435 ' HD3' ' HA ' ' A' ' 18' ' ' HIS . 1.4 mptp? -61.04 -68.19 0.33 Allowed 'General case' 0 C--O 1.233 0.212 0 CA-C-O 120.772 0.32 . . . . 0.0 110.797 -178.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.49 -46.73 88.78 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.276 -177.364 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 101.69 9.01 44.55 Favored Glycine 0 CA--C 1.533 1.175 0 N-CA-C 115.442 0.937 . . . . 0.0 115.442 169.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -59.13 -51.43 70.03 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-N 119.242 1.521 . . . . 0.0 109.4 177.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.487 ' HE2' ' CZ ' ' A' ' 26' ' ' TYR . 20.5 ptmt 160.21 -141.91 0.0 OUTLIER 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 104.431 -2.433 . . . . 0.0 104.431 -178.619 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.487 ' CZ ' ' HE2' ' A' ' 25' ' ' LYS . 18.2 p90 -76.45 92.54 3.41 Favored 'General case' 0 N--CA 1.442 -0.845 0 C-N-CA 117.416 -1.714 . . . . 0.0 109.472 170.633 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.1 mmmm -156.14 166.62 32.92 Favored 'General case' 0 CA--C 1.495 -1.166 0 N-CA-C 107.544 -1.28 . . . . 0.0 107.544 175.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.418 ' HB3' ' O ' ' A' ' 69' ' ' VAL . 43.7 tp -125.99 125.99 43.59 Favored 'General case' 0 N--CA 1.429 -1.492 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 170.415 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.8 p -90.12 157.61 17.68 Favored 'General case' 0 C--N 1.3 -1.562 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 177.039 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.444 ' HG3' ' HA2' ' A' ' 65' ' ' GLY . 2.0 mmmm -68.6 -6.27 24.73 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 119.225 -0.99 . . . . 0.0 109.159 177.246 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -63.86 -44.26 93.66 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 114.585 -1.188 . . . . 0.0 108.364 177.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -99.49 -25.18 14.53 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 113.839 -1.528 . . . . 0.0 111.076 -173.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -60.67 -43.53 97.56 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.045 -175.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.433 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 72.9 mmtt -62.27 -43.88 97.81 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.347 -0.541 . . . . 0.0 109.892 176.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -60.87 -60.23 4.12 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.242 -0.435 . . . . 0.0 112.006 -179.619 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.1 pp -66.51 -40.34 89.14 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 119.692 -0.803 . . . . 0.0 111.816 -175.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -61.77 -46.99 87.2 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.257 -0.577 . . . . 0.0 110.378 -177.246 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.433 ' HG2' ' O ' ' A' ' 34' ' ' LYS . 17.2 pt20 -67.72 -41.47 83.44 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 119.646 -0.822 . . . . 0.0 110.371 175.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 96.1 m -63.99 -52.84 57.72 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.757 -178.212 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.419 ' CD ' ' HG ' ' B' ' 2' ' ' SER . 69.0 mm-40 -76.22 -41.01 50.68 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.036 -0.529 . . . . 0.0 112.323 -171.064 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.4 mp -94.14 45.3 1.13 Allowed 'General case' 0 C--O 1.242 0.681 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.745 -177.201 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -56.24 -37.33 69.6 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.152 -173.832 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.41 -47.33 63.72 Favored Glycine 0 C--O 1.242 0.614 0 N-CA-C 111.65 -0.58 . . . . 0.0 111.65 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.471 ' CD1' ' SD ' ' A' ' 85' ' ' MET . 80.3 m-85 -68.02 -39.15 83.2 Favored 'General case' 0 CA--C 1.501 -0.918 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 177.789 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 50.2 tp -60.64 -44.6 96.19 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.393 176.366 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -59.92 -47.94 83.71 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.511 177.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.48 -38.57 74.39 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.711 179.342 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 81.3 mm-40 -76.03 10.09 2.1 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 -174.095 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 41.2 mttp -64.01 -42.41 97.15 Favored 'General case' 0 C--N 1.313 -1.02 0 N-CA-C 112.508 0.558 . . . . 0.0 112.508 177.177 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -117.73 37.61 3.88 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 -177.104 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.44 ' O ' HG13 ' A' ' 54' ' ' VAL . 74.5 t -115.73 136.07 53.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 -179.161 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -62.19 -37.97 87.33 Favored 'General case' 0 C--O 1.246 0.896 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.426 -175.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.45 -41.11 84.4 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.502 -0.772 . . . . 0.0 112.462 -172.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 58' ' ' MET . 13.0 p -54.93 -42.86 65.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 C-N-CA 120.189 -0.604 . . . . 0.0 110.561 -175.017 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 59' ' ' LYS . 15.4 t70 -58.55 -49.47 77.32 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.954 0.407 . . . . 0.0 110.928 177.508 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 34.5 mmtm -66.36 -43.77 85.07 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.367 -177.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.489 HG11 ' CD1' ' A' ' 77' ' ' LEU . 95.6 t -66.1 -44.56 91.79 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 115.458 -0.792 . . . . 0.0 108.978 178.316 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.448 ' N ' ' O ' ' A' ' 54' ' ' VAL . 53.3 ttp -60.89 -39.12 88.07 Favored 'General case' 0 N--CA 1.431 -1.397 0 CA-C-N 114.61 -1.177 . . . . 0.0 109.615 175.345 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.496 ' O ' ' HG2' ' A' ' 63' ' ' GLU . 0.1 OUTLIER -59.73 -45.15 93.07 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 179.455 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 -61.5 -43.81 98.2 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 123.475 0.484 . . . . 0.0 110.453 -178.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.439 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . 1.3 mm? -62.39 -40.11 95.43 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 175.025 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -61.99 -39.92 93.87 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.468 177.186 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.496 ' HG2' ' O ' ' A' ' 59' ' ' LYS . 73.0 mm-40 -56.16 -40.26 73.61 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 179.231 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -90.92 19.45 5.59 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 114.723 -1.126 . . . . 0.0 110.792 176.54 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.444 ' HA2' ' HG3' ' A' ' 30' ' ' LYS . . . -78.97 -6.09 88.82 Favored Glycine 0 C--O 1.237 0.295 0 N-CA-C 108.548 -1.821 . . . . 0.0 108.548 174.216 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -61.76 -37.7 85.25 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-N 114.704 -0.748 . . . . 0.0 109.048 177.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -133.18 -137.71 3.93 Favored Glycine 0 C--O 1.241 0.535 0 N-CA-C 110.559 -1.016 . . . . 0.0 110.559 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -89.78 171.77 9.39 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 -177.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.462 HG23 ' HB3' ' A' ' 73' ' ' GLU . 0.9 OUTLIER -117.81 126.23 74.67 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 172.44 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.57 -178.08 4.78 Favored 'General case' 0 C--N 1.318 -0.795 0 C-N-CA 120.324 -0.55 . . . . 0.0 110.52 -176.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.473 ' CD1' HD11 ' A' ' 12' ' ' ILE . 44.9 t80 -61.38 -44.76 96.61 Favored 'General case' 0 C--N 1.305 -1.361 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.091 -179.639 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -60.43 -45.09 94.88 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.851 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.462 ' HB3' HG23 ' A' ' 69' ' ' VAL . 61.8 tt0 -65.83 -41.76 91.39 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.476 174.764 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 23.2 t80 -61.43 -48.22 82.17 Favored 'General case' 0 C--O 1.237 0.418 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 178.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 33.4 m -64.38 -39.84 86.96 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 C-N-CA 119.662 -0.815 . . . . 0.0 112.162 -177.494 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.401 ' O ' ' N ' ' A' ' 80' ' ' ALA . 14.4 p -64.38 -35.36 74.01 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.84 0 C-N-CA 119.889 -0.725 . . . . 0.0 110.128 -179.436 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.489 ' CD1' HG11 ' A' ' 57' ' ' VAL . 53.3 tp -60.96 -49.75 76.18 Favored 'General case' 0 CA--C 1.515 -0.398 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.367 178.754 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 14.2 m -70.46 -43.67 77.83 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.668 0 C-N-CA 120.147 -0.621 . . . . 0.0 110.821 177.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.423 ' CB ' ' CG2' ' B' ' 75' ' ' VAL . . . -64.27 -41.96 96.67 Favored 'General case' 0 CA--C 1.511 -0.549 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.565 -179.163 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 76' ' ' VAL . . . -57.89 -48.13 80.77 Favored 'General case' 0 CA--C 1.508 -0.658 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 179.566 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 97.0 mt -62.48 -41.7 98.97 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.371 175.102 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.431 ' HA ' ' CE1' ' A' ' 44' ' ' PHE . 20.6 m -61.3 -52.29 65.34 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.967 179.409 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 12.8 p -64.33 -37.84 81.0 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.468 0 C-N-CA 119.566 -0.853 . . . . 0.0 110.412 178.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -56.18 -57.94 10.05 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.156 177.579 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' MET . . . . . 0.471 ' SD ' ' CD1' ' A' ' 44' ' ' PHE . 80.1 mtp -66.9 -42.94 84.61 Favored 'General case' 0 CA--C 1.515 -0.374 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 176.51 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.472 ' O ' ' N ' ' A' ' 89' ' ' PHE . 7.3 m120 -62.09 -37.12 83.86 Favored 'General case' 0 CA--C 1.501 -0.931 0 C-N-CA 120.744 -0.382 . . . . 0.0 111.061 -176.784 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -49.24 -37.11 22.16 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 120.9 0.381 . . . . 0.0 110.044 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -61.96 -33.42 74.27 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.313 176.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.472 ' N ' ' O ' ' A' ' 86' ' ' ASN . 2.1 m-30 -59.64 -43.62 93.79 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 -176.519 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . 0.594 ' CE3' ' CE1' ' B' ' 16' ' ' HIS . 5.5 m95 . . . . . 0 C--N 1.325 -0.463 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 178.014 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 2' ' ' SER . . . . . 0.419 ' HG ' ' CD ' ' A' ' 40' ' ' GLU . 9.4 m . . . . . 0 C--O 1.244 0.807 0 CA-C-O 121.207 0.527 . . . . 0.0 111.679 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . 0.539 ' H ' ' CD ' ' B' ' 3' ' ' GLU . 1.9 mp0 -53.65 -17.5 2.25 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.905 178.429 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.432 ' O ' ' HG2' ' B' ' 8' ' ' MET . 44.9 mt -60.16 -40.93 91.63 Favored 'General case' 0 CA--C 1.504 -0.823 0 N-CA-C 108.976 -0.749 . . . . 0.0 108.976 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -60.02 -42.54 94.55 Favored 'General case' 0 N--CA 1.442 -0.851 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 177.206 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 8.5 m -63.39 -45.12 92.54 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.743 174.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.05 -45.97 82.8 Favored 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 177.129 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' MET . . . . . 0.527 ' SD ' HD13 ' A' ' 11' ' ' LEU . 92.0 mmm -64.25 -41.98 96.71 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.803 177.487 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' B' ' 13' ' ' ASN . 71.4 mt-10 -63.34 -38.61 91.81 Favored 'General case' 0 C--O 1.222 -0.391 0 C-N-CA 120.073 -0.651 . . . . 0.0 109.267 175.668 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' THR . . . . . 0.402 ' HA ' ' ND2' ' B' ' 13' ' ' ASN . 15.6 m -58.47 -43.72 89.04 Favored 'General case' 0 C--N 1.314 -0.941 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 177.237 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 96.4 mt -62.88 -41.48 99.42 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 174.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 21.5 mm -62.79 -42.73 97.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 177.119 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' B' ' 9' ' ' GLU . 96.6 m-20 -58.52 -45.75 88.18 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 -174.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 85.8 t -64.45 -46.5 92.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 175.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.479 ' CE2' ' HB2' ' B' ' 28' ' ' LEU . 52.2 t80 -58.31 -46.46 86.11 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.316 -0.856 . . . . 0.0 109.823 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.594 ' CE1' ' CE3' ' A' ' 90' ' ' TRP . 1.3 t-80 -55.93 -43.87 77.82 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.559 -178.556 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.76 -49.86 76.07 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.151 -178.111 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.495 ' CD2' HD21 ' B' ' 36' ' ' LEU . 96.7 m-70 -67.5 -39.84 85.19 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.098 -0.501 . . . . 0.0 112.318 -176.553 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 67.3 m -57.43 -42.86 83.21 Favored 'General case' 0 C--O 1.233 0.204 0 C-N-CA 120.094 -0.642 . . . . 0.0 109.634 177.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.33 -42.25 99.73 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 110.406 -1.078 . . . . 0.0 110.406 177.362 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 12.3 mmtp -65.78 -46.06 80.16 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 122.62 -0.341 . . . . 0.0 111.445 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.522 ' OE1' ' N ' ' B' ' 29' ' ' SER . 99.5 mt-10 -69.08 -39.68 78.89 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.429 178.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 118.76 -24.46 8.42 Favored Glycine 0 CA--C 1.523 0.572 0 C-N-CA 121.087 -0.578 . . . . 0.0 113.633 172.376 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -62.8 145.58 54.61 Favored 'General case' 0 CA--C 1.504 -0.815 0 CA-C-N 118.166 0.983 . . . . 0.0 110.079 179.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.463 ' O ' ' CE3' ' A' ' 90' ' ' TRP . 0.0 OUTLIER -53.4 -49.35 67.45 Favored 'General case' 0 N--CA 1.448 -0.57 0 O-C-N 123.297 0.373 . . . . 0.0 110.395 -178.614 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.417 ' CE1' ' HB2' ' B' ' 25' ' ' LYS . 0.1 OUTLIER -153.92 94.28 1.74 Allowed 'General case' 0 C--O 1.241 0.655 0 CA-C-O 121.22 0.533 . . . . 0.0 110.82 171.577 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 5.8 mmtm -158.96 164.03 35.96 Favored 'General case' 0 C--N 1.308 -1.21 0 CA-C-N 114.232 -1.349 . . . . 0.0 108.192 172.528 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.479 ' HB2' ' CE2' ' B' ' 15' ' ' PHE . 47.2 tp -124.51 134.84 52.89 Favored 'General case' 0 C--N 1.298 -1.633 0 N-CA-C 107.747 -1.205 . . . . 0.0 107.747 170.307 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' SER . . . . . 0.522 ' N ' ' OE1' ' B' ' 22' ' ' GLU . 2.0 m -106.1 160.27 15.44 Favored 'General case' 0 C--N 1.305 -1.351 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 -177.263 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.534 ' NZ ' ' O ' ' B' ' 64' ' ' ASN . 3.0 mmmm -68.34 -6.83 26.41 Favored 'General case' 0 C--N 1.319 -0.728 0 C-N-CA 119.993 -0.683 . . . . 0.0 112.253 -173.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.451 ' HD2' ' HG2' ' B' ' 22' ' ' GLU . 0.8 OUTLIER -71.89 -56.86 4.94 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.106 -0.637 . . . . 0.0 110.576 176.848 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.469 ' HB3' ' ND1' ' B' ' 18' ' ' HIS . 69.5 mm-40 -72.08 -42.24 66.42 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-O 120.905 0.384 . . . . 0.0 110.676 176.039 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.402 HD21 ' O ' ' B' ' 33' ' ' LEU . 2.4 tm? -59.5 -46.76 87.89 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -171.125 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 32.8 mtmt -63.29 -43.94 96.44 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 119.063 -1.055 . . . . 0.0 109.596 -179.236 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . 0.431 ' O ' ' HG2' ' B' ' 38' ' ' GLN . 92.2 mt-10 -73.59 -46.33 47.75 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.298 -0.864 . . . . 0.0 111.777 -178.493 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.495 HD21 ' CD2' ' B' ' 18' ' ' HIS . 0.1 OUTLIER -62.83 -42.94 99.94 Favored 'General case' 0 C--N 1.316 -0.863 0 O-C-N 122.239 -0.288 . . . . 0.0 111.761 178.895 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.456 ' N ' ' HG ' ' B' ' 36' ' ' LEU . 2.6 tm? -60.97 -47.95 84.05 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.701 -177.33 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.431 ' HG2' ' O ' ' B' ' 35' ' ' GLU . 6.4 pt20 -64.41 -40.55 96.0 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 121.179 0.514 . . . . 0.0 109.938 176.769 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 29.5 m -63.43 -51.87 63.9 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.902 178.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -70.67 -40.65 72.86 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.162 0.431 . . . . 0.0 112.162 -177.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 11.0 mp -102.09 31.06 4.11 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.247 -176.54 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.405 ' O ' ' N ' ' B' ' 46' ' ' ASP . 68.0 m -53.36 -38.71 63.57 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 120.486 -0.486 . . . . 0.0 110.717 -178.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -63.36 -48.81 75.55 Favored Glycine 0 C--O 1.244 0.765 0 N-CA-C 110.518 -1.033 . . . . 0.0 110.518 176.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . 0.554 ' HA ' ' SD ' ' B' ' 85' ' ' MET . 10.8 m-85 -64.46 -44.37 91.3 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-O 121.089 0.471 . . . . 0.0 110.604 176.324 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.9 tp -61.95 -45.16 94.87 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.966 177.25 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.415 ' HA ' ' NZ ' ' B' ' 49' ' ' LYS . 20.3 t70 -59.91 -44.85 94.04 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.58 -179.036 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . 0.587 ' CB ' ' SD ' ' B' ' 85' ' ' MET . . . -64.85 -24.2 67.47 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-O 121.134 0.492 . . . . 0.0 109.941 173.835 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.498 ' NE2' ' HB ' ' B' ' 54' ' ' VAL . 0.0 OUTLIER -95.07 10.91 33.99 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.679 -0.692 . . . . 0.0 112.783 -176.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.415 ' NZ ' ' HA ' ' B' ' 46' ' ' ASP . 56.7 mttp -58.96 -42.37 89.74 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 119.455 -0.898 . . . . 0.0 111.98 -179.196 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -116.16 35.3 4.57 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 113.183 0.808 . . . . 0.0 113.183 -174.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . 0.497 ' HB ' ' NE2' ' B' ' 48' ' ' GLN . 2.1 t -123.82 122.03 63.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 172.689 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.48 ' OD2' ' NZ ' ' B' ' 56' ' ' LYS . 25.0 t70 -63.55 -8.94 10.93 Favored 'General case' 0 C--O 1.245 0.824 0 N-CA-C 112.742 0.645 . . . . 0.0 112.742 -174.617 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.97 -36.98 85.75 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.073 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . 0.498 ' HB ' ' NE2' ' B' ' 48' ' ' GLN . 11.0 p -59.14 -37.85 70.81 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.504 ' O ' ' N ' ' B' ' 59' ' ' LYS . 17.0 t70 -59.18 -41.69 89.07 Favored 'General case' 0 CA--C 1.505 -0.76 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.615 -179.1 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . 0.48 ' NZ ' ' OD2' ' B' ' 52' ' ' ASP . 23.1 mmtm -63.18 -44.43 95.44 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.354 -176.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . 0.445 HG13 ' CD1' ' B' ' 77' ' ' LEU . 58.0 t -64.58 -44.57 96.79 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.07 0 CA-C-N 115.409 -0.814 . . . . 0.0 108.982 177.757 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 10.4 mmm -60.49 -41.96 95.32 Favored 'General case' 0 CA--C 1.506 -0.73 0 CA-C-N 115.361 -0.836 . . . . 0.0 108.811 176.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . 0.504 ' N ' ' O ' ' B' ' 55' ' ' ASP . 0.0 OUTLIER -60.54 -45.19 94.76 Favored 'General case' 0 N--CA 1.437 -1.101 0 CA-C-N 114.717 -1.129 . . . . 0.0 109.634 -179.619 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -59.33 -47.14 86.53 Favored 'General case' 0 C--O 1.238 0.462 0 O-C-N 123.435 0.459 . . . . 0.0 110.377 178.204 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.405 ' HG ' ' CD1' ' B' ' 77' ' ' LEU . 2.4 mm? -63.62 -39.16 93.66 Favored 'General case' 0 C--N 1.318 -0.794 0 C-N-CA 120.609 -0.436 . . . . 0.0 110.263 175.131 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -59.42 -42.64 92.31 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.933 0.397 . . . . 0.0 110.28 176.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . 0.452 ' HG3' ' O ' ' B' ' 59' ' ' LYS . 85.9 mt-10 -64.0 -37.13 86.28 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 176.162 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.534 ' O ' ' NZ ' ' B' ' 30' ' ' LYS . 2.1 m-20 -82.76 36.84 0.5 Allowed 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.274 -0.876 . . . . 0.0 110.535 173.366 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . 0.445 ' HA2' ' NZ ' ' B' ' 30' ' ' LYS . . . -102.81 17.86 51.63 Favored Glycine 0 C--N 1.32 -0.306 0 N-CA-C 109.644 -1.382 . . . . 0.0 109.644 178.136 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -59.45 -44.19 93.0 Favored 'General case' 0 CA--C 1.506 -0.735 0 CA-C-O 120.939 0.4 . . . . 0.0 110.141 -179.191 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -156.03 -88.35 0.07 OUTLIER Glycine 0 C--N 1.311 -0.826 0 N-CA-C 110.763 -0.935 . . . . 0.0 110.763 179.25 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -110.52 165.83 11.49 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.173 0.511 . . . . 0.0 112.008 -177.465 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.409 ' CG1' ' O ' ' B' ' 28' ' ' LEU . 0.6 OUTLIER -121.79 125.54 73.44 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.096 0 N-CA-C 107.647 -1.242 . . . . 0.0 107.647 170.091 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.531 ' CG ' ' N ' ' B' ' 71' ' ' PHE . 0.7 OUTLIER -92.66 -179.95 5.32 Favored 'General case' 0 C--N 1.311 -1.066 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 -176.512 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.531 ' N ' ' CG ' ' B' ' 70' ' ' ASP . 56.2 t80 -57.79 -41.91 83.08 Favored 'General case' 0 C--N 1.307 -1.276 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 -178.568 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . 0.402 ' O ' HG23 ' B' ' 75' ' ' VAL . 44.9 mt-30 -58.2 -45.73 87.09 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.705 178.724 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.42 ' HA ' HG12 ' B' ' 76' ' ' VAL . 2.1 mp0 -67.57 -38.0 83.44 Favored 'General case' 0 C--O 1.239 0.513 0 C-N-CA 120.152 -0.619 . . . . 0.0 109.856 174.731 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -60.94 -48.01 83.79 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.299 -179.297 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . 0.423 ' CG2' ' CB ' ' A' ' 79' ' ' ALA . 26.9 m -63.93 -41.18 91.67 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 C-N-CA 119.841 -0.744 . . . . 0.0 112.067 -179.634 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . 0.48 ' O ' ' N ' ' B' ' 80' ' ' ALA . 13.1 p -65.44 -37.93 81.24 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.452 0 C-N-CA 120.026 -0.67 . . . . 0.0 110.862 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . 0.445 ' CD1' HG13 ' B' ' 57' ' ' VAL . 41.0 tp -60.67 -49.42 77.6 Favored 'General case' 0 CA--C 1.515 -0.376 0 C-N-CA 120.367 -0.533 . . . . 0.0 111.071 177.385 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 25.1 m -69.16 -43.26 81.71 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 C-N-CA 119.491 -0.884 . . . . 0.0 110.515 177.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.56 -42.21 98.37 Favored 'General case' 0 CA--C 1.51 -0.578 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.35 179.02 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . 0.48 ' N ' ' O ' ' B' ' 76' ' ' VAL . . . -61.36 -44.78 96.6 Favored 'General case' 0 N--CA 1.445 -0.716 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 -179.303 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.415 ' CD1' HD12 ' B' ' 37' ' ' LEU . 92.2 mt -63.21 -41.97 99.21 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 173.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.441 ' O ' ' HB2' ' B' ' 86' ' ' ASN . 14.7 m -61.78 -51.15 69.47 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.8 179.402 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . 0.426 ' O ' ' N ' ' B' ' 87' ' ' ASN . 0.7 OUTLIER -63.65 -42.88 97.58 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.422 178.741 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.76 -50.98 71.41 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.144 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 85' ' ' MET . . . . . 0.587 ' SD ' ' CB ' ' B' ' 47' ' ' ALA . 31.7 ttp -70.9 -42.34 70.09 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.291 -0.564 . . . . 0.0 110.463 178.019 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . 0.441 ' HB2' ' O ' ' B' ' 82' ' ' THR . 3.3 t30 -61.83 -30.8 71.08 Favored 'General case' 0 CA--C 1.506 -0.719 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.035 -179.634 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . 0.469 ' C ' HD21 ' B' ' 87' ' ' ASN . 0.2 OUTLIER -47.76 -43.21 27.14 Favored 'General case' 0 CA--C 1.511 -0.539 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 -179.021 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -69.02 -38.5 79.24 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.239 178.425 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 5.6 m-30 . . . . . 0 CA--C 1.512 -0.508 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 -173.185 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.4 m . . . . . 0 C--O 1.239 0.513 0 N-CA-C 110.154 -0.313 . . . . 0.0 110.154 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.442 ' CD ' ' H ' ' A' ' 3' ' ' GLU . 2.2 mp0 -46.56 -22.66 0.3 Allowed 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.93 0.395 . . . . 0.0 110.171 179.667 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.516 ' HG ' ' HB3' ' B' ' 40' ' ' GLU . 1.0 OUTLIER -60.89 -41.22 95.63 Favored 'General case' 0 CA--C 1.505 -0.779 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.802 -176.134 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -64.95 -42.54 94.54 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 119.037 -1.065 . . . . 0.0 110.095 178.336 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.412 ' O ' ' N ' ' A' ' 10' ' ' THR . 17.1 m -62.23 -46.84 87.08 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 174.106 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.24 -42.59 95.6 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 177.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.517 ' SD ' ' OG1' ' B' ' 82' ' ' THR . 0.3 OUTLIER -63.69 -43.6 96.14 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 177.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -65.19 -37.19 86.54 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.55 176.487 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.412 ' N ' ' O ' ' A' ' 6' ' ' THR . 18.8 m -58.09 -45.25 87.49 Favored 'General case' 0 C--N 1.313 -1.005 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 178.061 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.8 mt -63.06 -41.04 99.37 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.019 172.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.548 ' O ' ' N ' ' A' ' 16' ' ' HIS . 21.5 mm -62.62 -44.27 99.25 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.54 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.213 178.724 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 50.8 m-80 -60.5 -42.88 97.25 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 120.696 -0.401 . . . . 0.0 110.514 -174.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 71.1 t -62.09 -46.62 96.07 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 175.027 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.422 ' CE1' ' HB2' ' A' ' 28' ' ' LEU . 69.1 t80 -60.25 -45.18 94.15 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.542 176.121 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.548 ' N ' ' O ' ' A' ' 12' ' ' ILE . 0.2 OUTLIER -57.26 -49.89 74.62 Favored 'General case' 0 C--O 1.242 0.663 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.17 -179.359 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.83 -50.3 73.99 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.112 -179.04 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -67.6 -36.57 81.1 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.435 -179.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.404 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 48.8 m -56.47 -41.42 76.53 Favored 'General case' 0 CA--C 1.514 -0.406 0 C-N-CA 120.299 -0.56 . . . . 0.0 110.266 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.13 -33.65 86.53 Favored Glycine 0 CA--C 1.522 0.505 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 179.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.4 mmtp -63.82 -76.04 0.07 Allowed 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 -175.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -124.05 -5.31 7.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.958 -0.564 . . . . 0.0 112.321 -171.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.48 ' HA3' ' O ' ' A' ' 27' ' ' LYS . . . -75.04 -111.02 0.09 OUTLIER Glycine 0 CA--C 1.529 0.907 0 N-CA-C 111.771 -0.532 . . . . 0.0 111.771 -176.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -151.1 -151.26 0.38 Allowed 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 178.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -61.84 -45.43 93.83 Favored 'General case' 0 CA--C 1.475 -1.925 0 N-CA-C 106.569 -1.641 . . . . 0.0 106.569 173.049 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -146.46 93.31 2.28 Favored 'General case' 0 N--CA 1.428 -1.535 0 CA-C-N 113.762 -1.563 . . . . 0.0 109.672 170.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.48 ' O ' ' HA3' ' A' ' 23' ' ' GLY . 7.9 mmtm -163.85 159.05 20.66 Favored 'General case' 0 C--N 1.303 -1.447 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 174.356 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.423 ' HB3' HG11 ' A' ' 69' ' ' VAL . 45.6 tp -123.42 131.11 53.55 Favored 'General case' 0 C--N 1.307 -1.269 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 176.532 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.8 p -76.5 157.23 32.32 Favored 'General case' 0 C--O 1.243 0.755 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 178.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.477 ' HZ2' ' C ' ' A' ' 64' ' ' ASN . 8.3 mmmm -77.91 -7.89 57.36 Favored 'General case' 0 C--N 1.318 -0.799 0 C-N-CA 118.805 -1.158 . . . . 0.0 109.005 176.426 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 53.2 mttm -66.35 -50.17 64.45 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 176.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -75.56 -39.38 58.25 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 113.538 -1.664 . . . . 0.0 111.047 178.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -59.41 -44.79 92.77 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.083 -173.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.443 ' HB3' ' NZ ' ' A' ' 34' ' ' LYS . 7.1 mtpm? -62.61 -43.44 98.79 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 120.425 -0.51 . . . . 0.0 110.923 179.419 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -73.4 -52.25 14.45 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.233 0.539 . . . . 0.0 110.148 -177.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.498 ' HG ' ' N ' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -63.35 -43.86 96.49 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 115.906 -0.588 . . . . 0.0 112.456 -176.918 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.498 ' N ' ' HG ' ' A' ' 36' ' ' LEU . 2.9 tm? -61.59 -47.28 86.21 Favored 'General case' 0 CA--C 1.511 -0.556 0 C-N-CA 120.032 -0.667 . . . . 0.0 110.506 -177.419 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -66.35 -41.07 90.06 Favored 'General case' 0 C--N 1.317 -0.834 0 C-N-CA 119.763 -0.775 . . . . 0.0 110.258 178.096 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 98.6 m -63.84 -52.36 60.46 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.67 -179.04 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.406 ' CD ' ' HG ' ' B' ' 2' ' ' SER . 70.9 mm-40 -72.64 -43.01 63.79 Favored 'General case' 0 C--O 1.239 0.504 0 N-CA-C 112.587 0.588 . . . . 0.0 112.587 -173.418 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 45' ' ' LEU . 10.9 mp -96.85 35.37 1.55 Allowed 'General case' 0 CA--C 1.505 -0.766 0 CA-C-O 121.206 0.527 . . . . 0.0 110.567 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.76 -33.99 69.09 Favored 'General case' 0 C--N 1.307 -1.242 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.355 -178.354 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.03 -50.81 43.7 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.565 -0.614 . . . . 0.0 111.565 177.423 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.534 ' HD1' ' SD ' ' A' ' 85' ' ' MET . 21.3 m-85 -70.47 -39.33 74.32 Favored 'General case' 0 CA--C 1.494 -1.193 0 CA-C-O 121.309 0.576 . . . . 0.0 110.163 176.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.485 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 44.5 tp -61.02 -44.83 96.83 Favored 'General case' 0 N--CA 1.427 -1.625 0 CA-C-N 115.23 -0.895 . . . . 0.0 111.463 -178.7 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -55.42 -46.18 76.68 Favored 'General case' 0 CA--C 1.511 -0.52 0 C-N-CA 119.91 -0.716 . . . . 0.0 110.534 -175.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.49 ' HB1' ' SD ' ' A' ' 85' ' ' MET . . . -66.68 -39.46 88.13 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.369 177.725 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.401 ' HG2' ' O ' ' A' ' 44' ' ' PHE . 85.8 mm-40 -76.45 -8.48 57.24 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.658 -0.701 . . . . 0.0 112.336 -177.737 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.485 ' HG3' ' O ' ' A' ' 45' ' ' LEU . 12.9 mtpt -56.99 -38.78 73.52 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 177.25 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -98.03 19.15 14.48 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.043 -176.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 69.9 t -118.91 133.16 66.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 -178.139 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.449 ' CG ' ' HZ1' ' A' ' 56' ' ' LYS . 32.6 t70 -57.54 -34.12 68.82 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.809 -176.627 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.45 -30.47 62.9 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.225 -177.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 1.2 p -58.79 -43.53 88.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 C-N-CA 120.196 -0.602 . . . . 0.0 110.493 -178.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.509 ' O ' ' N ' ' A' ' 59' ' ' LYS . 1.8 t70 -60.14 -55.57 32.18 Favored 'General case' 0 CA--C 1.504 -0.796 0 CA-C-O 121.559 0.695 . . . . 0.0 110.452 175.157 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.449 ' HZ1' ' CG ' ' A' ' 52' ' ' ASP . 46.3 mttp -67.49 -39.93 85.21 Favored 'General case' 0 C--N 1.295 -1.778 0 CA-C-N 114.544 -1.207 . . . . 0.0 113.088 -173.474 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.464 HG12 HD11 ' A' ' 77' ' ' LEU . 52.8 t -63.67 -45.78 96.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 174.809 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.489 ' O ' ' N ' ' A' ' 62' ' ' ASP . 65.1 ttp -62.29 -38.43 89.35 Favored 'General case' 0 N--CA 1.434 -1.261 0 CA-C-N 114.504 -1.225 . . . . 0.0 109.817 174.75 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.509 ' N ' ' O ' ' A' ' 55' ' ' ASP . 0.4 OUTLIER -60.83 -42.04 96.96 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.672 -174.853 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -58.15 -45.67 87.02 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 178.018 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.425 ' HG ' ' CD2' ' A' ' 77' ' ' LEU . 2.6 mm? -64.36 -40.6 96.17 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.273 173.612 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.489 ' N ' ' O ' ' A' ' 58' ' ' MET . 18.3 t0 -60.99 -38.85 87.47 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 -178.12 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.512 ' C ' ' H ' ' A' ' 65' ' ' GLY . 97.2 mt-10 -63.82 -43.17 97.03 Favored 'General case' 0 CA--C 1.502 -0.874 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 173.432 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.477 ' C ' ' HZ2' ' A' ' 30' ' ' LYS . 8.6 t-20 -74.41 36.61 0.1 Allowed 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.28 178.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.512 ' H ' ' C ' ' A' ' 63' ' ' GLU . . . -100.74 -3.7 54.91 Favored Glycine 0 CA--C 1.508 -0.359 0 N-CA-C 109.662 -1.375 . . . . 0.0 109.662 179.633 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -61.54 -40.35 94.37 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.086 -0.557 . . . . 0.0 110.403 -177.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -128.66 -140.9 5.06 Favored Glycine 0 C--N 1.311 -0.849 0 N-CA-C 109.229 -1.548 . . . . 0.0 109.229 176.362 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.432 ' N ' ' CD ' ' A' ' 68' ' ' GLU . 19.4 mp0 -90.64 175.62 6.97 Favored 'General case' 0 C--N 1.309 -1.154 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 176.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.423 HG11 ' HB3' ' A' ' 28' ' ' LEU . 1.9 p -117.94 131.24 71.25 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 174.79 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -94.15 -176.56 4.02 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.168 0.509 . . . . 0.0 110.643 -176.08 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -61.06 -44.62 97.1 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.256 178.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.403 ' O ' HG21 ' A' ' 75' ' ' VAL . 49.0 mt-30 -61.29 -42.25 98.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.59 -179.203 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.403 ' HG3' ' ND2' ' A' ' 64' ' ' ASN . 70.0 mm-40 -70.2 -38.14 75.25 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 121.605 0.717 . . . . 0.0 110.09 174.447 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -61.67 -48.58 80.19 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.873 179.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.403 HG21 ' O ' ' A' ' 72' ' ' GLN . 19.0 m -63.22 -40.7 90.04 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -177.086 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 9.2 p -63.96 -38.75 83.22 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.713 0 C-N-CA 120.364 -0.534 . . . . 0.0 110.574 -179.384 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.464 HD11 HG12 ' A' ' 57' ' ' VAL . 59.3 tp -61.32 -47.81 84.23 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.296 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.46 ' HB ' ' SD ' ' B' ' 8' ' ' MET . 28.2 m -69.66 -42.53 80.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 C-N-CA 120.21 -0.596 . . . . 0.0 111.07 176.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.459 ' CB ' ' CG2' ' B' ' 75' ' ' VAL . . . -63.41 -41.48 98.73 Favored 'General case' 0 CA--C 1.508 -0.641 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.6 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.12 -48.44 80.2 Favored 'General case' 0 N--CA 1.44 -0.937 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.991 -179.164 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 87.5 mt -63.19 -42.0 99.27 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.826 175.51 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 21.0 m -61.98 -51.43 68.1 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.344 -179.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 10.0 p -63.3 -43.38 98.62 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.579 0 C-N-CA 120.093 -0.643 . . . . 0.0 110.539 -179.493 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -53.89 -52.66 59.79 Favored 'General case' 0 N--CA 1.44 -0.927 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.488 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' MET . . . . . 0.534 ' SD ' ' HD1' ' A' ' 44' ' ' PHE . 27.3 ttt -77.03 -44.05 32.28 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 119.638 -0.825 . . . . 0.0 111.921 178.272 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.505 ' OD1' ' NE1' ' A' ' 90' ' ' TRP . 8.3 t-20 -62.47 -40.07 95.45 Favored 'General case' 0 CA--C 1.513 -0.479 0 C-N-CA 120.58 -0.448 . . . . 0.0 111.666 -174.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.507 ' C ' HD21 ' A' ' 87' ' ' ASN . 0.2 OUTLIER -47.39 -32.55 5.03 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.194 179.923 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -63.59 -34.78 78.58 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.871 178.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.431 ' N ' ' O ' ' A' ' 86' ' ' ASN . 55.3 m-85 -61.05 -37.98 84.54 Favored 'General case' 0 CA--C 1.514 -0.426 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 175.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . 0.656 ' CD1' ' N ' ' A' ' 90' ' ' TRP . 2.4 m0 . . . . . 0 C--N 1.317 -0.821 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 179.164 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 2' ' ' SER . . . . . 0.425 ' C ' ' N ' ' B' ' 4' ' ' LEU . 19.0 m . . . . . 0 N--CA 1.449 -0.498 0 CA-C-O 120.746 0.308 . . . . 0.0 110.813 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . 0.531 ' H ' ' CD ' ' B' ' 3' ' ' GLU . 2.7 mp0 -49.62 -18.57 0.46 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.828 177.492 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.425 ' N ' ' C ' ' B' ' 2' ' ' SER . 89.7 mt -61.08 -41.11 96.02 Favored 'General case' 0 N--CA 1.436 -1.135 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 178.054 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -62.77 -43.05 99.81 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 178.116 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 6' ' ' THR . . . . . 0.438 ' O ' ' N ' ' B' ' 10' ' ' THR . 9.8 m -61.19 -45.72 93.43 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.325 174.756 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.49 -47.19 84.91 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.441 176.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' MET . . . . . 0.46 ' SD ' ' HB ' ' A' ' 78' ' ' VAL . 1.8 mtp -63.35 -42.96 98.94 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.148 178.219 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -64.83 -35.82 82.35 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.644 176.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' THR . . . . . 0.438 ' N ' ' O ' ' B' ' 6' ' ' THR . 12.3 m -58.85 -44.34 90.96 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 174.47 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 93.6 mt -63.07 -39.26 94.19 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.157 175.126 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.424 HD13 ' CE2' ' B' ' 71' ' ' PHE . 17.8 mm -61.73 -43.28 96.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.977 -179.092 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -57.7 -44.07 85.61 Favored 'General case' 0 C--N 1.318 -0.791 0 C-N-CA 120.941 -0.304 . . . . 0.0 110.481 -174.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 96.2 t -63.43 -48.68 86.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.386 0.612 . . . . 0.0 109.647 177.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.462 ' CE2' ' HB2' ' B' ' 28' ' ' LEU . 48.1 t80 -61.17 -48.02 83.48 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.671 0.748 . . . . 0.0 110.151 178.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -62.21 -47.34 84.89 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 114.862 -1.063 . . . . 0.0 110.977 -176.314 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.84 -46.19 90.05 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 120.831 0.348 . . . . 0.0 110.642 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 86.5 m-70 -71.24 -26.92 63.12 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.168 -0.469 . . . . 0.0 112.233 -179.434 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 38.6 m -53.56 -42.61 67.71 Favored 'General case' 0 CA--C 1.52 -0.192 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 177.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.48 -41.97 99.74 Favored Glycine 0 CA--C 1.522 0.503 0 CA-C-N 115.928 -0.578 . . . . 0.0 112.077 179.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -65.94 -46.24 78.9 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 -172.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.521 ' C ' ' HG ' ' B' ' 29' ' ' SER . 80.2 mm-40 -142.46 -4.9 0.97 Allowed 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -176.349 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . 0.407 ' HA3' ' O ' ' B' ' 27' ' ' LYS . . . -89.35 176.07 43.15 Favored Glycine 0 C--N 1.308 -1.002 0 N-CA-C 110.491 -1.044 . . . . 0.0 110.491 -175.628 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . 0.535 ' CG ' ' H ' ' B' ' 25' ' ' LYS . 10.5 t70 -75.88 -157.87 0.08 Allowed 'General case' 0 CA--C 1.512 -0.498 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 176.5 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.535 ' H ' ' CG ' ' B' ' 24' ' ' ASP . 0.2 OUTLIER -62.03 -45.63 92.75 Favored 'General case' 0 CA--C 1.488 -1.429 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 177.653 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.537 ' HB3' ' CE3' ' A' ' 90' ' ' TRP . 0.1 OUTLIER -137.79 89.79 2.44 Favored 'General case' 0 N--CA 1.426 -1.655 0 CA-C-N 114.934 -1.03 . . . . 0.0 108.918 170.169 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.467 ' NZ ' ' HB3' ' B' ' 70' ' ' ASP . 0.0 OUTLIER -167.27 164.87 15.43 Favored 'General case' 0 C--N 1.311 -1.085 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 172.722 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.462 ' HB2' ' CE2' ' B' ' 15' ' ' PHE . 53.0 tp -123.51 132.62 53.97 Favored 'General case' 0 C--N 1.304 -1.374 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 174.688 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' SER . . . . . 0.521 ' HG ' ' C ' ' B' ' 22' ' ' GLU . 0.3 OUTLIER -85.97 166.57 15.81 Favored 'General case' 0 C--N 1.308 -1.212 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.849 -177.807 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.406 ' HZ3' ' HA ' ' B' ' 62' ' ' ASP . 7.4 mmmm -76.78 -3.11 36.57 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.719 -176.22 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 32.4 mttt -80.94 -60.05 2.44 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 121.914 0.864 . . . . 0.0 108.873 -179.254 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -64.79 -35.93 82.68 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.063 -1.426 . . . . 0.0 109.581 -178.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.407 ' C ' ' CD1' ' B' ' 33' ' ' LEU . 2.9 tm? -59.27 -43.45 92.48 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.973 -1.012 . . . . 0.0 110.857 -174.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 50.2 mttp -61.22 -42.53 98.75 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -70.95 -50.44 34.55 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.685 -0.689 . . . . 0.0 112.313 -177.157 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 1.1 pp -68.23 -40.82 81.91 Favored 'General case' 0 CA--C 1.509 -0.617 0 C-N-CA 119.758 -0.777 . . . . 0.0 111.676 -178.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -61.32 -47.07 87.62 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.289 -0.564 . . . . 0.0 110.842 -176.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.421 ' HB2' ' CD2' ' B' ' 45' ' ' LEU . 14.5 pt20 -65.42 -42.05 92.91 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 119.826 -0.75 . . . . 0.0 109.977 176.601 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 94.4 m -65.01 -52.67 54.78 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.38 -177.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . 0.516 ' HB3' ' HG ' ' A' ' 4' ' ' LEU . 46.3 mm-40 -69.92 -39.77 75.97 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.816 0.672 . . . . 0.0 112.816 -176.837 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 10.4 mp -107.68 37.13 2.51 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 121.087 0.47 . . . . 0.0 110.407 179.254 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.29 -36.5 73.4 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.371 -176.138 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.52 -51.25 49.76 Favored Glycine 0 C--O 1.246 0.859 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 177.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . 0.442 ' O ' ' N ' ' B' ' 48' ' ' GLN . 19.5 m-85 -66.1 -41.11 91.08 Favored 'General case' 0 CA--C 1.502 -0.886 0 CA-C-O 120.855 0.36 . . . . 0.0 110.087 176.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.462 ' O ' ' HG3' ' B' ' 49' ' ' LYS . 3.0 tp -58.91 -48.11 82.63 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.89 179.536 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -61.6 -42.14 98.44 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.602 179.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.9 -35.25 80.54 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.881 173.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.483 ' NE2' ' HB ' ' B' ' 51' ' ' VAL . 3.2 mm100 -78.5 -11.92 59.98 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.735 -0.666 . . . . 0.0 112.73 -177.198 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.462 ' HG3' ' O ' ' B' ' 45' ' ' LEU . 67.8 mttm -59.33 -39.69 83.94 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 120.798 -0.361 . . . . 0.0 111.876 -175.482 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -89.5 14.12 12.2 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.388 -0.525 . . . . 0.0 111.586 -179.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . 0.483 ' HB ' ' NE2' ' B' ' 48' ' ' GLN . 2.7 t -117.08 126.66 74.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 176.128 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -60.61 -35.44 76.15 Favored 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 120.935 -0.306 . . . . 0.0 111.376 -177.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -45.19 -29.72 1.01 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.416 -177.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 9.9 p -60.21 -42.55 90.72 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 C-N-CA 120.34 -0.544 . . . . 0.0 109.914 179.55 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -60.92 -52.44 65.03 Favored 'General case' 0 CA--C 1.497 -1.085 0 CA-C-O 121.44 0.638 . . . . 0.0 110.315 176.308 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 49.6 mttp -63.72 -42.33 97.93 Favored 'General case' 0 C--N 1.304 -1.396 0 CA-C-N 114.962 -1.017 . . . . 0.0 112.152 -175.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . 0.486 HG11 ' CD1' ' B' ' 77' ' ' LEU . 78.1 t -63.48 -47.25 92.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 178.005 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 65.8 ttp -62.84 -42.49 99.76 Favored 'General case' 0 N--CA 1.432 -1.344 0 CA-C-N 114.845 -1.071 . . . . 0.0 110.623 176.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.05 -41.85 97.25 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.697 -179.152 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 -61.17 -40.8 95.25 Favored 'General case' 0 C--N 1.319 -0.746 0 C-N-CA 119.562 -0.855 . . . . 0.0 109.027 177.253 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.472 ' O ' ' N ' ' B' ' 65' ' ' GLY . 2.6 mm? -63.37 -38.66 92.02 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 171.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.406 ' HA ' ' HZ3' ' B' ' 30' ' ' LYS . 25.4 t70 -60.81 -45.39 94.64 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 177.738 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -68.34 -51.81 40.32 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.898 178.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.482 ' C ' ' H ' ' B' ' 66' ' ' ASP . 9.9 t-20 -69.29 -48.45 61.6 Favored 'General case' 0 CA--C 1.503 -0.833 0 CA-C-O 121.476 0.655 . . . . 0.0 110.348 -177.126 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' B' ' 61' ' ' LEU . . . -77.39 45.98 2.44 Favored Glycine 0 CA--C 1.493 -1.321 0 N-CA-C 108.796 -1.721 . . . . 0.0 108.796 176.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.482 ' H ' ' C ' ' B' ' 64' ' ' ASN . 29.6 t70 -60.99 -33.96 74.05 Favored 'General case' 0 CA--C 1.497 -1.083 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 -178.42 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -108.8 -62.39 0.54 Allowed Glycine 0 C--N 1.312 -0.789 0 N-CA-C 110.058 -1.217 . . . . 0.0 110.058 177.177 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -139.82 169.34 17.89 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 -178.203 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.413 ' CG1' ' O ' ' B' ' 28' ' ' LEU . 1.5 p -122.09 128.08 75.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 174.334 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.467 ' HB3' ' NZ ' ' B' ' 27' ' ' LYS . 0.0 OUTLIER -93.7 -179.94 5.17 Favored 'General case' 0 CA--C 1.515 -0.368 0 C-N-CA 120.708 -0.397 . . . . 0.0 111.06 -179.1 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.424 ' CE2' HD13 ' B' ' 12' ' ' ILE . 58.0 t80 -61.18 -44.62 97.0 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 179.278 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -59.67 -41.09 89.88 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.864 175.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -66.92 -43.52 83.07 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 174.386 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -63.14 -48.85 76.7 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.344 -0.844 . . . . 0.0 112.139 -176.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . 0.459 ' CG2' ' CB ' ' A' ' 79' ' ' ALA . 12.9 m -62.38 -41.0 90.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 C-N-CA 120.386 -0.525 . . . . 0.0 111.95 -177.197 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . 0.459 ' O ' ' N ' ' B' ' 80' ' ' ALA . 14.7 p -64.39 -37.53 80.22 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.788 0 C-N-CA 120.374 -0.53 . . . . 0.0 109.918 178.298 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . 0.486 ' CD1' HG11 ' B' ' 57' ' ' VAL . 54.5 tp -61.54 -49.0 78.46 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.602 179.039 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.446 ' HB ' ' SD ' ' A' ' 8' ' ' MET . 27.1 m -67.95 -43.15 85.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 C-N-CA 119.947 -0.701 . . . . 0.0 110.605 176.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.28 -42.81 99.13 Favored 'General case' 0 CA--C 1.509 -0.608 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.801 179.356 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' B' ' 76' ' ' VAL . . . -59.83 -46.26 89.8 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-O 121.248 0.547 . . . . 0.0 110.011 -178.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 93.1 mt -63.64 -42.56 98.11 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.569 174.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.517 ' OG1' ' SD ' ' A' ' 8' ' ' MET . 20.5 m -63.23 -49.28 74.78 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.657 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . 0.447 HG12 ' O ' ' B' ' 80' ' ' ALA . 11.4 p -61.16 -46.27 96.96 Favored 'Isoleucine or valine' 0 C--O 1.24 0.578 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.732 -177.03 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.74 -50.29 74.4 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.335 179.003 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.5 -44.87 77.44 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.468 0.651 . . . . 0.0 110.526 179.098 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . 0.463 ' N ' ' O ' ' B' ' 82' ' ' THR . 12.5 t-20 -63.36 -39.91 95.83 Favored 'General case' 0 CA--C 1.505 -0.762 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.409 -176.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -45.14 -33.07 2.06 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.087 -176.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -61.97 -37.1 83.49 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.467 176.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . 0.44 ' N ' ' O ' ' B' ' 86' ' ' ASN . 40.4 m-85 . . . . . 0 C--N 1.324 -0.532 0 CA-C-O 120.964 0.411 . . . . 0.0 110.383 177.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m . . . . . 0 CA--C 1.53 0.204 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' A' ' 7' ' ' ALA . 0.4 OUTLIER -58.24 -45.94 86.86 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.573 179.165 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -61.85 -42.91 99.62 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 178.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -65.37 -47.33 76.78 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.078 178.412 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 10' ' ' THR . 10.5 m -63.02 -43.49 98.59 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.441 -0.8 . . . . 0.0 111.208 177.488 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 3' ' ' GLU . . . -53.56 -45.11 69.78 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.512 ' SD ' HD11 ' B' ' 11' ' ' LEU . 95.7 mmm -65.16 -40.06 93.81 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.124 176.722 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -62.9 -37.39 86.77 Favored 'General case' 0 CA--C 1.518 -0.258 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 176.251 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.444 ' N ' ' O ' ' A' ' 6' ' ' THR . 7.8 m -59.45 -44.76 92.89 Favored 'General case' 0 C--N 1.313 -1.021 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 -178.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.45 HD12 ' SD ' ' B' ' 8' ' ' MET . 98.4 mt -62.22 -40.39 95.94 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.404 174.545 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 24.2 mm -62.36 -43.48 98.18 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 179.258 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -60.74 -42.85 98.17 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 75.8 t -64.25 -46.32 93.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.72 175.053 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -58.69 -47.97 82.7 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.636 -179.499 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.477 ' CD2' HD22 ' B' ' 86' ' ' ASN . 3.0 m-70 -65.24 -38.71 91.2 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.732 176.657 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.26 -47.6 78.21 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 177.35 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.521 ' CE1' ' HB2' ' A' ' 36' ' ' LEU . 91.4 m-70 -69.93 -38.13 76.1 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.748 -0.66 . . . . 0.0 112.371 177.174 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 68.3 m -53.6 -40.82 66.03 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-O 121.508 0.67 . . . . 0.0 109.954 -179.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.41 -26.71 69.81 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.632 -0.987 . . . . 0.0 110.632 176.327 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.426 ' HB3' ' O ' ' A' ' 18' ' ' HIS . 0.1 OUTLIER -62.16 -45.28 94.12 Favored 'General case' 0 CA--C 1.515 -0.384 0 N-CA-C 110.735 -0.098 . . . . 0.0 110.735 -177.695 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.448 ' OE1' ' N ' ' A' ' 29' ' ' SER . 3.7 pt-20 -91.32 -11.91 36.58 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-O 120.982 0.42 . . . . 0.0 110.609 178.689 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.25 19.29 53.34 Favored Glycine 0 CA--C 1.527 0.811 0 CA-C-N 115.707 -0.679 . . . . 0.0 112.877 175.26 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -78.22 156.18 29.92 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 117.31 0.555 . . . . 0.0 109.825 176.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.442 ' HE2' ' CZ ' ' A' ' 26' ' ' TYR . 23.5 pttm -60.05 -42.71 95.05 Favored 'General case' 0 CA--C 1.512 -0.484 0 C-N-CA 119.947 -0.701 . . . . 0.0 109.373 173.744 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.442 ' CZ ' ' HE2' ' A' ' 25' ' ' LYS . 11.2 p90 -172.66 93.83 0.12 Allowed 'General case' 0 N--CA 1.446 -0.659 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.577 171.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.0 mmmm -156.35 168.43 27.37 Favored 'General case' 0 C--N 1.311 -1.108 0 N-CA-C 107.145 -1.428 . . . . 0.0 107.145 174.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.45 ' HB3' ' O ' ' A' ' 69' ' ' VAL . 44.0 tp -124.44 129.6 50.95 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 174.625 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.448 ' N ' ' OE1' ' A' ' 22' ' ' GLU . 8.9 p -79.28 156.71 27.95 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.489 ' CD ' ' HB ' ' A' ' 69' ' ' VAL . 5.7 mmtm -75.56 -6.64 51.29 Favored 'General case' 0 CA--C 1.514 -0.41 0 C-N-CA 118.485 -1.286 . . . . 0.0 108.82 176.388 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . 0.252 59.6 mttm -62.49 -46.02 90.36 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 106.958 -1.497 . . . . 0.0 106.958 176.563 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.428 ' O ' ' N ' ' A' ' 36' ' ' LEU . 33.5 mm-40 -88.61 -28.76 20.46 Favored 'General case' 0 N--CA 1.435 -1.214 0 CA-C-N 113.385 -1.734 . . . . 0.0 110.472 -177.407 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.47 ' HB2' HG11 ' A' ' 69' ' ' VAL . 3.3 tm? -57.27 -49.17 76.91 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.543 -0.463 . . . . 0.0 110.456 -173.345 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -66.36 -45.17 81.03 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 120.28 -0.568 . . . . 0.0 111.822 178.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -73.47 -45.37 54.55 Favored 'General case' 0 C--O 1.239 0.525 0 N-CA-C 113.183 0.809 . . . . 0.0 113.183 -178.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.521 ' HB2' ' CE1' ' A' ' 18' ' ' HIS . 0.1 OUTLIER -64.9 -43.71 91.95 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 120.996 0.426 . . . . 0.0 111.733 179.716 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.508 ' N ' ' HG ' ' A' ' 36' ' ' LEU . 2.8 tm? -60.97 -46.35 91.07 Favored 'General case' 0 C--N 1.316 -0.848 0 C-N-CA 120.15 -0.62 . . . . 0.0 110.208 -175.828 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -65.33 -42.29 93.09 Favored 'General case' 0 C--N 1.318 -0.789 0 C-N-CA 120.118 -0.633 . . . . 0.0 110.132 176.158 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 79.3 m -64.53 -53.37 49.07 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.39 -179.355 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.419 ' CD ' HD12 ' A' ' 36' ' ' LEU . 1.6 mp0 -69.58 -39.36 77.36 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -177.412 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 11.1 mp -102.38 36.74 2.06 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-O 120.983 0.421 . . . . 0.0 110.655 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.0 -36.35 72.54 Favored 'General case' 0 C--N 1.306 -1.306 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.761 -176.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -66.36 -48.16 65.7 Favored Glycine 0 CA--C 1.528 0.887 0 N-CA-C 111.465 -0.654 . . . . 0.0 111.465 177.05 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.467 ' HD1' ' SD ' ' A' ' 85' ' ' MET . 20.9 m-85 -66.17 -41.19 90.68 Favored 'General case' 0 CA--C 1.498 -1.047 0 CA-C-O 121.513 0.673 . . . . 0.0 109.46 176.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 42.7 tp -61.16 -44.83 96.7 Favored 'General case' 0 C--N 1.303 -1.421 0 CA-C-N 114.692 -1.14 . . . . 0.0 111.111 177.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -54.55 -43.34 71.9 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.059 0.457 . . . . 0.0 110.26 -178.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.14 -24.22 67.61 Favored 'General case' 0 C--O 1.242 0.684 0 CA-C-N 115.353 -0.84 . . . . 0.0 112.245 -178.178 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.428 HE21 ' C ' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -142.22 44.67 1.66 Allowed 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -175.608 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.0 mtpt -63.68 -39.25 93.86 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.84 0.352 . . . . 0.0 110.408 178.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -109.43 36.07 3.08 Favored 'General case' 0 C--O 1.24 0.582 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.182 -177.013 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 54.1 t -112.08 133.78 56.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.522 ' CG ' ' HZ1' ' A' ' 56' ' ' LYS . 32.4 t70 -56.31 -35.67 67.81 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.895 -173.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.22 -41.27 60.17 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.614 -177.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 13.1 p -63.15 -40.68 89.96 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 C-N-CA 120.005 -0.678 . . . . 0.0 110.651 178.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.558 ' HA ' ' SD ' ' A' ' 58' ' ' MET . 31.8 t70 -62.49 -43.67 98.25 Favored 'General case' 0 CA--C 1.494 -1.204 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 175.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.522 ' HZ1' ' CG ' ' A' ' 52' ' ' ASP . 36.7 mmtm -69.07 -47.89 64.11 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.172 -176.681 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 76.8 t -64.3 -47.27 90.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.043 0.449 . . . . 0.0 110.798 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.558 ' SD ' ' HA ' ' A' ' 55' ' ' ASP . 7.2 ptm -61.6 -28.65 69.51 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.091 0.472 . . . . 0.0 110.53 178.091 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.511 ' HB2' ' O ' ' A' ' 55' ' ' ASP . 0.0 OUTLIER -60.98 -47.18 87.66 Favored 'General case' 0 C--O 1.217 -0.621 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.766 -177.726 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 76.4 tt0 -61.16 -41.27 96.48 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 119.956 -0.698 . . . . 0.0 109.142 -178.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.403 ' N ' ' CD2' ' A' ' 61' ' ' LEU . 2.9 mm? -62.17 -42.07 98.92 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.441 174.292 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -65.2 -43.88 90.14 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.304 177.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -62.45 -42.57 99.56 Favored 'General case' 0 CA--C 1.5 -0.947 0 N-CA-C 108.49 -0.929 . . . . 0.0 108.49 175.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.506 ' C ' ' H ' ' A' ' 66' ' ' ASP . 9.6 t-20 -80.9 14.24 2.3 Favored 'General case' 0 C--N 1.308 -1.215 0 CA-C-N 115.032 -0.985 . . . . 0.0 109.807 177.088 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.46 ' HA2' ' HG3' ' A' ' 30' ' ' LYS . . . -80.95 32.41 2.47 Favored Glycine 0 C--O 1.228 -0.219 0 N-CA-C 109.492 -1.443 . . . . 0.0 109.492 176.441 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.506 ' H ' ' C ' ' A' ' 64' ' ' ASN . 31.8 t70 -59.82 -41.1 90.55 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 123.281 0.632 . . . . 0.0 110.406 -178.721 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -146.5 -75.16 0.02 OUTLIER Glycine 0 C--N 1.317 -0.503 0 N-CA-C 110.659 -0.977 . . . . 0.0 110.659 179.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.48 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . 4.5 mp0 -123.12 -174.95 3.06 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.021 0.439 . . . . 0.0 110.421 -179.389 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.489 ' HB ' ' CD ' ' A' ' 30' ' ' LYS . 1.9 p -127.94 129.24 69.7 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.174 0 N-CA-C 107.023 -1.473 . . . . 0.0 107.023 168.349 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.598 ' CG ' ' N ' ' A' ' 71' ' ' PHE . 1.0 OUTLIER -98.06 177.2 5.49 Favored 'General case' 0 C--N 1.302 -1.467 0 C-N-CA 120.353 -0.539 . . . . 0.0 110.03 -178.493 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.598 ' N ' ' CG ' ' A' ' 70' ' ' ASP . 47.4 t80 -58.12 -42.1 85.06 Favored 'General case' 0 C--N 1.31 -1.152 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 -178.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -60.81 -41.95 96.7 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.213 178.52 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 77.6 mt-10 -68.16 -40.28 82.37 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 119.741 -0.784 . . . . 0.0 109.387 173.395 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -61.86 -47.56 84.49 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.17 -0.923 . . . . 0.0 112.327 -176.069 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 16.6 m -64.88 -40.68 89.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 C-N-CA 120.527 -0.469 . . . . 0.0 111.988 -177.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 33.3 m -64.69 -39.9 87.21 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.825 0 C-N-CA 120.641 -0.424 . . . . 0.0 110.792 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 59.2 tp -61.46 -48.95 78.77 Favored 'General case' 0 CA--C 1.509 -0.625 0 CA-C-O 120.89 0.376 . . . . 0.0 109.994 -179.463 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 8.2 m -68.59 -43.29 83.58 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.044 0 C-N-CA 120.082 -0.647 . . . . 0.0 110.4 177.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.22 -47.75 83.02 Favored 'General case' 0 CA--C 1.511 -0.526 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.419 179.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.92 -46.86 84.35 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.437 ' CD1' HD12 ' A' ' 37' ' ' LEU . 96.2 mt -63.46 -41.93 98.61 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.825 175.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 97.7 m -60.94 -51.03 71.01 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.201 -177.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 14.7 p -63.82 -43.08 97.77 Favored 'Isoleucine or valine' 0 C--O 1.237 0.407 0 C-N-CA 120.148 -0.621 . . . . 0.0 110.229 179.21 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.56 -50.32 73.49 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 120.424 -0.511 . . . . 0.0 109.809 177.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' MET . . . . . 0.467 ' SD ' ' HD1' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -66.63 -44.62 81.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.892 0.377 . . . . 0.0 111.101 177.415 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.413 ' O ' ' HB2' ' A' ' 89' ' ' PHE . 9.0 m120 -65.11 -21.4 66.79 Favored 'General case' 0 CA--C 1.511 -0.543 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.578 -177.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -57.88 -39.61 78.25 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 175.095 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -63.42 -35.11 79.32 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.19 177.194 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.413 ' HB2' ' O ' ' A' ' 86' ' ' ASN . 7.7 m-85 -55.84 -48.32 75.71 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 119.982 -0.687 . . . . 0.0 109.856 -179.061 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . 0.513 ' NE1' ' CE1' ' B' ' 16' ' ' HIS . 29.2 m95 . . . . . 0 C--N 1.314 -0.964 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.986 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 4.3 m . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -57.89 -32.53 67.81 Favored 'General case' 0 CA--C 1.509 -0.633 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 178.529 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.406 ' O ' ' HG2' ' B' ' 8' ' ' MET . 0.4 OUTLIER -60.48 -42.18 95.75 Favored 'General case' 0 CA--C 1.506 -0.737 0 N-CA-C 107.821 -1.177 . . . . 0.0 107.821 177.303 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -63.73 -41.91 97.99 Favored 'General case' 0 N--CA 1.436 -1.164 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.079 177.415 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 6' ' ' THR . . . . . 0.443 ' O ' ' N ' ' B' ' 10' ' ' THR . 7.5 m -60.46 -45.41 93.78 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 174.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.1 -45.71 90.16 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.915 178.381 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' MET . . . . . 0.45 ' SD ' HD12 ' A' ' 11' ' ' LEU . 95.5 mmm -64.4 -39.82 94.6 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.549 -0.461 . . . . 0.0 110.206 177.613 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 64.2 mt-10 -63.13 -37.77 88.54 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 120.207 -0.597 . . . . 0.0 109.418 173.238 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' THR . . . . . 0.443 ' N ' ' O ' ' B' ' 6' ' ' THR . 7.2 m -59.25 -44.32 92.38 Favored 'General case' 0 N--CA 1.445 -0.717 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 178.549 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.512 HD11 ' SD ' ' A' ' 8' ' ' MET . 95.3 mt -63.01 -41.94 99.7 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.997 174.448 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.562 HG21 ' CD2' ' B' ' 16' ' ' HIS . 15.4 mm -62.21 -44.15 98.75 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 179.483 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 24.7 m-80 -61.37 -43.87 98.14 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.368 -178.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 56.9 t -66.24 -48.04 82.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 C-N-CA 120.34 -0.544 . . . . 0.0 110.362 175.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.505 ' CE2' ' CB ' ' B' ' 28' ' ' LEU . 56.8 t80 -59.13 -48.6 81.01 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.599 -179.061 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.562 ' CD2' HG21 ' B' ' 12' ' ' ILE . 12.5 m-70 -67.9 -35.02 77.75 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.853 -177.755 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.37 -45.73 93.18 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.854 179.692 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 89.6 m-70 -65.56 -29.69 70.34 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.029 179.274 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.5 ' HB3' ' O ' ' B' ' 25' ' ' LYS . 14.7 m -49.86 -31.32 11.72 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.364 -177.133 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -54.45 -32.75 52.9 Favored Glycine 0 C--N 1.32 -0.325 0 N-CA-C 110.258 -1.137 . . . . 0.0 110.258 179.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . 0.43 ' HZ2' ' CD ' ' B' ' 32' ' ' GLU . 0.2 OUTLIER -63.31 -45.08 93.01 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.108 176.006 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.491 ' HB2' ' HG ' ' B' ' 29' ' ' SER . 70.6 tt0 -70.74 -44.91 65.81 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 121.027 0.441 . . . . 0.0 111.6 176.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.64 -3.85 62.4 Favored Glycine 0 CA--C 1.537 1.41 0 CA-C-N 116.079 -0.509 . . . . 0.0 113.501 177.031 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 54.9 t0 -58.38 -51.33 70.27 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 178.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.5 ' O ' ' HB3' ' B' ' 19' ' ' SER . 55.9 pttt 164.16 -128.46 0.0 OUTLIER 'General case' 0 C--N 1.309 -1.176 0 C-N-CA 126.134 1.774 . . . . 0.0 106.912 174.771 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.537 ' CB ' ' CE1' ' B' ' 16' ' ' HIS . 0.9 OUTLIER -74.92 92.2 2.54 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 118.263 -1.375 . . . . 0.0 108.109 170.315 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.434 ' O ' ' HA ' ' B' ' 19' ' ' SER . 4.7 mmmm -153.94 162.44 41.22 Favored 'General case' 0 CA--C 1.507 -0.688 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.803 -175.196 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.505 ' CB ' ' CE2' ' B' ' 15' ' ' PHE . 44.2 tp -135.27 134.67 40.2 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-O 121.293 0.568 . . . . 0.0 110.598 172.645 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' SER . . . . . 0.491 ' HG ' ' HB2' ' B' ' 22' ' ' GLU . 0.2 OUTLIER -110.57 169.3 8.84 Favored 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 176.122 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.452 ' O ' ' NZ ' ' B' ' 34' ' ' LYS . 0.1 OUTLIER -64.31 -3.48 2.91 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-O 121.07 0.462 . . . . 0.0 111.062 -176.552 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.522 ' O ' ' NZ ' ' B' ' 34' ' ' LYS . 41.5 mttm -60.76 -71.84 0.13 Allowed 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 179.371 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.43 ' CD ' ' HZ2' ' B' ' 21' ' ' LYS . 36.7 mm-40 -75.71 -39.99 56.45 Favored 'General case' 0 N--CA 1.441 -0.876 0 CA-C-N 114.148 -1.387 . . . . 0.0 111.772 -177.626 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -44.29 -57.5 3.45 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 116.146 -0.479 . . . . 0.0 112.107 -171.101 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.522 ' NZ ' ' O ' ' B' ' 31' ' ' LYS . 23.0 pttm -61.53 -46.56 89.44 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-O 120.91 0.386 . . . . 0.0 111.63 -178.265 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -67.97 -45.49 74.05 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.999 0.428 . . . . 0.0 111.093 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.442 ' HG ' ' N ' ' B' ' 37' ' ' LEU . 0.1 OUTLIER -63.82 -43.49 96.06 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.021 -0.536 . . . . 0.0 112.304 177.728 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.442 ' N ' ' HG ' ' B' ' 36' ' ' LEU . 2.8 tm? -61.18 -47.71 84.93 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 120.646 -0.422 . . . . 0.0 111.303 -176.072 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.436 ' HG3' ' N ' ' B' ' 39' ' ' THR . 15.4 pt20 -64.76 -40.58 95.53 Favored 'General case' 0 C--N 1.315 -0.896 0 C-N-CA 119.869 -0.732 . . . . 0.0 109.669 177.729 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.436 ' N ' ' HG3' ' B' ' 38' ' ' GLN . 96.6 m -62.61 -51.98 65.19 Favored 'General case' 0 N--CA 1.441 -0.911 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.272 -177.798 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -73.17 -41.24 64.1 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.419 -0.512 . . . . 0.0 111.931 -176.401 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 9.8 mp -102.69 30.5 4.66 Favored 'General case' 0 C--O 1.238 0.473 0 N-CA-C 112.497 0.555 . . . . 0.0 112.497 -176.357 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 23.2 m -51.97 -38.79 57.88 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 120.429 -0.508 . . . . 0.0 109.902 178.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -62.35 -50.7 62.39 Favored Glycine 0 N--CA 1.453 -0.183 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 178.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . 0.506 ' CE2' ' HA ' ' B' ' 82' ' ' THR . 19.3 m-85 -62.41 -45.79 91.53 Favored 'General case' 0 CA--C 1.509 -0.617 0 CA-C-O 121.084 0.468 . . . . 0.0 110.097 176.575 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.7 tp -61.04 -48.74 80.38 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.088 178.192 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -65.76 -41.45 92.07 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-O 120.68 0.276 . . . . 0.0 111.602 176.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . 0.486 ' CB ' ' SD ' ' B' ' 85' ' ' MET . . . -63.52 -41.66 98.49 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.873 -176.454 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.94 30.28 7.34 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.856 0.36 . . . . 0.0 111.196 -177.749 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 59.0 tttp -61.48 -42.7 99.18 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.345 -176.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -64.54 -27.96 69.32 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.007 -177.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 58.5 t -63.74 130.5 28.66 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 -176.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.499 ' CG ' ' HZ2' ' B' ' 56' ' ' LYS . 37.4 t70 -60.72 -36.68 79.44 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.027 -178.331 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . 0.4 ' O ' HG21 ' B' ' 57' ' ' VAL . . . -53.6 -28.36 31.97 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.297 179.6 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . 0.463 ' CG1' ' N ' ' B' ' 55' ' ' ASP . 0.3 OUTLIER -59.15 -47.49 90.01 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 C-N-CA 119.929 -0.709 . . . . 0.0 109.149 178.296 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.463 ' N ' ' CG1' ' B' ' 54' ' ' VAL . 28.5 t70 -63.82 -44.95 91.7 Favored 'General case' 0 CA--C 1.492 -1.281 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 175.497 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . 0.499 ' HZ2' ' CG ' ' B' ' 52' ' ' ASP . 41.6 mmtm -63.59 -42.33 98.28 Favored 'General case' 0 N--CA 1.437 -1.125 0 CA-C-N 115.106 -0.952 . . . . 0.0 111.19 -172.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . 0.438 HG13 ' CD1' ' B' ' 77' ' ' LEU . 98.2 t -61.05 -45.7 98.07 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 C-N-CA 119.39 -0.924 . . . . 0.0 108.879 176.018 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 13.2 mmm -61.12 -42.49 98.64 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 177.142 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' B' ' 55' ' ' ASP . 1.1 tppm? -65.36 -44.93 86.08 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.138 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . 0.406 ' HG3' ' O ' ' B' ' 56' ' ' LYS . 96.2 mt-10 -66.31 -40.92 90.27 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.321 -178.674 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -76.92 -7.81 56.23 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.983 -177.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -63.59 -35.65 81.2 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 173.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -61.81 -37.74 85.52 Favored 'General case' 0 CA--C 1.508 -0.642 0 CA-C-N 115.342 -0.844 . . . . 0.0 109.708 177.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.575 ' C ' ' H ' ' B' ' 66' ' ' ASP . 12.2 m120 -62.72 -14.59 46.14 Favored 'General case' 0 C--N 1.308 -1.218 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.511 -179.339 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . 0.421 ' N ' ' HE3' ' B' ' 30' ' ' LYS . . . -73.14 29.69 0.8 Allowed Glycine 0 CA--C 1.527 0.791 0 N-CA-C 110.226 -1.15 . . . . 0.0 110.226 173.279 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.575 ' H ' ' C ' ' B' ' 64' ' ' ASN . 24.2 t70 -60.12 -40.45 89.78 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-O 121.335 0.588 . . . . 0.0 109.761 -179.417 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -151.88 -59.76 0.01 OUTLIER Glycine 0 C--N 1.316 -0.582 0 N-CA-C 108.795 -1.722 . . . . 0.0 108.795 175.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -136.45 173.47 11.67 Favored 'General case' 0 C--N 1.315 -0.892 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 173.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.5 p -120.79 124.17 71.8 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.988 0 N-CA-C 107.805 -1.184 . . . . 0.0 107.805 172.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.12 -178.52 5.0 Favored 'General case' 0 C--N 1.316 -0.879 0 C-N-CA 119.592 -0.843 . . . . 0.0 111.746 -174.035 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -60.05 -44.23 94.83 Favored 'General case' 0 C--N 1.308 -1.197 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.457 -178.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.45 -44.46 89.24 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.33 178.332 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.423 ' CD ' ' ND2' ' B' ' 64' ' ' ASN . 97.3 mt-10 -69.85 -35.82 75.04 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.407 0.622 . . . . 0.0 110.768 176.546 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 30.4 t80 -60.98 -46.04 92.33 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.492 177.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 35.8 m -64.57 -38.15 81.89 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.326 0 C-N-CA 120.403 -0.519 . . . . 0.0 112.079 -176.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 26.9 m -63.6 -38.89 83.44 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.635 0 C-N-CA 120.096 -0.642 . . . . 0.0 111.083 -179.453 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . 0.438 ' CD1' HG13 ' B' ' 57' ' ' VAL . 44.5 tp -61.32 -48.15 82.67 Favored 'General case' 0 CA--C 1.515 -0.377 0 C-N-CA 120.491 -0.483 . . . . 0.0 110.542 179.742 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 34.7 m -69.89 -45.42 76.98 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 C-N-CA 119.849 -0.74 . . . . 0.0 110.685 174.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.07 -46.62 88.3 Favored 'General case' 0 CA--C 1.509 -0.616 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -178.334 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.62 -41.65 90.9 Favored 'General case' 0 N--CA 1.446 -0.647 0 C-N-CA 120.31 -0.556 . . . . 0.0 109.631 -177.365 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 96.5 mt -65.13 -41.39 94.86 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.423 0.63 . . . . 0.0 109.469 173.019 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.506 ' HA ' ' CE2' ' B' ' 44' ' ' PHE . 21.1 m -61.35 -50.2 73.87 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.682 -178.494 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 14.8 p -63.55 -42.16 95.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 C-N-CA 120.376 -0.529 . . . . 0.0 109.793 178.128 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.48 -52.63 64.62 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.36 178.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 85' ' ' MET . . . . . 0.504 ' SD ' ' HA ' ' B' ' 44' ' ' PHE . 37.3 ttp -65.93 -38.99 90.09 Favored 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 177.76 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . 0.477 HD22 ' CD2' ' A' ' 16' ' ' HIS . 26.4 t30 -59.03 -41.41 87.71 Favored 'General case' 0 CA--C 1.508 -0.641 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.825 179.094 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.34 -42.93 96.71 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 178.182 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -67.88 -33.38 74.63 Favored 'General case' 0 C--O 1.215 -0.735 0 CA-C-N 115.417 -0.81 . . . . 0.0 111.881 174.075 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . 0.416 ' N ' ' O ' ' B' ' 85' ' ' MET . 3.9 t80 . . . . . 0 C--N 1.316 -0.88 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 -173.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 0.344 0 N-CA-C 110.748 -0.941 . . . . 0.0 110.748 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.6 m -67.25 159.03 30.0 Favored 'General case' 0 C--O 1.248 0.989 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 179.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -57.61 -43.66 84.89 Favored 'General case' 0 CA--C 1.51 -0.582 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.492 HD12 ' CD2' ' B' ' 11' ' ' LEU . 0.2 OUTLIER -61.2 -44.18 97.7 Favored 'General case' 0 CA--C 1.5 -0.964 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.303 177.883 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -61.8 -45.91 91.8 Favored 'General case' 0 N--CA 1.432 -1.339 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.0 m -64.29 -48.95 73.71 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.707 175.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.29 -48.8 80.27 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.944 0.402 . . . . 0.0 110.642 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.484 ' HG2' ' O ' ' A' ' 4' ' ' LEU . 97.5 mmm -64.41 -40.58 96.06 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.652 -179.173 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -65.14 -36.75 85.24 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.236 -0.586 . . . . 0.0 110.588 175.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 19.3 m -59.52 -42.07 91.4 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 176.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 89.3 mt -61.66 -40.55 95.32 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 173.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.406 HG21 ' OD1' ' B' ' 86' ' ' ASN . 19.4 mm -62.01 -43.73 98.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.811 178.183 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 -60.73 -45.46 94.2 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 120.659 -0.416 . . . . 0.0 109.984 -177.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.475 HG23 HD11 ' B' ' 4' ' ' LEU . 53.3 t -65.09 -45.37 94.48 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.685 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.344 175.539 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.454 ' CZ ' ' HA ' ' A' ' 70' ' ' ASP . 83.9 t80 -59.29 -47.58 84.84 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 177.745 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -58.43 -42.64 87.76 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.966 176.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.79 -50.15 73.18 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.564 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 88.1 m-70 -69.23 -40.68 77.79 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.538 178.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 36.0 m -57.48 -39.2 75.87 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 120.059 -0.656 . . . . 0.0 109.676 178.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.22 -43.07 98.83 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 109.662 -1.375 . . . . 0.0 109.662 175.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -67.06 -44.34 80.39 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 121.263 -0.175 . . . . 0.0 111.367 178.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.484 ' CD ' ' HG ' ' A' ' 29' ' ' SER . 0.0 OUTLIER -66.76 -35.51 80.27 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 120.235 -0.586 . . . . 0.0 110.892 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 119.2 -23.55 8.55 Favored Glycine 0 N--CA 1.461 0.348 0 C-N-CA 121.383 -0.437 . . . . 0.0 113.272 172.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -69.6 150.62 46.87 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 117.639 0.719 . . . . 0.0 110.715 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 35.3 pttt -60.33 -34.82 74.37 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 176.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.584 ' CG ' ' CE3' ' B' ' 90' ' ' TRP . 2.0 p90 -168.12 90.67 0.3 Allowed 'General case' 0 N--CA 1.446 -0.655 0 CA-C-O 121.775 0.798 . . . . 0.0 110.913 169.797 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.554 ' CE ' ' HB3' ' A' ' 70' ' ' ASP . 29.4 mmmt -164.44 165.69 21.24 Favored 'General case' 0 C--N 1.313 -1.005 0 N-CA-C 105.904 -1.887 . . . . 0.0 105.904 171.624 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.535 ' HB3' ' O ' ' A' ' 69' ' ' VAL . 31.4 tp -124.72 125.46 44.11 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 175.755 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.484 ' HG ' ' CD ' ' A' ' 22' ' ' GLU . 2.1 m -82.0 157.48 24.2 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 177.296 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.413 ' HE3' ' O ' ' A' ' 64' ' ' ASN . 20.0 mmtp -65.73 -5.88 9.97 Favored 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 120.3 -0.56 . . . . 0.0 109.774 179.514 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.412 ' H ' ' C ' ' A' ' 29' ' ' SER . 62.7 mttm -63.19 -46.05 88.91 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.442 ' O ' ' HB3' ' A' ' 36' ' ' LEU . 58.9 mm-40 -89.05 -38.04 14.69 Favored 'General case' 0 N--CA 1.44 -0.944 0 CA-C-N 113.65 -1.613 . . . . 0.0 111.701 -175.56 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -56.99 -45.16 83.17 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.74 -0.664 . . . . 0.0 112.04 -167.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.56 -44.69 89.92 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 118.819 -1.152 . . . . 0.0 109.843 178.616 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 76.9 mt-10 -64.99 -46.54 81.03 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 179.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.442 ' HB3' ' O ' ' A' ' 32' ' ' GLU . 4.4 tp -62.07 -51.47 67.84 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.176 -0.92 . . . . 0.0 111.774 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -63.97 -46.09 86.21 Favored 'General case' 0 C--N 1.305 -1.352 0 C-N-CA 119.483 -0.887 . . . . 0.0 111.83 -175.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -66.71 -39.2 87.93 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.302 -0.559 . . . . 0.0 110.714 178.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 59.6 m -70.56 -60.23 2.38 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.386 -177.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.412 ' CD ' HD13 ' A' ' 36' ' ' LEU . 14.9 mp0 -62.87 -36.81 84.5 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 -176.079 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.436 ' HA ' ' CG ' ' B' ' 5' ' ' GLU . 10.2 mp -99.46 39.36 1.31 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.776 0.322 . . . . 0.0 110.777 178.176 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 60.4 m -57.89 -44.55 86.81 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 120.209 -0.596 . . . . 0.0 111.594 -175.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -66.74 -43.64 91.33 Favored Glycine 0 C--N 1.32 -0.356 0 N-CA-C 111.231 -0.747 . . . . 0.0 111.231 179.161 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -64.3 -45.87 86.05 Favored 'General case' 0 CA--C 1.496 -1.099 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 178.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.445 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 40.5 tp -62.03 -47.14 86.08 Favored 'General case' 0 N--CA 1.429 -1.48 0 CA-C-N 114.831 -1.077 . . . . 0.0 111.09 176.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.445 ' HA ' ' HE3' ' A' ' 49' ' ' LYS . 28.4 t70 -62.09 -36.79 82.77 Favored 'General case' 0 CA--C 1.506 -0.722 0 CA-C-O 120.857 0.36 . . . . 0.0 110.264 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.39 -25.0 68.09 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.339 176.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.544 ' NE2' ' HB ' ' A' ' 54' ' ' VAL . 0.0 OUTLIER -147.83 46.57 1.1 Allowed 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 -175.066 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.445 ' HG3' ' O ' ' A' ' 45' ' ' LEU . 76.5 mttt -62.78 -44.11 97.04 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 120.995 0.426 . . . . 0.0 111.076 176.491 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -82.04 -8.7 59.68 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.75 -0.659 . . . . 0.0 112.4 -175.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 72.9 t -68.2 135.96 27.43 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 -178.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.621 ' CG ' ' HZ1' ' A' ' 56' ' ' LYS . 34.4 t70 -59.99 -36.31 76.9 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 120.991 0.424 . . . . 0.0 110.935 -175.377 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.77 -42.51 65.08 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.425 -177.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.544 ' HB ' ' NE2' ' A' ' 48' ' ' GLN . 7.2 p -60.28 -38.31 76.98 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.301 0 C-N-CA 119.671 -0.812 . . . . 0.0 111.207 -179.097 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -60.73 -54.26 47.44 Favored 'General case' 0 CA--C 1.509 -0.619 0 CA-C-O 121.684 0.754 . . . . 0.0 109.944 178.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.621 ' HZ1' ' CG ' ' A' ' 52' ' ' ASP . 61.7 mttp -65.82 -42.41 90.63 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-N 114.785 -1.098 . . . . 0.0 111.253 -179.739 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.529 ' CG1' HD11 ' A' ' 77' ' ' LEU . 55.8 t -63.33 -45.13 98.98 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 179.067 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 45.3 ttm -61.05 -48.62 80.91 Favored 'General case' 0 N--CA 1.432 -1.326 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.407 177.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.7 tttm -72.3 -44.68 62.37 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 113.792 1.034 . . . . 0.0 113.792 -177.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -52.06 -18.24 1.35 Allowed 'General case' 0 C--N 1.31 -1.131 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -176.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -80.8 -7.65 59.47 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.102 176.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 65' ' ' GLY . 59.9 m-20 -61.95 -35.79 79.51 Favored 'General case' 0 CA--C 1.509 -0.607 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 175.414 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -59.49 -36.04 75.27 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 176.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.413 ' O ' ' HE3' ' A' ' 30' ' ' LYS . 4.8 m-20 -84.1 9.79 11.72 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.206 174.727 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . -89.0 13.03 64.26 Favored Glycine 0 N--CA 1.452 -0.299 0 N-CA-C 108.377 -1.889 . . . . 0.0 108.377 172.166 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -55.98 -44.33 78.45 Favored 'General case' 0 CA--C 1.509 -0.615 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 -179.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -140.74 -69.48 0.04 OUTLIER Glycine 0 C--N 1.312 -0.773 0 N-CA-C 108.737 -1.745 . . . . 0.0 108.737 175.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.499 ' N ' ' CD ' ' A' ' 68' ' ' GLU . 0.5 OUTLIER -143.55 -179.12 6.24 Favored 'General case' 0 C--N 1.314 -0.935 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 175.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.535 ' O ' ' HB3' ' A' ' 28' ' ' LEU . 2.0 p -126.64 136.1 61.79 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.248 0 N-CA-C 106.94 -1.504 . . . . 0.0 106.94 176.053 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.554 ' HB3' ' CE ' ' A' ' 27' ' ' LYS . 1.4 p30 -122.79 -161.63 0.96 Allowed 'General case' 0 CA--C 1.494 -1.181 0 C-N-CA 119.751 -0.779 . . . . 0.0 112.786 -179.216 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -59.0 -44.58 91.7 Favored 'General case' 0 C--N 1.31 -1.121 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 -173.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.457 ' CG ' HG13 ' B' ' 83' ' ' VAL . 36.9 mt-30 -61.09 -44.86 96.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.187 177.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.444 ' HB3' HG21 ' A' ' 69' ' ' VAL . 2.1 mp0 -69.68 -42.07 74.64 Favored 'General case' 0 CA--C 1.548 0.891 0 CA-C-O 121.46 0.648 . . . . 0.0 110.438 176.638 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.51 ' N ' ' O ' ' A' ' 70' ' ' ASP . 31.4 t80 -62.68 -47.89 81.71 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 115.586 -0.734 . . . . 0.0 112.549 -177.049 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 13.2 m -61.7 -42.94 96.22 Favored 'Isoleucine or valine' 0 C--O 1.237 0.415 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -176.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 8.2 p -63.52 -39.3 84.82 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.735 0 C-N-CA 120.099 -0.64 . . . . 0.0 110.358 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.529 HD11 ' CG1' ' A' ' 57' ' ' VAL . 53.5 tp -62.1 -48.04 81.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.948 -178.428 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 9.5 m -68.66 -41.81 82.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 C-N-CA 120.025 -0.67 . . . . 0.0 110.528 177.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.43 -40.0 95.17 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.737 178.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.92 -47.35 83.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.233 0.54 . . . . 0.0 109.647 179.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 97.5 mt -63.59 -40.89 98.09 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.818 175.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 20.9 m -60.08 -50.19 74.67 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.395 -178.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 10.4 p -62.77 -42.65 97.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 C-N-CA 120.367 -0.533 . . . . 0.0 110.315 178.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -58.39 -50.85 72.2 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-O 120.965 0.412 . . . . 0.0 110.149 177.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.91 -46.87 61.76 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.277 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.46 ' O ' ' HB2' ' A' ' 89' ' ' PHE . 9.5 m120 -66.9 -21.72 65.99 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.556 -178.577 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.538 ' HA ' ' CE3' ' A' ' 90' ' ' TRP . 20.7 t-20 -56.52 -38.55 71.98 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 174.552 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -63.8 -38.0 89.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.551 174.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.46 ' HB2' ' O ' ' A' ' 86' ' ' ASN . 7.2 m-85 -57.89 -46.13 85.36 Favored 'General case' 0 CA--C 1.508 -0.656 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.681 179.381 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.538 ' CE3' ' HA ' ' A' ' 87' ' ' ASN . 2.0 m0 -73.21 -52.56 13.61 Favored 'General case' 0 C--N 1.308 -1.219 0 CA-C-O 121.335 0.588 . . . . 0.0 110.4 -176.686 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -71.49 -46.81 58.79 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.356 -0.838 . . . . 0.0 112.336 -175.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 60.5 t-20 -95.33 99.98 11.83 Favored 'General case' 0 CA--C 1.506 -0.737 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 175.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.2 m . . . . . 0 C--O 1.204 -1.294 0 C-N-CA 123.866 0.867 . . . . 0.0 108.744 -174.205 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.779 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 3.9 m -70.58 177.95 3.24 Favored 'General case' 0 C--O 1.247 0.971 0 C-N-CA 123.237 0.615 . . . . 0.0 111.103 -177.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.423 ' H ' ' CD ' ' B' ' 3' ' ' GLU . 1.8 mp0 -57.62 -41.04 80.5 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.475 HD11 HG23 ' A' ' 14' ' ' VAL . 1.4 mm? -62.14 -43.51 98.67 Favored 'General case' 0 CA--C 1.503 -0.83 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 178.46 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.436 ' CG ' ' HA ' ' A' ' 41' ' ' LEU . 43.6 mt-10 -62.96 -42.64 99.88 Favored 'General case' 0 N--CA 1.437 -1.078 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 -179.744 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 7.2 m -61.52 -46.31 90.52 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.25 -0.887 . . . . 0.0 109.028 174.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.27 -47.09 84.72 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.796 178.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' MET . . . . . 0.473 ' HG2' ' O ' ' B' ' 4' ' ' LEU . 96.2 mmm -63.61 -40.67 97.52 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.691 179.074 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -62.67 -38.7 91.4 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 119.673 -0.811 . . . . 0.0 109.201 174.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 7.6 m -58.95 -43.17 91.2 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 177.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.492 ' CD2' HD12 ' A' ' 4' ' ' LEU . 97.6 mt -62.41 -42.06 99.15 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 176.42 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.578 HD11 ' CE2' ' B' ' 71' ' ' PHE . 21.2 mm -63.04 -44.61 99.7 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -61.64 -42.67 99.22 Favored 'General case' 0 CA--C 1.503 -0.842 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.883 -177.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 70.1 t -64.87 -44.93 96.21 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.678 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.915 175.297 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -58.06 -47.49 82.99 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 178.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -63.99 -37.6 88.02 Favored 'General case' 0 C--O 1.24 0.59 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.772 176.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . 0.476 ' O ' ' HG2' ' B' ' 21' ' ' LYS . . . -53.62 -34.34 58.14 Favored 'General case' 0 CA--C 1.511 -0.526 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 179.128 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -88.51 -35.6 16.89 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 68.9 m -54.92 -40.05 69.47 Favored 'General case' 0 C--O 1.242 0.672 0 CA-C-O 121.265 0.555 . . . . 0.0 109.666 178.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.62 -38.23 95.95 Favored Glycine 0 N--CA 1.45 -0.43 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 178.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . 0.476 ' HG2' ' O ' ' B' ' 17' ' ' ALA . 15.6 mmtp -64.3 -48.66 74.82 Favored 'General case' 0 C--O 1.238 0.5 0 CA-C-O 121.059 0.457 . . . . 0.0 109.875 -177.549 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.539 ' CD ' ' H ' ' B' ' 29' ' ' SER . 99.1 mt-10 -69.73 -40.38 76.25 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.128 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 113.52 47.89 0.62 Allowed Glycine 0 CA--C 1.516 0.098 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.853 175.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -131.27 149.4 52.58 Favored 'General case' 0 CA--C 1.509 -0.606 0 CA-C-N 116.785 0.292 . . . . 0.0 110.34 176.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 20.7 pttm -61.86 -39.8 93.15 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 177.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.465 ' CG ' ' CE3' ' A' ' 90' ' ' TRP . 1.6 p90 -162.4 93.76 0.86 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.961 171.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 2.2 mmtm -163.64 158.68 20.8 Favored 'General case' 0 CA--C 1.498 -1.054 0 CA-C-N 115.171 -0.922 . . . . 0.0 109.056 172.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.453 HD23 HD21 ' B' ' 33' ' ' LEU . 45.8 tp -126.04 136.6 53.13 Favored 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 172.163 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.539 ' H ' ' CD ' ' B' ' 22' ' ' GLU . 1.4 m -106.33 167.59 9.72 Favored 'General case' 0 C--N 1.305 -1.34 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 179.182 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.421 ' O ' ' HG3' ' B' ' 34' ' ' LYS . 13.5 mmmm -66.93 -3.28 6.64 Favored 'General case' 0 C--N 1.313 -0.982 0 C-N-CA 120.124 -0.63 . . . . 0.0 111.763 -176.79 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.431 ' HD2' ' HG2' ' B' ' 22' ' ' GLU . 0.5 OUTLIER -81.92 -60.8 2.11 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -178.834 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.474 ' O ' ' N ' ' B' ' 36' ' ' LEU . 58.2 mm-40 -65.76 -35.96 82.21 Favored 'General case' 0 CA--C 1.507 -0.682 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 175.443 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.453 HD21 HD23 ' B' ' 28' ' ' LEU . 2.4 tm? -56.84 -44.4 82.08 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.756 -171.48 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.421 ' HG3' ' O ' ' B' ' 30' ' ' LYS . 46.8 mttp -62.56 -45.61 92.15 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 119.668 -0.813 . . . . 0.0 109.38 -178.48 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -70.04 -42.97 72.2 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 114.789 -1.096 . . . . 0.0 109.99 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.474 ' N ' ' O ' ' B' ' 32' ' ' GLU . 2.5 tp -60.6 -47.53 85.81 Favored 'General case' 0 C--N 1.309 -1.17 0 CA-C-N 115.428 -0.805 . . . . 0.0 111.435 178.518 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -62.78 -45.96 90.2 Favored 'General case' 0 C--N 1.314 -0.946 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.895 -177.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -65.81 -40.12 91.57 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.071 -0.652 . . . . 0.0 110.515 176.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 79.3 m -62.25 -52.32 64.21 Favored 'General case' 0 C--O 1.241 0.625 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.271 -176.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.466 ' HB3' ' HB2' ' A' ' 4' ' ' LEU . 76.2 mm-40 -71.92 -43.93 64.49 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 -178.192 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 10.7 mp -95.43 40.23 1.11 Allowed 'General case' 0 C--N 1.308 -1.207 0 CA-C-O 121.056 0.455 . . . . 0.0 111.008 -178.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 55.8 m -52.58 -42.01 64.13 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.479 179.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.78 -47.07 57.92 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.562 -0.615 . . . . 0.0 111.562 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.576 ' HA ' ' SD ' ' B' ' 85' ' ' MET . 77.2 m-85 -68.26 -40.65 81.83 Favored 'General case' 0 CA--C 1.499 -0.982 0 CA-C-O 121.323 0.582 . . . . 0.0 110.226 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 6.6 tp -60.23 -48.61 81.01 Favored 'General case' 0 N--CA 1.435 -1.205 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.255 -178.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -67.39 -38.29 84.45 Favored 'General case' 0 C--N 1.309 -1.18 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -178.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . 0.596 ' CB ' ' SD ' ' B' ' 85' ' ' MET . . . -65.16 -41.51 94.61 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.557 0.577 . . . . 0.0 112.557 -176.022 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.497 ' HB2' ' HB ' ' B' ' 51' ' ' VAL . 0.7 OUTLIER -117.49 48.56 1.33 Allowed 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 121.167 0.508 . . . . 0.0 111.951 -177.384 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 15.6 mtpt -64.65 -43.58 93.17 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.194 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 41.5 p-10 -91.93 -1.81 57.1 Favored 'General case' 0 CA--C 1.509 -0.604 0 CA-C-N 114.992 -1.004 . . . . 0.0 111.255 -174.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . 0.497 ' HB ' ' HB2' ' B' ' 48' ' ' GLN . 86.5 t -76.92 136.83 23.69 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.109 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.111 -179.42 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -58.71 -42.01 87.64 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.328 -177.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -49.74 -40.9 42.46 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.729 -0.669 . . . . 0.0 112.232 -174.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.428 HG13 ' O ' ' B' ' 51' ' ' VAL . 11.7 p -60.56 -42.79 92.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 C-N-CA 120.077 -0.649 . . . . 0.0 110.288 -177.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -60.85 -46.55 90.13 Favored 'General case' 0 CA--C 1.5 -0.971 0 CA-C-O 121.377 0.608 . . . . 0.0 109.785 176.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 14.9 mmtp -63.52 -43.55 96.85 Favored 'General case' 0 N--CA 1.44 -0.975 0 CA-C-N 115.182 -0.917 . . . . 0.0 109.292 -174.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . 0.452 HG13 ' CD1' ' B' ' 77' ' ' LEU . 66.7 t -65.96 -43.14 92.86 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.451 174.608 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 34.6 mmm -59.88 -46.02 90.64 Favored 'General case' 0 CA--C 1.506 -0.737 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . 0.483 ' HA ' ' HB2' ' B' ' 62' ' ' ASP . 0.0 OUTLIER -65.35 -42.44 92.82 Favored 'General case' 0 N--CA 1.429 -1.498 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.942 176.509 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -60.2 -41.54 93.17 Favored 'General case' 0 C--N 1.313 -0.997 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.464 ' HG ' ' CD1' ' B' ' 77' ' ' LEU . 3.1 mm? -65.27 -33.86 76.97 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.473 170.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.483 ' HB2' ' HA ' ' B' ' 59' ' ' LYS . 32.7 m-20 -63.04 -38.1 89.84 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 175.637 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . 0.485 ' C ' ' H ' ' B' ' 65' ' ' GLY . 78.9 mm-40 -62.72 -44.39 96.34 Favored 'General case' 0 CA--C 1.511 -0.54 0 N-CA-C 106.963 -1.495 . . . . 0.0 106.963 176.255 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.5 HD22 ' CD ' ' B' ' 73' ' ' GLU . 21.6 t-20 -82.05 36.07 0.45 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.937 -1.029 . . . . 0.0 108.672 171.507 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.485 ' H ' ' C ' ' B' ' 63' ' ' GLU . . . -107.94 20.99 30.44 Favored Glycine 0 CA--C 1.496 -1.147 0 N-CA-C 109.843 -1.303 . . . . 0.0 109.843 -177.583 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -60.53 -43.11 97.53 Favored 'General case' 0 N--CA 1.441 -0.876 0 CA-C-N 115.447 -0.376 . . . . 0.0 110.178 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -171.9 -83.46 0.05 OUTLIER Glycine 0 C--N 1.317 -0.489 0 C-N-CA 120.807 -0.711 . . . . 0.0 111.508 177.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -91.21 152.25 20.61 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.363 -0.418 . . . . 0.0 110.524 -176.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.403 ' N ' ' O ' ' B' ' 28' ' ' LEU . 1.5 p -127.46 128.0 69.44 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 173.006 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.436 ' CG ' ' N ' ' B' ' 71' ' ' PHE . 0.0 OUTLIER -94.6 -176.78 4.01 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 120.566 -0.453 . . . . 0.0 111.47 -174.697 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.578 ' CE2' HD11 ' B' ' 12' ' ' ILE . 63.3 t80 -61.37 -45.37 94.66 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.145 -177.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -61.96 -41.55 98.13 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.171 177.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.5 ' CD ' HD22 ' B' ' 64' ' ' ASN . 70.2 mt-10 -67.24 -41.14 86.14 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-O 121.369 0.604 . . . . 0.0 109.88 176.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 37.1 t80 -61.83 -48.42 80.65 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.385 178.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 33.8 m -63.5 -39.58 85.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 C-N-CA 119.992 -0.683 . . . . 0.0 112.156 -175.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 8.6 p -64.13 -36.73 77.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.81 -178.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . 0.464 ' CD1' ' HG ' ' B' ' 61' ' ' LEU . 50.0 tp -60.9 -49.12 78.77 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.555 178.193 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 18.9 m -69.72 -41.22 79.95 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 C-N-CA 120.151 -0.62 . . . . 0.0 110.549 177.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . 0.401 ' O ' HG12 ' B' ' 83' ' ' VAL . . . -61.4 -49.46 76.81 Favored 'General case' 0 CA--C 1.508 -0.669 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.524 179.276 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.08 -46.8 84.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.112 0.482 . . . . 0.0 110.007 -178.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 98.2 mt -63.37 -41.99 98.84 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.831 176.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.41 ' O ' ' HB2' ' B' ' 86' ' ' ASN . 94.6 m -61.08 -51.34 69.57 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.808 -179.249 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . 0.457 HG13 ' CG ' ' A' ' 72' ' ' GLN . 9.8 p -64.17 -42.43 95.52 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.507 0 C-N-CA 120.893 -0.323 . . . . 0.0 111.011 178.519 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -51.51 -53.72 34.67 Favored 'General case' 0 CA--C 1.505 -0.755 0 C-N-CA 120.314 -0.555 . . . . 0.0 109.528 -177.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 85' ' ' MET . . . . . 0.596 ' SD ' ' CB ' ' B' ' 47' ' ' ALA . 34.2 ttp -70.59 -45.82 64.59 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.241 177.383 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . 0.573 ' OD1' ' NE1' ' B' ' 90' ' ' TRP . 4.1 t-20 -61.52 -35.59 78.14 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.732 -175.712 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . 0.583 ' HA ' ' CD2' ' B' ' 90' ' ' TRP . 1.2 t-20 -57.68 -39.85 78.09 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 176.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.524 ' O ' ' N ' ' B' ' 92' ' ' ASN . 67.8 m-85 -63.56 -36.99 85.62 Favored 'General case' 0 C--O 1.215 -0.719 0 C-N-CA 120.284 -0.566 . . . . 0.0 109.683 173.294 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -60.68 -39.8 89.79 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 120.818 -0.353 . . . . 0.0 111.062 176.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . 0.584 ' CE3' ' CG ' ' A' ' 26' ' ' TYR . 7.8 m0 -67.14 -51.11 57.93 Favored 'General case' 0 CA--C 1.507 -0.696 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 178.256 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -70.71 -46.15 63.64 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 114.611 -1.177 . . . . 0.0 111.313 -175.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . 0.524 ' N ' ' O ' ' B' ' 88' ' ' PHE . 50.6 t30 -100.51 99.75 10.39 Favored 'General case' 0 CA--C 1.501 -0.939 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 172.283 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 11.8 t . . . . . 0 C--N 1.309 -1.194 0 CA-C-O 118.403 -0.808 . . . . 0.0 111.308 -173.8 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.241 0.575 0 N-CA-C 111.776 -0.53 . . . . 0.0 111.776 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 4' ' ' LEU . 0.8 OUTLIER -85.42 -172.02 3.92 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.745 -0.228 . . . . 0.0 110.958 -178.568 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.446 ' CD ' ' H ' ' A' ' 3' ' ' GLU . 50.2 mp0 -41.87 -22.4 0.02 OUTLIER 'General case' 0 C--O 1.225 -0.188 0 C-N-CA 123.212 0.605 . . . . 0.0 111.154 179.589 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 2' ' ' SER . 4.2 mm? -59.94 -43.97 94.64 Favored 'General case' 0 N--CA 1.444 -0.731 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 -178.503 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -67.25 -43.54 81.68 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.151 -0.62 . . . . 0.0 111.116 178.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.7 m -60.2 -45.84 91.79 Favored 'General case' 0 C--O 1.244 0.777 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 176.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.43 -50.05 74.26 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 109.823 177.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.505 ' SD ' HD13 ' B' ' 11' ' ' LEU . 94.5 mmm -64.98 -42.7 94.3 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.469 -0.492 . . . . 0.0 110.689 177.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -63.45 -36.67 84.53 Favored 'General case' 0 CA--C 1.51 -0.587 0 C-N-CA 120.108 -0.637 . . . . 0.0 110.983 178.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 18.9 m -58.4 -45.03 89.18 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 175.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.572 HD11 ' SD ' ' B' ' 8' ' ' MET . 82.0 mt -62.59 -41.82 99.2 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.11 174.451 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.463 HG21 ' ND2' ' B' ' 86' ' ' ASN . 18.8 mm -62.54 -44.33 99.23 Favored 'Isoleucine or valine' 0 C--O 1.239 0.549 0 CA-C-O 120.962 0.41 . . . . 0.0 109.974 -179.171 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 63.6 m-20 -61.55 -44.31 97.27 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.406 -175.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 92.2 t -63.76 -45.41 97.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 176.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -59.31 -48.06 83.06 Favored 'General case' 0 C--O 1.24 0.561 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.123 178.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -65.66 -39.94 91.89 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.733 176.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.87 -40.88 90.16 Favored 'General case' 0 CA--C 1.515 -0.371 0 C-N-CA 120.446 -0.501 . . . . 0.0 110.221 179.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 53.6 m-70 -82.44 -14.71 54.65 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.876 177.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.411 ' O ' ' N ' ' A' ' 23' ' ' GLY . 62.3 m -58.43 -37.75 76.04 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 120.012 -0.675 . . . . 0.0 110.001 178.031 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -56.48 -20.27 29.83 Favored Glycine 0 CA--C 1.523 0.557 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.693 178.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.6 mmtp -62.24 -43.01 99.79 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 122.789 -0.242 . . . . 0.0 110.74 -176.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -162.68 -3.13 0.04 OUTLIER 'General case' 0 C--O 1.22 -0.451 0 CA-C-N 116.64 -0.255 . . . . 0.0 111.177 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 19' ' ' SER . . . -60.23 143.42 47.51 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.725 -0.55 . . . . 0.0 111.725 -173.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -60.07 -48.98 79.46 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-O 121.346 0.593 . . . . 0.0 109.764 178.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.402 ' C ' ' CD1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -140.92 -72.75 0.35 Allowed 'General case' 0 CA--C 1.492 -1.275 0 N-CA-C 107.182 -1.414 . . . . 0.0 107.182 171.823 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.46 ' HH ' ' CD ' ' B' ' 91' ' ' GLU . 0.2 OUTLIER -123.56 91.63 3.51 Favored 'General case' 0 N--CA 1.427 -1.604 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 172.79 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.4 mmmm -158.3 156.54 30.8 Favored 'General case' 0 CA--C 1.498 -1.02 0 N-CA-C 107.125 -1.435 . . . . 0.0 107.125 178.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.64 ' O ' ' N ' ' A' ' 69' ' ' VAL . 44.8 tp -124.53 133.51 53.29 Favored 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 179.304 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.0 p -81.41 158.44 24.61 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 119.523 -0.871 . . . . 0.0 110.125 176.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.551 ' CD ' ' HB ' ' A' ' 69' ' ' VAL . 4.0 mmtm -69.68 -6.95 35.02 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 119.477 -0.889 . . . . 0.0 111.713 -175.566 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 40.0 mttt -66.26 -51.29 58.99 Favored 'General case' 0 CA--C 1.497 -1.092 0 N-CA-C 107.522 -1.288 . . . . 0.0 107.522 179.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -70.88 -33.33 70.49 Favored 'General case' 0 N--CA 1.432 -1.367 0 CA-C-N 113.454 -1.703 . . . . 0.0 110.142 178.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.429 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . 3.1 tm? -58.26 -51.26 70.49 Favored 'General case' 0 N--CA 1.445 -0.725 0 C-N-CA 120.277 -0.569 . . . . 0.0 109.626 -173.651 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.464 ' HZ2' ' CG ' ' A' ' 62' ' ' ASP . 98.6 mttt -68.91 -42.47 76.83 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.858 174.543 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -69.35 -42.64 75.0 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.008 -0.542 . . . . 0.0 112.108 -175.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.443 ' HG ' ' N ' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -80.14 -39.76 28.78 Favored 'General case' 0 C--O 1.239 0.524 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -178.199 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.443 ' N ' ' HG ' ' A' ' 36' ' ' LEU . 2.9 tm? -61.41 -44.55 96.95 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.521 -0.472 . . . . 0.0 110.666 -175.619 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.411 ' HG3' ' N ' ' A' ' 39' ' ' THR . 8.7 pt20 -59.2 -42.13 90.19 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.294 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.411 ' N ' ' HG3' ' A' ' 38' ' ' GLN . 0.1 OUTLIER -64.74 -53.06 53.05 Favored 'General case' 0 N--CA 1.432 -1.337 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.454 -178.524 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.48 ' CD ' ' HG ' ' B' ' 2' ' ' SER . 70.1 mm-40 -70.65 -39.44 73.64 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-N 115.697 -0.683 . . . . 0.0 112.634 -171.689 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.9 mp -108.48 36.48 2.81 Favored 'General case' 0 C--O 1.242 0.675 0 CA-C-O 121.037 0.446 . . . . 0.0 109.973 -178.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.23 -34.86 72.7 Favored 'General case' 0 C--N 1.309 -1.172 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.599 -176.325 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.73 -47.07 79.57 Favored Glycine 0 C--O 1.241 0.563 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 178.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.475 ' O ' ' HG3' ' A' ' 48' ' ' GLN . 20.8 m-85 -69.29 -44.78 71.11 Favored 'General case' 0 CA--C 1.486 -1.492 0 CA-C-O 121.286 0.565 . . . . 0.0 109.503 176.472 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.491 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 49.1 tp -60.11 -46.45 89.56 Favored 'General case' 0 N--CA 1.423 -1.822 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.262 -178.695 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.429 ' HA ' ' HE3' ' A' ' 49' ' ' LYS . 22.1 t70 -63.96 -36.25 83.35 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 175.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.88 -39.49 94.32 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.71 178.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.51 HE21 ' C ' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -117.66 39.08 3.42 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 114.142 1.164 . . . . 0.0 114.142 -177.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.491 ' HG3' ' O ' ' A' ' 45' ' ' LEU . 78.7 mttt -64.05 -38.05 89.68 Favored 'General case' 0 C--N 1.316 -0.88 0 C-N-CA 120.303 -0.559 . . . . 0.0 110.021 173.073 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -89.09 12.03 16.81 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.91 -175.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 77.7 t -98.31 132.8 42.62 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 -179.046 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.513 ' CG ' ' HZ1' ' A' ' 56' ' ' LYS . 25.7 t70 -53.14 -44.19 67.56 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.05 0.452 . . . . 0.0 111.323 -176.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.17 -24.29 40.47 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 115.641 -0.708 . . . . 0.0 111.539 -177.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.47 ' O ' ' HG3' ' A' ' 58' ' ' MET . 1.3 p -58.87 -47.15 90.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 C-N-CA 119.726 -0.79 . . . . 0.0 110.581 -178.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.404 ' N ' ' CG1' ' A' ' 54' ' ' VAL . 34.1 t70 -71.07 -46.81 61.24 Favored 'General case' 0 CA--C 1.509 -0.6 0 CA-C-O 121.155 0.502 . . . . 0.0 111.686 178.572 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.513 ' HZ1' ' CG ' ' A' ' 52' ' ' ASP . 0.1 OUTLIER -60.79 -41.7 96.09 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.279 -174.106 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.441 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 89.6 t -60.99 -46.64 96.26 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.052 0 C-N-CA 119.663 -0.815 . . . . 0.0 109.67 -177.66 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.546 ' O ' ' N ' ' A' ' 62' ' ' ASP . 2.5 mtm -64.12 -39.21 93.55 Favored 'General case' 0 CA--C 1.505 -0.759 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 175.693 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.2 tppp? -60.81 -43.81 97.69 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.881 -175.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -61.77 -43.02 99.68 Favored 'General case' 0 C--O 1.248 0.996 0 N-CA-C 108.882 -0.785 . . . . 0.0 108.882 174.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.528 ' O ' ' N ' ' A' ' 65' ' ' GLY . 88.8 mt -64.39 -41.11 96.85 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.751 177.677 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.546 ' N ' ' O ' ' A' ' 58' ' ' MET . 59.0 m-20 -65.08 -38.37 90.54 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.74 -177.31 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -66.23 -36.47 83.11 Favored 'General case' 0 CA--C 1.52 -0.205 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 175.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.476 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . 3.9 m-20 -85.87 12.13 9.86 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 114.739 -1.119 . . . . 0.0 108.623 168.213 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.528 ' N ' ' O ' ' A' ' 61' ' ' LEU . . . -94.53 39.62 2.87 Favored Glycine 0 CA--C 1.496 -1.139 0 N-CA-C 110.688 -0.965 . . . . 0.0 110.688 -176.371 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -61.42 -37.83 84.93 Favored 'General case' 0 N--CA 1.44 -0.94 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 178.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -170.79 -57.44 0.04 OUTLIER Glycine 0 CA--C 1.525 0.67 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.334 176.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.441 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . 58.6 mt-10 -91.46 156.03 18.01 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 -176.328 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.64 ' N ' ' O ' ' A' ' 28' ' ' LEU . 2.1 p -129.04 127.61 66.17 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.113 0 N-CA-C 106.47 -1.678 . . . . 0.0 106.47 163.284 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.573 ' CG ' ' H ' ' A' ' 71' ' ' PHE . 12.1 t70 -92.97 176.44 6.42 Favored 'General case' 0 C--N 1.308 -1.223 0 C-N-CA 120.22 -0.592 . . . . 0.0 109.718 -179.266 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.573 ' H ' ' CG ' ' A' ' 70' ' ' ASP . 49.0 t80 -59.06 -41.22 87.4 Favored 'General case' 0 C--N 1.308 -1.212 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 179.013 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.408 ' O ' HG21 ' A' ' 75' ' ' VAL . 43.1 mt-30 -55.87 -44.55 78.21 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.813 -1.085 . . . . 0.0 110.43 177.584 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.452 ' CB ' HG21 ' A' ' 69' ' ' VAL . 77.7 mt-10 -69.99 -40.68 75.18 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 121.494 0.664 . . . . 0.0 109.766 175.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -61.73 -48.03 82.56 Favored 'General case' 0 C--O 1.242 0.674 0 CA-C-N 115.568 -0.742 . . . . 0.0 112.021 -177.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.408 HG21 ' O ' ' A' ' 72' ' ' GLN . 14.1 m -62.83 -41.61 93.19 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 C-N-CA 120.242 -0.583 . . . . 0.0 111.899 -177.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 14.6 p -64.94 -38.32 82.47 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.64 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.686 179.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.439 ' CD2' ' HG ' ' A' ' 37' ' ' LEU . 49.0 tp -60.8 -49.04 79.08 Favored 'General case' 0 CA--C 1.507 -0.674 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.604 179.502 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 24.3 m -68.26 -43.91 84.3 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 C-N-CA 120.006 -0.678 . . . . 0.0 110.476 177.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.6 -46.66 87.27 Favored 'General case' 0 CA--C 1.51 -0.56 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.932 -178.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.09 -47.88 81.86 Favored 'General case' 0 CA--C 1.509 -0.603 0 CA-C-O 121.092 0.472 . . . . 0.0 110.156 -177.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 93.8 mt -63.17 -41.99 99.33 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.67 177.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.447 HG22 ' OD1' ' A' ' 86' ' ' ASN . 20.2 m -63.35 -52.6 61.1 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.001 179.063 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.434 HG22 ' ND2' ' A' ' 87' ' ' ASN . 11.3 p -63.57 -41.46 92.72 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.62 0 C-N-CA 120.351 -0.54 . . . . 0.0 110.371 -179.03 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -49.78 -59.56 3.72 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.942 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.543 ' O ' ' N ' ' A' ' 89' ' ' PHE . 89.9 mmm -66.94 -42.96 84.41 Favored 'General case' 0 CA--C 1.501 -0.938 0 N-CA-C 113.449 0.907 . . . . 0.0 113.449 175.509 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.447 ' OD1' HG22 ' A' ' 82' ' ' THR . 10.0 m120 -63.01 -44.69 95.27 Favored 'General case' 0 C--N 1.314 -0.935 0 C-N-CA 119.023 -1.071 . . . . 0.0 111.734 -175.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.434 ' ND2' HG22 ' A' ' 83' ' ' VAL . 90.1 m-20 -66.38 -41.88 88.76 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.328 0.585 . . . . 0.0 110.205 175.564 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -61.56 -43.42 98.89 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.669 176.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.543 ' N ' ' O ' ' A' ' 85' ' ' MET . 0.5 OUTLIER -46.59 -45.98 19.25 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.963 -173.205 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.541 ' NE1' ' CE1' ' B' ' 16' ' ' HIS . 43.4 m95 -61.35 -82.12 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 -178.46 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -109.42 -82.05 0.57 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.504 0.669 . . . . 0.0 111.491 175.252 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -143.54 -154.06 0.5 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.837 -1.074 . . . . 0.0 108.832 178.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.495 ' OG ' ' NZ ' ' B' ' 25' ' ' LYS . 1.2 m . . . . . 0 C--O 1.219 -0.525 0 CA-C-O 117.685 -1.15 . . . . 0.0 111.003 175.032 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.462 0.383 0 N-CA-C 110.717 -0.953 . . . . 0.0 110.717 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' SER . . . . . 0.48 ' HG ' ' CD ' ' A' ' 40' ' ' GLU . 17.0 m -58.53 153.51 15.96 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 120.904 0.383 . . . . 0.0 110.376 -178.796 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -47.32 -26.44 1.26 Allowed 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 174.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.473 ' O ' ' HG2' ' B' ' 8' ' ' MET . 58.0 mt -62.11 -42.84 99.63 Favored 'General case' 0 N--CA 1.435 -1.213 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.277 -179.389 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -63.0 -43.16 99.54 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 119.871 -0.732 . . . . 0.0 109.09 176.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.424 ' O ' ' N ' ' B' ' 10' ' ' THR . 7.2 m -62.05 -46.91 87.07 Favored 'General case' 0 C--O 1.246 0.884 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.885 176.208 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.51 -47.68 83.32 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.96 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' MET . . . . . 0.572 ' SD ' HD11 ' A' ' 11' ' ' LEU . 88.7 mmm -63.63 -41.63 98.24 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.553 179.015 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -65.41 -37.26 86.4 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 119.872 -0.731 . . . . 0.0 110.274 175.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' THR . . . . . 0.424 ' N ' ' O ' ' B' ' 6' ' ' THR . 14.3 m -59.48 -44.21 93.1 Favored 'General case' 0 C--O 1.238 0.467 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 176.26 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.505 HD13 ' SD ' ' A' ' 8' ' ' MET . 85.2 mt -61.91 -41.84 98.38 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.417 176.107 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 19.3 mm -62.52 -43.32 98.26 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.686 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 177.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -59.62 -44.09 93.58 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 -176.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 94.8 t -62.73 -48.76 86.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.615 175.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -60.89 -49.31 77.97 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.174 -179.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.599 ' CE1' ' HB3' ' B' ' 26' ' ' TYR . 1.9 m-70 -66.24 -38.79 88.71 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.309 178.762 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.17 -47.59 82.93 Favored 'General case' 0 CA--C 1.517 -0.322 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 176.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 77.7 m-70 -70.57 -31.56 68.63 Favored 'General case' 0 C--O 1.218 -0.586 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.32 175.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.428 ' HA ' ' O ' ' B' ' 27' ' ' LYS . 24.2 m -52.93 -40.94 64.01 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 119.834 -0.746 . . . . 0.0 109.58 179.353 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -54.09 -24.41 28.11 Favored Glycine 0 CA--C 1.521 0.425 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 178.004 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 12.6 mmtp -62.47 -43.32 99.1 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 -178.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -165.88 -68.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.124 0.487 . . . . 0.0 110.793 -175.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -34.58 89.71 0.01 OUTLIER Glycine 0 CA--C 1.522 0.509 0 CA-C-N 114.749 -1.114 . . . . 0.0 113.591 -171.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . 0.645 ' CG ' ' H ' ' B' ' 25' ' ' LYS . 41.8 t0 36.03 -158.83 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.409 0.684 . . . . 0.0 111.851 175.703 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.645 ' H ' ' CG ' ' B' ' 24' ' ' ASP . 27.5 pttt -62.91 -46.36 88.16 Favored 'General case' 0 CA--C 1.505 -0.775 0 C-N-CA 119.827 -0.749 . . . . 0.0 109.822 178.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.599 ' HB3' ' CE1' ' B' ' 16' ' ' HIS . 0.2 OUTLIER -145.47 93.6 2.39 Favored 'General case' 0 N--CA 1.441 -0.877 0 CA-C-N 115.606 -0.724 . . . . 0.0 111.181 170.117 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.428 ' O ' ' HA ' ' B' ' 19' ' ' SER . 5.3 mmmm -155.36 167.55 30.01 Favored 'General case' 0 C--N 1.309 -1.179 0 N-CA-C 106.95 -1.5 . . . . 0.0 106.95 175.276 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.493 ' HB3' HG11 ' B' ' 69' ' ' VAL . 48.8 tp -122.57 128.9 51.32 Favored 'General case' 0 C--N 1.307 -1.266 0 C-N-CA 119.788 -0.765 . . . . 0.0 110.377 -178.567 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 8.3 p -81.99 159.57 23.5 Favored 'General case' 0 C--O 1.238 0.492 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 176.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.563 ' NZ ' ' O ' ' B' ' 61' ' ' LEU . 10.3 mmmm -71.73 -7.61 49.17 Favored 'General case' 0 C--N 1.317 -0.821 0 C-N-CA 119.896 -0.722 . . . . 0.0 109.733 -176.775 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 69.2 mttt -68.83 -57.26 5.81 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 122.337 1.065 . . . . 0.0 108.95 -178.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -71.66 -36.95 70.84 Favored 'General case' 0 N--CA 1.422 -1.834 0 CA-C-N 113.362 -1.744 . . . . 0.0 110.153 -178.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -58.57 -46.07 87.68 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.147 -174.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.429 ' HZ2' ' CG ' ' B' ' 62' ' ' ASP . 68.4 mttm -64.17 -43.36 95.4 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 119.759 -0.776 . . . . 0.0 110.108 178.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -70.05 -49.91 46.48 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.063 -178.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.438 ' HG ' ' N ' ' B' ' 37' ' ' LEU . 0.1 OUTLIER -64.08 -43.06 96.59 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 112.497 0.554 . . . . 0.0 112.497 -179.414 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.438 ' N ' ' HG ' ' B' ' 36' ' ' LEU . 2.5 tm? -61.78 -45.43 93.92 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.257 -0.577 . . . . 0.0 110.24 -177.059 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.408 ' HG2' ' O ' ' B' ' 34' ' ' LYS . 27.8 pt20 -68.49 -39.39 81.35 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 120.161 -0.616 . . . . 0.0 110.995 175.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 97.6 m -62.15 -49.6 75.21 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.212 -177.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -82.63 -42.3 18.37 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.603 0.594 . . . . 0.0 112.603 -170.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 11.0 mp -88.18 44.08 1.17 Allowed 'General case' 0 CA--C 1.514 -0.427 0 CA-C-O 121.045 0.45 . . . . 0.0 110.517 -178.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -55.69 -39.04 70.45 Favored 'General case' 0 C--N 1.308 -1.236 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.687 -176.286 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.42 -49.58 43.98 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.565 -0.614 . . . . 0.0 111.565 179.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.48 ' O ' ' HG3' ' B' ' 48' ' ' GLN . 60.8 m-85 -68.1 -40.51 82.57 Favored 'General case' 0 CA--C 1.499 -1.017 0 CA-C-O 121.17 0.51 . . . . 0.0 110.11 177.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 19.4 tp -57.86 -48.24 80.39 Favored 'General case' 0 CA--C 1.498 -1.044 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.342 176.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.563 ' HA ' ' NZ ' ' B' ' 49' ' ' LYS . 32.8 t70 -70.65 -34.21 71.8 Favored 'General case' 0 C--N 1.301 -1.53 0 C-N-CA 120.225 -0.59 . . . . 0.0 111.76 176.496 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . 0.415 ' HB1' ' SD ' ' B' ' 85' ' ' MET . . . -62.9 -38.32 90.46 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.439 -179.332 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.48 ' HG3' ' O ' ' B' ' 44' ' ' PHE . 0.0 OUTLIER -119.86 55.71 0.97 Allowed 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 -177.944 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.563 ' NZ ' ' HA ' ' B' ' 46' ' ' ASP . 39.2 mttp -66.61 -43.36 85.02 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.113 -0.635 . . . . 0.0 111.436 171.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 39.1 p-10 -94.07 4.22 54.2 Favored 'General case' 0 CA--C 1.509 -0.619 0 CA-C-N 115.432 -0.804 . . . . 0.0 112.369 -171.114 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . 0.462 ' O ' HG12 ' B' ' 54' ' ' VAL . 16.5 t -85.14 122.04 37.76 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.89 0 C-N-CA 119.862 -0.735 . . . . 0.0 109.096 177.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -59.17 -35.06 72.87 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-O 121.334 0.588 . . . . 0.0 110.237 -177.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.75 -28.79 51.14 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.197 -0.91 . . . . 0.0 111.816 -177.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.462 HG12 ' O ' ' B' ' 51' ' ' VAL . 8.5 p -59.63 -46.84 92.84 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 C-N-CA 119.307 -0.957 . . . . 0.0 109.961 -178.379 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.571 ' O ' ' N ' ' B' ' 59' ' ' LYS . 10.6 t70 -59.38 -49.71 76.76 Favored 'General case' 0 CA--C 1.5 -0.973 0 C-N-CA 120.641 -0.424 . . . . 0.0 110.612 176.128 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . 0.426 ' HD2' ' N ' ' B' ' 56' ' ' LYS . 3.6 mptp? -63.5 -42.77 98.49 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-N 115.483 -0.78 . . . . 0.0 112.316 -174.713 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 64.4 t -63.44 -44.16 98.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 174.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' MET . . . . . 0.435 ' CG ' ' O ' ' B' ' 54' ' ' VAL . 11.0 mmm -62.53 -40.11 95.74 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.44 176.109 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . 0.571 ' N ' ' O ' ' B' ' 55' ' ' ASP . 2.5 tppm? -62.19 -42.0 98.87 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.401 -175.693 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -64.81 -37.38 87.41 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.193 176.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.563 ' O ' ' NZ ' ' B' ' 30' ' ' LYS . 1.3 mm? -62.26 -39.34 92.59 Favored 'General case' 0 C--N 1.309 -1.163 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 171.702 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.429 ' CG ' ' HZ2' ' B' ' 34' ' ' LYS . 56.0 m-20 -62.17 -38.02 87.48 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.907 174.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . 0.573 ' C ' ' H ' ' B' ' 65' ' ' GLY . 45.6 mt-10 -60.93 -40.4 93.1 Favored 'General case' 0 CA--C 1.501 -0.914 0 N-CA-C 107.872 -1.159 . . . . 0.0 107.872 175.297 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.541 HD22 ' CD ' ' B' ' 73' ' ' GLU . 9.3 t-20 -74.79 37.14 0.11 Allowed 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 114.789 -1.096 . . . . 0.0 109.684 171.73 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.573 ' H ' ' C ' ' B' ' 63' ' ' GLU . . . -105.82 19.17 39.09 Favored Glycine 0 CA--C 1.509 -0.341 0 N-CA-C 108.695 -1.762 . . . . 0.0 108.695 178.136 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -61.9 -37.76 85.82 Favored 'General case' 0 CA--C 1.512 -0.497 0 CA-C-N 115.117 -0.542 . . . . 0.0 109.977 -179.189 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -156.76 -65.14 0.01 OUTLIER Glycine 0 C--N 1.317 -0.502 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.437 179.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 79.6 mt-10 -138.71 165.53 26.73 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 122.897 0.479 . . . . 0.0 109.736 -175.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.493 HG11 ' HB3' ' B' ' 28' ' ' LEU . 2.2 p -118.56 131.28 71.81 Favored 'Isoleucine or valine' 0 C--O 1.241 0.634 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 173.239 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.421 ' CG ' ' N ' ' B' ' 71' ' ' PHE . 0.0 OUTLIER -92.45 175.93 6.65 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.773 0.32 . . . . 0.0 111.099 -174.188 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.421 ' N ' ' CG ' ' B' ' 70' ' ' ASP . 54.8 t80 -61.98 -46.17 90.41 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.003 0.43 . . . . 0.0 110.572 -178.342 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -60.62 -40.06 90.52 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.042 177.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.541 ' CD ' HD22 ' B' ' 64' ' ' ASN . 95.6 mt-10 -67.3 -42.33 83.91 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.057 174.053 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -62.42 -49.32 75.93 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.424 0.528 . . . . 0.0 112.424 177.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 34.6 m -64.83 -38.28 82.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 C-N-CA 119.669 -0.813 . . . . 0.0 112.318 -176.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 13.0 p -64.0 -36.69 77.64 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 C-N-CA 119.71 -0.796 . . . . 0.0 110.347 -178.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 49.6 tp -60.19 -49.11 78.91 Favored 'General case' 0 CA--C 1.507 -0.675 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.38 179.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 14.1 m -69.63 -43.24 80.44 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.048 0 C-N-CA 120.148 -0.621 . . . . 0.0 110.397 176.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.01 -48.55 81.25 Favored 'General case' 0 CA--C 1.514 -0.416 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.856 -179.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.62 -46.24 84.36 Favored 'General case' 0 CA--C 1.51 -0.584 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -178.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.409 ' O ' ' HB2' ' B' ' 85' ' ' MET . 93.7 mt -64.06 -43.11 96.48 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.512 176.373 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.404 HG21 ' CZ ' ' B' ' 44' ' ' PHE . 21.2 m -62.17 -50.45 71.8 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.571 -178.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 13.6 p -62.22 -46.48 96.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.469 -176.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.83 -51.6 66.41 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.607 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 85' ' ' MET . . . . . 0.415 ' SD ' ' HB1' ' B' ' 47' ' ' ALA . 2.4 tmm? -65.64 -45.82 81.58 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.499 179.702 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . 0.463 ' ND2' HG21 ' A' ' 12' ' ' ILE . 17.5 t30 -66.99 -45.92 76.17 Favored 'General case' 0 CA--C 1.513 -0.466 0 C-N-CA 120.031 -0.668 . . . . 0.0 112.652 -176.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -64.15 -39.76 94.69 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 120.396 -0.521 . . . . 0.0 109.868 -178.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -51.78 -24.43 5.94 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.151 -179.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . 0.405 ' HB2' ' O ' ' B' ' 86' ' ' ASN . 14.0 m-85 -59.41 -43.42 93.04 Favored 'General case' 0 CA--C 1.511 -0.536 0 C-N-CA 120.678 -0.409 . . . . 0.0 111.856 -179.538 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . 0.448 ' HB2' ' OH ' ' A' ' 26' ' ' TYR . 43.8 m95 -81.39 -83.29 0.12 Allowed 'General case' 0 C--N 1.315 -0.914 0 C-N-CA 120.654 -0.418 . . . . 0.0 112.004 -172.787 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . 0.46 ' CD ' ' HH ' ' A' ' 26' ' ' TYR . 21.2 mt-10 -108.19 -83.14 0.55 Allowed 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 119.455 -0.898 . . . . 0.0 112.08 -179.207 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . 0.403 ' OD1' ' N ' ' B' ' 93' ' ' SER . 18.6 t-20 -145.11 168.49 20.22 Favored 'General case' 0 CA--C 1.504 -0.818 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.487 176.229 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 93' ' ' SER . . . . . 0.403 ' N ' ' OD1' ' B' ' 92' ' ' ASN . 2.2 m . . . . . 0 C--N 1.326 -0.452 0 CA-C-O 118.69 -0.672 . . . . 0.0 110.604 173.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.25 0 N-CA-C 110.697 -0.961 . . . . 0.0 110.697 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 m -61.48 172.68 1.1 Allowed 'General case' 0 C--N 1.315 -0.927 0 CA-C-O 120.908 0.385 . . . . 0.0 110.813 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 7' ' ' ALA . 2.0 mp0 -52.14 -31.49 31.28 Favored 'General case' 0 CA--C 1.511 -0.526 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 -179.529 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.418 ' CD2' HG23 ' B' ' 14' ' ' VAL . 1.4 mm? -61.17 -43.48 98.82 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.166 -177.392 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 -65.44 -43.32 90.79 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 119.477 -0.889 . . . . 0.0 109.709 178.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.469 ' O ' ' N ' ' A' ' 10' ' ' THR . 19.1 m -62.51 -46.66 87.39 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.766 174.357 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 3' ' ' GLU . . . -56.19 -48.93 75.43 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.194 -179.61 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.501 ' SD ' HD11 ' B' ' 11' ' ' LEU . 97.3 mmm -64.47 -41.67 96.37 Favored 'General case' 0 CA--C 1.516 -0.348 0 C-N-CA 120.343 -0.543 . . . . 0.0 110.669 177.489 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -65.53 -34.32 77.99 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.078 -0.649 . . . . 0.0 111.434 176.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.469 ' N ' ' O ' ' A' ' 6' ' ' THR . 11.5 m -57.47 -44.32 84.75 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 176.387 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.468 HD12 ' SD ' ' B' ' 8' ' ' MET . 87.7 mt -62.97 -40.36 97.5 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.663 174.635 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 22.7 mm -62.57 -43.69 98.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 178.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -60.53 -47.28 86.87 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.028 -177.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.464 HG22 ' HA ' ' A' ' 11' ' ' LEU . 28.4 m -66.45 -39.97 85.37 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.668 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.425 176.397 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.426 ' CE1' ' HB2' ' A' ' 28' ' ' LEU . 73.1 t80 -59.13 -47.89 83.62 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.675 176.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 21.5 m-70 -64.66 -40.02 94.7 Favored 'General case' 0 C--O 1.238 0.465 0 C-N-CA 120.57 -0.452 . . . . 0.0 109.896 177.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.51 ' O ' ' NZ ' ' A' ' 21' ' ' LYS . . . -57.37 -50.48 72.84 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.529 179.188 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 83.1 m-70 -72.71 -36.04 67.73 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.866 178.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 70.5 m -57.26 -41.02 78.87 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.347 -0.541 . . . . 0.0 109.787 178.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.75 -5.54 13.76 Favored Glycine 0 CA--C 1.526 0.748 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.081 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.51 ' NZ ' ' O ' ' A' ' 17' ' ' ALA . 48.4 mmtm -95.86 -82.4 0.39 Allowed 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 117.221 0.511 . . . . 0.0 111.604 -177.453 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.413 ' CB ' ' HG ' ' A' ' 29' ' ' SER . 77.4 mm-40 -95.18 -17.17 21.99 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.806 -176.313 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -87.64 -175.04 48.44 Favored Glycine 0 C--N 1.314 -0.642 0 N-CA-C 111.683 -0.567 . . . . 0.0 111.683 -174.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.55 ' CG ' ' H ' ' A' ' 25' ' ' LYS . 51.7 t0 -82.54 -154.9 0.14 Allowed 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 107.478 -1.305 . . . . 0.0 107.478 176.504 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.55 ' H ' ' CG ' ' A' ' 24' ' ' ASP . 0.0 OUTLIER -56.43 -47.57 78.8 Favored 'General case' 0 CA--C 1.503 -0.835 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 175.784 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.483 ' CE2' ' HD3' ' A' ' 25' ' ' LYS . 1.5 p90 -138.85 93.92 2.76 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.386 174.36 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.448 ' NZ ' ' HB3' ' A' ' 70' ' ' ASP . 3.1 mmtt -163.63 157.15 19.01 Favored 'General case' 0 CA--C 1.503 -0.845 0 CA-C-N 114.91 -1.041 . . . . 0.0 109.45 173.148 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.426 ' HB2' ' CE1' ' A' ' 15' ' ' PHE . 33.1 tp -122.75 125.1 44.84 Favored 'General case' 0 N--CA 1.437 -1.079 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 175.738 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.413 ' HG ' ' CB ' ' A' ' 22' ' ' GLU . 11.5 p -83.91 164.76 19.22 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.131 178.782 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.566 ' NZ ' ' OD1' ' A' ' 64' ' ' ASN . 0.4 OUTLIER -70.68 -6.45 37.25 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 120.312 -0.555 . . . . 0.0 110.562 -177.425 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 35.4 mttt -77.86 -60.25 2.45 Favored 'General case' 0 CA--C 1.501 -0.911 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 178.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -61.77 -39.39 91.47 Favored 'General case' 0 N--CA 1.431 -1.398 0 CA-C-N 113.801 -1.545 . . . . 0.0 109.342 179.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -60.02 -47.95 83.71 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.555 -176.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.2 pttp -73.05 -44.5 60.65 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 119.317 -0.953 . . . . 0.0 110.799 178.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -61.52 -54.35 44.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.453 -179.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.426 ' HG ' ' N ' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -64.36 -43.65 93.86 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 178.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.436 ' HG ' ' CD2' ' A' ' 77' ' ' LEU . 3.1 tm? -61.51 -48.51 80.71 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.208 -0.597 . . . . 0.0 111.091 -176.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.479 ' HB2' ' CD2' ' A' ' 45' ' ' LEU . 14.1 pt20 -67.07 -41.13 86.95 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 119.767 -0.773 . . . . 0.0 110.439 178.172 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 98.6 m -63.47 -53.43 52.17 Favored 'General case' 0 N--CA 1.441 -0.903 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.308 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -75.34 -40.94 57.72 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 -173.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 11.2 mp -94.86 31.48 1.83 Allowed 'General case' 0 CA--C 1.505 -0.784 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 179.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.0 -33.81 67.52 Favored 'General case' 0 N--CA 1.434 -1.264 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.267 -177.286 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -63.83 -48.86 72.54 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 176.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.456 ' O ' ' NE2' ' A' ' 48' ' ' GLN . 52.0 m-85 -66.93 -45.52 77.6 Favored 'General case' 0 CA--C 1.492 -1.275 0 CA-C-O 121.687 0.756 . . . . 0.0 109.296 176.647 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.479 ' CD2' ' HB2' ' A' ' 38' ' ' GLN . 47.1 tp -61.47 -48.37 81.43 Favored 'General case' 0 N--CA 1.425 -1.708 0 CA-C-N 114.902 -1.045 . . . . 0.0 111.234 -177.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -63.59 -39.28 93.98 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.924 0.392 . . . . 0.0 110.837 176.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.49 -40.22 95.99 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.839 -0.619 . . . . 0.0 112.297 -176.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.456 ' NE2' ' O ' ' A' ' 44' ' ' PHE . 0.9 OUTLIER -129.58 43.5 3.12 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 114.463 1.283 . . . . 0.0 114.463 -174.831 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.462 ' HA ' HG11 ' A' ' 54' ' ' VAL . 54.1 mtmt -62.96 -40.12 96.74 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 119.271 -0.971 . . . . 0.0 109.496 172.684 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -65.79 -18.33 65.26 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.968 -1.014 . . . . 0.0 111.189 -177.081 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.466 ' C ' ' H ' ' A' ' 53' ' ' ALA . 75.6 t -67.71 -19.12 24.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 120.766 0.317 . . . . 0.0 110.44 -178.725 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 25.4 t70 66.6 -43.66 0.42 Allowed 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.565 -179.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.466 ' H ' ' C ' ' A' ' 51' ' ' VAL . . . -52.64 -28.16 20.25 Favored 'General case' 0 CA--C 1.514 -0.422 0 N-CA-C 110.124 -0.325 . . . . 0.0 110.124 179.659 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.491 ' O ' ' HG2' ' A' ' 58' ' ' MET . 7.4 p -58.46 -46.93 89.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.865 177.757 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.499 ' O ' ' N ' ' A' ' 59' ' ' LYS . 30.8 t70 -61.36 -41.38 96.97 Favored 'General case' 0 CA--C 1.505 -0.785 0 CA-C-O 121.708 0.766 . . . . 0.0 109.099 174.793 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 30.7 mmtp -65.06 -40.91 95.4 Favored 'General case' 0 C--N 1.308 -1.209 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.358 -175.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 55.7 t -61.24 -42.55 93.9 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 173.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.491 ' HG2' ' O ' ' A' ' 54' ' ' VAL . 74.2 mmm -60.39 -39.48 87.44 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 174.166 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 55' ' ' ASP . 47.0 tptt -63.34 -40.77 98.19 Favored 'General case' 0 N--CA 1.441 -0.902 0 CA-C-N 115.285 -0.871 . . . . 0.0 109.728 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -57.13 -40.76 77.79 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 177.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.4 ' HG ' HD22 ' A' ' 77' ' ' LEU . 1.3 mm? -64.72 -38.7 91.9 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.666 171.039 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.465 ' O ' ' N ' ' A' ' 65' ' ' GLY . 19.1 t70 -63.73 -37.4 87.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.486 178.441 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 59' ' ' LYS . 79.9 mm-40 -58.95 -35.94 73.97 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 106.459 -1.682 . . . . 0.0 106.459 175.187 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.566 ' OD1' ' NZ ' ' A' ' 30' ' ' LYS . 14.8 t-20 -84.03 9.9 11.3 Favored 'General case' 0 C--N 1.307 -1.246 0 CA-C-N 113.789 -1.551 . . . . 0.0 109.453 176.759 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . -76.46 -3.36 77.51 Favored Glycine 0 C--O 1.239 0.418 0 N-CA-C 110.658 -0.977 . . . . 0.0 110.658 -178.759 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -61.37 -39.23 89.88 Favored 'General case' 0 CA--C 1.512 -0.485 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -134.57 -136.33 3.63 Favored Glycine 0 C--O 1.241 0.532 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 179.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -108.04 168.76 9.06 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.479 0.657 . . . . 0.0 112.417 -177.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.466 ' CG2' ' HB2' ' A' ' 73' ' ' GLU . 0.2 OUTLIER -120.32 135.69 59.77 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.976 0 CA-C-N 114.887 -1.051 . . . . 0.0 109.449 179.206 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.448 ' HB3' ' NZ ' ' A' ' 27' ' ' LYS . 3.3 p30 -105.48 -162.5 0.88 Allowed 'General case' 0 CA--C 1.502 -0.888 0 C-N-CA 120.036 -0.665 . . . . 0.0 110.132 175.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.48 ' CE2' HG11 ' A' ' 75' ' ' VAL . 46.9 t80 -59.77 -43.72 94.22 Favored 'General case' 0 C--N 1.297 -1.714 0 C-N-CA 120.175 -0.61 . . . . 0.0 109.457 -175.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -60.9 -47.85 84.51 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.143 179.08 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.466 ' HB2' ' CG2' ' A' ' 69' ' ' VAL . 52.1 mp0 -67.64 -36.57 81.02 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 119.003 -1.079 . . . . 0.0 110.054 176.236 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -62.54 -49.2 76.27 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 112.554 0.576 . . . . 0.0 112.554 178.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.48 HG11 ' CE2' ' A' ' 71' ' ' PHE . 24.3 m -64.81 -38.76 83.55 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 -176.162 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 10.0 p -63.22 -36.84 77.65 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.697 0 C-N-CA 120.032 -0.667 . . . . 0.0 110.665 -178.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.436 ' CD2' ' HG ' ' A' ' 37' ' ' LEU . 52.0 tp -61.45 -49.52 76.48 Favored 'General case' 0 CA--C 1.513 -0.453 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.892 179.704 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 11.2 m -68.67 -42.73 83.36 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.864 0 C-N-CA 119.944 -0.702 . . . . 0.0 110.335 178.261 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.552 ' CB ' HG22 ' B' ' 75' ' ' VAL . . . -61.55 -48.23 81.95 Favored 'General case' 0 CA--C 1.507 -0.71 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.567 179.625 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.06 -47.68 77.5 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-O 121.221 0.534 . . . . 0.0 109.6 -178.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 97.8 mt -63.28 -42.58 99.11 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.808 176.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.415 ' O ' ' HB2' ' A' ' 86' ' ' ASN . 19.9 m -63.34 -51.56 65.45 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 120.601 -0.44 . . . . 0.0 110.546 -179.207 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 6.7 p -63.81 -43.66 97.95 Favored 'Isoleucine or valine' 0 C--O 1.237 0.447 0 C-N-CA 120.116 -0.634 . . . . 0.0 111.202 178.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.02 -53.75 54.55 Favored 'General case' 0 N--CA 1.446 -0.639 0 C-N-CA 120.187 -0.605 . . . . 0.0 110.632 178.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.449 ' O ' ' HB3' ' A' ' 88' ' ' PHE . 18.4 ttp -70.0 -40.63 75.18 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 119.669 -0.812 . . . . 0.0 111.14 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.471 ' CG ' HG23 ' B' ' 12' ' ' ILE . 5.4 t-20 -62.7 -40.84 98.41 Favored 'General case' 0 CA--C 1.512 -0.512 0 C-N-CA 120.222 -0.591 . . . . 0.0 110.781 -177.631 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -59.83 -33.69 72.1 Favored 'General case' 0 CA--C 1.511 -0.528 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.75 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.449 ' HB3' ' O ' ' A' ' 85' ' ' MET . 57.9 t80 -53.52 -45.2 69.68 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.49 177.747 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.425 ' O ' ' HB2' ' A' ' 93' ' ' SER . 47.7 m-85 -59.42 -46.65 88.13 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.009 179.532 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 37.8 m95 -74.13 -38.79 63.68 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-O 120.623 0.249 . . . . 0.0 111.478 -178.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.419 ' CD ' ' HH ' ' B' ' 26' ' ' TYR . 98.5 mt-10 -68.73 -47.14 67.09 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.977 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -128.75 122.2 30.09 Favored 'General case' 0 CA--C 1.506 -0.734 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.543 -176.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.425 ' HB2' ' O ' ' A' ' 89' ' ' PHE . 0.9 OUTLIER . . . . . 0 C--N 1.31 -1.134 0 CA-C-O 118.332 -0.842 . . . . 0.0 110.304 -176.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 110.137 -1.185 . . . . 0.0 110.137 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 58.9 m -76.32 158.17 31.76 Favored 'General case' 0 C--N 1.315 -0.928 0 N-CA-C 111.81 0.3 . . . . 0.0 111.81 -175.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.404 ' H ' ' CD ' ' B' ' 3' ' ' GLU . 45.7 mp0 -54.29 -27.23 34.01 Favored 'General case' 0 CA--C 1.51 -0.573 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 175.279 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.427 ' O ' ' HG2' ' B' ' 8' ' ' MET . 95.4 mt -61.13 -40.49 94.02 Favored 'General case' 0 N--CA 1.434 -1.244 0 CA-C-N 114.278 -1.328 . . . . 0.0 109.083 -177.781 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -63.38 -43.45 97.58 Favored 'General case' 0 N--CA 1.443 -0.795 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 177.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 7.6 m -62.5 -46.54 87.96 Favored 'General case' 0 C--O 1.24 0.597 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 175.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.81 -48.73 74.89 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.115 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' MET . . . . . 0.468 ' SD ' HD12 ' A' ' 11' ' ' LEU . 93.7 mmm -64.32 -42.45 96.31 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.918 179.389 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -65.93 -35.08 79.64 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 119.917 -0.713 . . . . 0.0 110.871 176.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 18.8 m -57.7 -44.45 85.87 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 178.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.501 HD11 ' SD ' ' A' ' 8' ' ' MET . 76.8 mt -62.34 -41.84 98.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.431 174.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.487 HD12 ' CD2' ' B' ' 71' ' ' PHE . 16.1 mm -62.8 -44.27 99.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 56.6 m-80 -61.6 -41.89 98.09 Favored 'General case' 0 CA--C 1.51 -0.581 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 -178.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . 0.418 HG23 ' CD2' ' A' ' 4' ' ' LEU . 54.1 t -64.75 -44.56 96.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.883 174.058 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.418 ' CE1' ' HB2' ' B' ' 28' ' ' LEU . 77.1 t80 -58.32 -48.29 80.99 Favored 'General case' 0 N--CA 1.446 -0.648 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 179.249 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.417 ' CD2' ' CG2' ' B' ' 12' ' ' ILE . 46.5 m-70 -60.93 -41.84 97.02 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.601 176.561 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.93 -45.49 71.22 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.025 -178.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -75.46 -36.03 60.77 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.644 176.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 69.8 m -57.37 -41.6 80.5 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 120.39 -0.524 . . . . 0.0 109.631 179.052 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.11 -21.94 54.3 Favored Glycine 0 CA--C 1.527 0.802 0 N-CA-C 111.139 -0.785 . . . . 0.0 111.139 177.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -79.66 -75.81 0.24 Allowed 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 -176.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 53.9 mm-40 -116.58 -3.76 11.78 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 -176.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -90.34 165.03 31.08 Favored Glycine 0 CA--C 1.526 0.757 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.67 -174.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . 0.478 ' H ' ' HB2' ' B' ' 27' ' ' LYS . 24.1 t0 -86.86 122.27 30.5 Favored 'General case' 0 CA--C 1.519 -0.233 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 175.543 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.491 ' HD2' ' CE1' ' B' ' 26' ' ' TYR . 7.2 pttm 35.26 -94.27 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.76 0 O-C-N 123.21 0.319 . . . . 0.0 110.544 -175.406 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.491 ' CE1' ' HD2' ' B' ' 25' ' ' LYS . 2.4 p90 -110.03 92.66 4.13 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 171.618 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.478 ' HB2' ' H ' ' B' ' 24' ' ' ASP . 9.6 mmmm -157.97 159.19 36.21 Favored 'General case' 0 C--N 1.309 -1.163 0 N-CA-C 108.32 -0.992 . . . . 0.0 108.32 176.517 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.457 ' CD2' HD23 ' B' ' 33' ' ' LEU . 43.0 tp -124.49 127.38 47.38 Favored 'General case' 0 C--N 1.307 -1.243 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.005 178.353 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.89 158.4 20.6 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 177.622 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.471 ' NZ ' ' O ' ' B' ' 61' ' ' LEU . 12.2 mmmm -71.31 -8.95 57.09 Favored 'General case' 0 CA--C 1.515 -0.385 0 C-N-CA 119.582 -0.847 . . . . 0.0 109.56 -179.339 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.454 ' O ' ' HG2' ' B' ' 35' ' ' GLU . 58.9 mttt -68.66 -52.47 30.79 Favored 'General case' 0 CA--C 1.498 -1.048 0 N-CA-C 107.489 -1.3 . . . . 0.0 107.489 177.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -73.58 -41.66 62.6 Favored 'General case' 0 N--CA 1.434 -1.225 0 CA-C-N 112.864 -1.971 . . . . 0.0 111.063 -177.34 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.457 HD23 ' CD2' ' B' ' 28' ' ' LEU . 2.7 tm? -59.51 -44.52 93.12 Favored 'General case' 0 CA--C 1.513 -0.478 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.848 -172.737 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.476 ' HG3' ' N ' ' B' ' 35' ' ' GLU . 16.6 pttp -62.45 -45.2 94.13 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 119.143 -1.023 . . . . 0.0 110.199 177.577 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . 0.476 ' N ' ' HG3' ' B' ' 34' ' ' LYS . 66.6 mm-40 -63.81 -47.64 80.02 Favored 'General case' 0 CA--C 1.507 -0.709 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 18.2 tp -59.73 -49.78 76.4 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-N 114.414 -1.266 . . . . 0.0 111.731 178.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -64.34 -47.02 80.97 Favored 'General case' 0 C--N 1.309 -1.186 0 C-N-CA 120.577 -0.449 . . . . 0.0 111.131 -177.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.408 ' HG2' ' O ' ' B' ' 34' ' ' LYS . 12.5 pt20 -69.15 -42.9 75.35 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 119.475 -0.89 . . . . 0.0 110.954 177.06 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.465 ' CB ' ' O ' ' B' ' 35' ' ' GLU . 81.2 m -63.93 -50.89 66.9 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.175 -178.086 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -85.17 -25.17 27.57 Favored 'General case' 0 CA--C 1.516 -0.354 0 N-CA-C 113.523 0.934 . . . . 0.0 113.523 -172.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 7.6 mp -109.89 30.48 6.66 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 120.624 0.25 . . . . 0.0 110.499 176.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 32.5 m -51.44 -39.35 57.19 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.73 0.3 . . . . 0.0 110.398 -177.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -63.98 -49.53 66.83 Favored Glycine 0 N--CA 1.446 -0.674 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 178.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.612 ' HA ' ' SD ' ' B' ' 85' ' ' MET . 45.9 m-85 -64.77 -44.91 88.49 Favored 'General case' 0 CA--C 1.495 -1.156 0 CA-C-O 121.366 0.603 . . . . 0.0 110.294 178.423 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 11.2 tp -61.32 -47.51 85.58 Favored 'General case' 0 C--N 1.306 -1.286 0 CA-C-N 114.969 -1.014 . . . . 0.0 111.498 178.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -71.31 -40.35 70.87 Favored 'General case' 0 C--N 1.305 -1.335 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.314 -178.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . 0.496 ' HB2' ' SD ' ' B' ' 85' ' ' MET . . . -61.22 -41.79 97.47 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.669 -0.412 . . . . 0.0 110.87 -179.069 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.31 42.34 2.99 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 121.088 0.471 . . . . 0.0 111.373 178.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.71 -40.91 96.71 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.755 177.158 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -81.25 -2.91 50.67 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 114.83 -1.077 . . . . 0.0 111.014 -172.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 57.8 t -86.04 131.05 35.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 -179.049 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -57.29 -40.22 77.34 Favored 'General case' 0 CA--C 1.508 -0.666 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.055 -177.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.28 -25.45 9.47 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.139 -178.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.429 ' CG1' ' N ' ' B' ' 55' ' ' ASP . 0.8 OUTLIER -60.15 -47.44 92.01 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 C-N-CA 120.25 -0.58 . . . . 0.0 110.076 179.348 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.563 ' O ' ' N ' ' B' ' 59' ' ' LYS . 32.8 t70 -63.61 -41.4 98.32 Favored 'General case' 0 CA--C 1.499 -0.987 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 174.81 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . 0.424 ' O ' ' HG3' ' B' ' 60' ' ' GLU . 18.6 mmtp -64.38 -44.25 91.92 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.82 -172.737 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . 0.404 HG11 ' CD1' ' B' ' 77' ' ' LEU . 90.0 t -63.56 -42.79 97.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 174.222 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 76.4 mmm -61.8 -40.55 95.61 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.219 -0.901 . . . . 0.0 108.835 177.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . 0.563 ' N ' ' O ' ' B' ' 55' ' ' ASP . 0.0 OUTLIER -63.07 -42.46 99.67 Favored 'General case' 0 N--CA 1.436 -1.175 0 CA-C-N 114.886 -1.052 . . . . 0.0 110.19 -177.867 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . 0.424 ' HG3' ' O ' ' B' ' 56' ' ' LYS . 90.0 mt-10 -56.9 -44.17 82.07 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.471 ' O ' ' NZ ' ' B' ' 30' ' ' LYS . 3.1 mm? -64.05 -38.44 91.09 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.53 170.703 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -62.32 -40.83 97.61 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.336 177.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . 0.495 ' HG2' ' O ' ' B' ' 59' ' ' LYS . 56.1 mm-40 -60.87 -40.73 94.1 Favored 'General case' 0 CA--C 1.513 -0.471 0 N-CA-C 106.632 -1.618 . . . . 0.0 106.632 176.113 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.552 HD21 ' CD ' ' B' ' 73' ' ' GLU . 21.3 t-20 -80.87 35.01 0.36 Allowed 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 114.453 -1.248 . . . . 0.0 109.859 174.502 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.445 ' H ' ' C ' ' B' ' 63' ' ' GLU . . . -96.29 18.32 57.68 Favored Glycine 0 N--CA 1.461 0.327 0 N-CA-C 109.392 -1.483 . . . . 0.0 109.392 178.055 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -61.53 -38.93 89.21 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 123.198 0.599 . . . . 0.0 110.862 -177.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -157.31 -82.49 0.04 OUTLIER Glycine 0 C--N 1.316 -0.533 0 N-CA-C 110.733 -0.947 . . . . 0.0 110.733 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -128.44 167.87 16.42 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 120.972 0.415 . . . . 0.0 110.703 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.429 HG12 ' HB3' ' B' ' 28' ' ' LEU . 0.2 OUTLIER -117.86 132.73 66.82 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.291 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 176.2 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -92.05 177.3 6.21 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.48 -175.238 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.487 ' CD2' HD12 ' B' ' 12' ' ' ILE . 82.4 t80 -60.87 -45.23 95.39 Favored 'General case' 0 C--N 1.32 -0.717 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.613 -178.811 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -60.74 -40.64 93.16 Favored 'General case' 0 N--CA 1.436 -1.148 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 -178.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.552 ' CD ' HD21 ' B' ' 64' ' ' ASN . 24.6 tp10 -66.41 -39.73 89.17 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.388 -0.823 . . . . 0.0 109.626 176.004 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -60.45 -47.82 84.46 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.883 179.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . 0.552 HG22 ' CB ' ' A' ' 79' ' ' ALA . 28.9 m -63.39 -41.18 91.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 C-N-CA 119.97 -0.692 . . . . 0.0 112.103 -177.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . 0.421 ' N ' HG23 ' B' ' 75' ' ' VAL . 8.7 p -63.98 -38.83 83.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 C-N-CA 120.567 -0.453 . . . . 0.0 111.378 -176.507 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . 0.404 ' CD1' HG11 ' B' ' 57' ' ' VAL . 38.6 tp -60.45 -49.95 75.53 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-O 121.247 0.546 . . . . 0.0 109.572 178.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 16.7 m -71.28 -41.62 74.48 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.917 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.05 178.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.08 -43.94 97.75 Favored 'General case' 0 CA--C 1.505 -0.764 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.036 -179.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . 0.41 ' O ' HG13 ' B' ' 83' ' ' VAL . . . -58.02 -47.59 82.62 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 178.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 82.4 mt -63.1 -42.55 99.61 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.557 176.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 14.9 m -62.15 -52.1 65.2 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 120.429 -0.508 . . . . 0.0 110.254 -179.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . 0.461 ' HB ' ' CD2' ' A' ' 71' ' ' PHE . 7.5 p -66.02 -43.53 92.5 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 C-N-CA 120.633 -0.427 . . . . 0.0 111.406 177.81 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.27 -54.72 43.58 Favored 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.323 -179.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 85' ' ' MET . . . . . 0.612 ' SD ' ' HA ' ' B' ' 44' ' ' PHE . 29.4 ttp -69.14 -45.27 70.52 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 -179.247 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -64.19 -46.75 82.56 Favored 'General case' 0 CA--C 1.513 -0.477 0 N-CA-C 112.146 0.425 . . . . 0.0 112.146 -174.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 18.0 t30 -62.01 -33.76 74.94 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.501 -0.48 . . . . 0.0 111.48 -176.043 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -52.8 -43.4 65.87 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 178.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 -61.29 -41.54 97.15 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.604 -179.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 74.4 m95 -69.78 -45.33 68.22 Favored 'General case' 0 CA--C 1.51 -0.59 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 176.138 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 71.8 mt-10 -65.87 -44.78 84.36 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.483 -178.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 58.2 t-20 -97.42 100.62 12.06 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 176.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 C--O 1.206 -1.208 0 CA-C-O 118.503 -0.76 . . . . 0.0 110.052 -174.587 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.462 0.425 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m -71.11 166.65 20.97 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 179.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -62.26 -38.23 88.49 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 174.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -61.14 -44.14 97.78 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 176.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -66.01 -42.31 89.84 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 115.129 -0.942 . . . . 0.0 109.267 177.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.417 ' O ' ' N ' ' A' ' 10' ' ' THR . 7.3 m -61.15 -46.14 91.75 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 109.06 -0.718 . . . . 0.0 109.06 176.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.54 -48.84 78.21 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.073 178.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.485 ' SD ' ' HB ' ' B' ' 78' ' ' VAL . 1.1 mtp -61.78 -44.15 97.44 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.106 -0.638 . . . . 0.0 109.681 179.452 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -62.8 -37.2 85.8 Favored 'General case' 0 CA--C 1.511 -0.55 0 C-N-CA 120.563 -0.455 . . . . 0.0 111.498 176.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.417 ' N ' ' O ' ' A' ' 6' ' ' THR . 9.9 m -59.92 -46.64 88.73 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 176.721 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 85.5 mt -64.17 -41.76 96.99 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.711 175.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.43 HG12 ' O ' ' A' ' 8' ' ' MET . 21.0 mm -62.21 -44.41 99.06 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 -179.282 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -62.47 -44.62 95.96 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.294 -178.2 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 77.2 t -64.18 -45.03 97.52 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.9 175.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -59.15 -46.37 88.55 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.731 178.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.537 ' NE2' ' OD1' ' B' ' 86' ' ' ASN . 2.1 m-70 -65.06 -41.15 95.37 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.902 179.569 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.426 ' O ' ' HG3' ' A' ' 21' ' ' LYS . . . -52.91 -49.69 65.45 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -70.06 -37.58 75.55 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.701 176.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.478 ' HB3' ' HA ' ' A' ' 26' ' ' TYR . 37.5 m -54.93 -44.5 74.31 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 119.932 -0.707 . . . . 0.0 109.223 178.791 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.72 -35.43 89.74 Favored Glycine 0 C--O 1.222 -0.596 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 179.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.426 ' HG3' ' O ' ' A' ' 17' ' ' ALA . 62.2 mttm -63.97 -41.07 97.65 Favored 'General case' 0 C--O 1.242 0.683 0 O-C-N 122.843 -0.21 . . . . 0.0 111.431 -178.046 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.566 ' CD ' ' HG ' ' A' ' 29' ' ' SER . 1.8 mt-10 -98.06 -25.27 15.0 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -176.706 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 121.03 -160.03 15.44 Favored Glycine 0 N--CA 1.463 0.46 0 C-N-CA 121.075 -0.583 . . . . 0.0 111.752 177.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.5 t70 64.88 162.92 0.14 Allowed 'General case' 0 C--O 1.24 0.588 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 -175.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.438 ' C ' ' CD2' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -62.65 -49.48 74.99 Favored 'General case' 0 CA--C 1.506 -0.72 0 C-N-CA 119.613 -0.835 . . . . 0.0 109.369 179.302 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.496 ' CE1' ' HA ' ' B' ' 87' ' ' ASN . 0.2 OUTLIER -167.55 94.08 0.42 Allowed 'General case' 0 C--N 1.312 -1.026 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.121 172.018 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.7 mmmm -148.42 161.03 42.41 Favored 'General case' 0 C--N 1.31 -1.123 0 N-CA-C 107.148 -1.427 . . . . 0.0 107.148 173.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 49.7 tp -122.59 131.34 53.78 Favored 'General case' 0 C--N 1.301 -1.52 0 CA-C-O 121.13 0.49 . . . . 0.0 109.921 -179.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.566 ' HG ' ' CD ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -97.19 179.62 4.84 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.007 178.458 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.578 ' NZ ' ' O ' ' A' ' 62' ' ' ASP . 4.7 mmmm -81.87 15.35 2.27 Favored 'General case' 0 C--N 1.314 -0.958 0 C-N-CA 120.545 -0.462 . . . . 0.0 111.578 -175.721 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.5 mttm -91.63 -67.34 0.86 Allowed 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.124 0.488 . . . . 0.0 109.964 -179.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -66.51 -34.82 78.78 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.412 178.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -54.76 -46.19 74.33 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -168.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.559 ' NZ ' ' CB ' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -61.01 -47.93 84.18 Favored 'General case' 0 CA--C 1.501 -0.921 0 C-N-CA 119.313 -0.955 . . . . 0.0 108.788 -179.857 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.443 ' HA ' HE21 ' A' ' 38' ' ' GLN . 18.8 mm-40 -67.69 -44.05 78.68 Favored 'General case' 0 N--CA 1.431 -1.402 0 CA-C-N 114.307 -1.315 . . . . 0.0 109.207 -176.177 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.6 tp -60.09 -49.38 77.88 Favored 'General case' 0 C--N 1.306 -1.321 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.832 176.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -63.94 -47.6 79.87 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 120.043 -0.663 . . . . 0.0 111.471 -177.309 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.443 HE21 ' HA ' ' A' ' 35' ' ' GLU . 29.0 pt20 -65.96 -41.27 91.42 Favored 'General case' 0 CA--C 1.511 -0.522 0 C-N-CA 119.338 -0.945 . . . . 0.0 110.593 178.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 95.5 m -63.51 -53.22 55.42 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 115.653 -0.703 . . . . 0.0 112.146 -177.2 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -73.81 -40.25 63.5 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 -174.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.1 mp -97.58 41.03 1.13 Allowed 'General case' 0 CA--C 1.508 -0.673 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.776 -178.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 73.0 m -52.54 -41.79 63.82 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.384 -178.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.51 -46.07 57.03 Favored Glycine 0 CA--C 1.522 0.495 0 C-N-CA 121.287 -0.482 . . . . 0.0 112.111 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.711 ' HA ' ' SD ' ' A' ' 85' ' ' MET . 59.3 m-85 -69.18 -39.77 78.5 Favored 'General case' 0 CA--C 1.488 -1.432 0 CA-C-O 121.432 0.634 . . . . 0.0 109.99 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 55.8 tp -61.47 -44.11 97.67 Favored 'General case' 0 N--CA 1.423 -1.808 0 CA-C-N 114.93 -1.032 . . . . 0.0 110.482 -179.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -55.69 -51.26 67.91 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.086 -177.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.523 ' HB2' ' SD ' ' A' ' 85' ' ' MET . . . -68.89 -40.4 79.23 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.732 179.159 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 60.1 mm-40 -65.97 -29.26 69.62 Favored 'General case' 0 CA--C 1.511 -0.523 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -176.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.2 mmtp -59.17 -39.85 83.79 Favored 'General case' 0 C--N 1.311 -1.102 0 C-N-CA 120.088 -0.645 . . . . 0.0 110.844 179.228 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -69.92 -8.13 46.19 Favored 'General case' 0 C--N 1.313 -1.006 0 C-N-CA 120.611 -0.436 . . . . 0.0 110.839 177.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 62.0 t -105.94 131.54 55.24 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 -177.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -61.04 -37.5 82.83 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.104 0.478 . . . . 0.0 110.941 -178.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.83 -25.17 7.22 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.496 -174.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 13.3 p -59.85 -42.22 88.35 Favored 'Isoleucine or valine' 0 C--O 1.24 0.577 0 C-N-CA 120.079 -0.648 . . . . 0.0 109.904 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.411 ' O ' ' N ' ' A' ' 59' ' ' LYS . 34.3 t70 -59.17 -49.22 78.7 Favored 'General case' 0 CA--C 1.504 -0.819 0 CA-C-O 121.619 0.723 . . . . 0.0 109.888 177.369 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 50.7 mttp -64.11 -42.45 96.86 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-N 114.33 -1.305 . . . . 0.0 112.43 -175.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 71.6 t -66.69 -47.53 82.87 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.805 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 178.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.409 ' O ' ' N ' ' A' ' 62' ' ' ASP . 64.5 ttp -61.89 -39.16 90.97 Favored 'General case' 0 N--CA 1.43 -1.438 0 CA-C-N 114.375 -1.284 . . . . 0.0 110.473 178.722 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 55' ' ' ASP . 1.5 ttpt -63.03 -49.49 74.41 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.28 -178.661 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -64.74 -43.34 93.67 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.227 -0.589 . . . . 0.0 110.849 179.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.4 ' HG ' HD13 ' A' ' 77' ' ' LEU . 2.3 mm? -62.82 -39.75 95.26 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.866 174.66 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.578 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . 37.2 t0 -60.86 -45.1 95.86 Favored 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.277 176.594 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -64.2 -43.33 95.38 Favored 'General case' 0 CA--C 1.513 -0.473 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 178.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.523 ' C ' ' H ' ' A' ' 66' ' ' ASP . 13.3 t-20 -63.3 -41.86 99.0 Favored 'General case' 0 C--N 1.313 -1.015 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 179.356 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.433 ' HA3' ' HD3' ' A' ' 30' ' ' LYS . . . -71.72 41.29 0.68 Allowed Glycine 0 C--N 1.319 -0.364 0 N-CA-C 110.083 -1.207 . . . . 0.0 110.083 176.668 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.523 ' H ' ' C ' ' A' ' 64' ' ' ASN . 35.1 t70 -62.37 -39.68 93.97 Favored 'General case' 0 CA--C 1.501 -0.915 0 CA-C-O 121.225 0.536 . . . . 0.0 109.558 -179.538 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -116.22 -62.51 0.34 Allowed Glycine 0 C--N 1.31 -0.911 0 N-CA-C 109.307 -1.517 . . . . 0.0 109.307 176.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -135.38 157.6 46.48 Favored 'General case' 0 C--N 1.314 -0.958 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 176.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 1.5 p -113.19 124.38 69.77 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.235 0 N-CA-C 106.625 -1.62 . . . . 0.0 106.625 170.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.604 ' CG ' ' H ' ' A' ' 71' ' ' PHE . 14.0 t70 -92.62 179.36 5.52 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.604 -173.251 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.604 ' H ' ' CG ' ' A' ' 70' ' ' ASP . 58.6 t80 -58.42 -43.57 88.72 Favored 'General case' 0 C--N 1.306 -1.283 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 -179.574 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -59.32 -43.79 92.66 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.897 179.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -66.31 -38.93 88.84 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.277 0.56 . . . . 0.0 109.944 175.054 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 43.4 t80 -60.82 -48.07 83.46 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.339 -179.025 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.47 HG21 ' N ' ' A' ' 76' ' ' VAL . 13.5 m -64.57 -41.89 93.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 C-N-CA 119.846 -0.742 . . . . 0.0 112.064 179.766 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.47 ' N ' HG21 ' A' ' 75' ' ' VAL . 14.7 p -65.41 -40.1 87.3 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 C-N-CA 120.02 -0.672 . . . . 0.0 111.057 -179.4 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.4 HD13 ' HG ' ' A' ' 61' ' ' LEU . 48.0 tp -60.89 -48.67 80.76 Favored 'General case' 0 CA--C 1.509 -0.62 0 C-N-CA 120.571 -0.452 . . . . 0.0 110.345 179.519 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 13.6 m -69.4 -42.73 81.18 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.84 0 C-N-CA 120.115 -0.634 . . . . 0.0 110.843 178.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.94 -42.6 99.86 Favored 'General case' 0 CA--C 1.508 -0.647 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.481 179.51 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.79 -49.23 75.95 Favored 'General case' 0 CA--C 1.51 -0.585 0 CA-C-O 121.371 0.605 . . . . 0.0 109.87 -178.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 90.7 mt -63.08 -41.19 99.36 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.153 -0.93 . . . . 0.0 109.334 176.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.439 ' O ' ' HB2' ' A' ' 86' ' ' ASN . 23.4 m -61.75 -51.75 67.04 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.219 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 7.3 p -63.16 -44.9 99.63 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.409 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.627 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.31 -51.71 68.3 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.23 178.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.711 ' SD ' ' HA ' ' A' ' 44' ' ' PHE . 26.2 ttp -68.16 -42.72 79.61 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 119.761 -0.776 . . . . 0.0 110.627 179.606 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.439 ' HB2' ' O ' ' A' ' 82' ' ' THR . 0.4 OUTLIER -48.84 -29.64 4.86 Favored 'General case' 0 CA--C 1.501 -0.92 0 C-N-CA 120.545 -0.462 . . . . 0.0 110.874 -176.073 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -46.66 -38.78 10.26 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.619 176.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.45 ' HA ' ' O ' ' A' ' 92' ' ' ASN . 63.5 m-85 -63.09 -43.54 98.22 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.247 177.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 15.3 m-30 -61.44 -48.44 81.15 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.21 -176.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.451 ' CE2' ' ND1' ' B' ' 16' ' ' HIS . 25.4 m95 -86.27 -46.39 10.38 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -176.304 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.516 ' CD ' ' HZ3' ' B' ' 25' ' ' LYS . 77.0 mt-10 -107.75 -64.65 1.18 Allowed 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 114.263 1.209 . . . . 0.0 114.263 -173.387 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.45 ' O ' ' HA ' ' A' ' 88' ' ' PHE . 63.2 t-20 -84.03 100.05 10.83 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 119.791 -0.763 . . . . 0.0 110.76 -173.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.199 -1.574 0 CA-C-O 118.379 -0.82 . . . . 0.0 110.246 -176.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.374 0 N-CA-C 110.421 -1.072 . . . . 0.0 110.421 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 28.0 m -72.71 152.69 41.53 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 -178.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 56.1 mp0 -53.55 -20.41 4.96 Favored 'General case' 0 CA--C 1.517 -0.316 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 177.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.454 ' O ' ' HG2' ' B' ' 8' ' ' MET . 77.2 mt -61.59 -41.23 97.12 Favored 'General case' 0 N--CA 1.437 -1.124 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 177.615 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -61.8 -43.81 98.11 Favored 'General case' 0 N--CA 1.445 -0.713 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 178.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.408 ' O ' ' N ' ' B' ' 10' ' ' THR . 9.9 m -61.44 -43.53 98.7 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.47 174.636 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.94 -47.06 87.32 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.955 177.048 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' MET . . . . . 0.454 ' HG2' ' O ' ' B' ' 4' ' ' LEU . 97.3 mmm -63.69 -39.88 95.41 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 178.066 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . 0.448 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 50.4 mm-40 -61.14 -40.89 95.55 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 173.12 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' THR . . . . . 0.408 ' N ' ' O ' ' B' ' 6' ' ' THR . 7.5 m -60.6 -44.62 96.08 Favored 'General case' 0 N--CA 1.443 -0.795 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 176.489 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 87.4 mt -62.58 -43.49 98.67 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.034 176.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.6 HG23 ' CD2' ' B' ' 16' ' ' HIS . 11.0 mm -63.32 -44.75 99.24 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.16 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 178.553 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 49.0 m-80 -62.47 -43.51 98.63 Favored 'General case' 0 CA--C 1.504 -0.789 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.537 -178.468 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 85.0 t -64.69 -46.6 91.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 176.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.493 ' CE1' ' HB2' ' B' ' 28' ' ' LEU . 75.9 t80 -58.94 -47.68 84.19 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.323 179.272 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.6 ' CD2' HG23 ' B' ' 12' ' ' ILE . 9.8 m-70 -60.63 -39.36 87.99 Favored 'General case' 0 CA--C 1.505 -0.762 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.805 177.449 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . 0.501 ' O ' ' HG2' ' B' ' 21' ' ' LYS . . . -54.07 -51.4 64.22 Favored 'General case' 0 C--N 1.318 -0.794 0 C-N-CA 120.121 -0.632 . . . . 0.0 109.618 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.429 ' CE1' ' HB2' ' B' ' 36' ' ' LEU . 98.5 m-70 -66.95 -39.96 87.41 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.08 177.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.439 ' O ' ' N ' ' B' ' 23' ' ' GLY . 47.1 m -56.6 -41.57 77.25 Favored 'General case' 0 CA--C 1.517 -0.29 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 173.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' B' ' 16' ' ' HIS . . . -62.88 -39.93 98.63 Favored Glycine 0 N--CA 1.449 -0.494 0 N-CA-C 110.552 -1.019 . . . . 0.0 110.552 176.606 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . 0.501 ' HG2' ' O ' ' B' ' 17' ' ' ALA . 75.6 mmtt -63.2 -47.42 82.63 Favored 'General case' 0 CA--C 1.513 -0.463 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 178.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.547 ' HG2' ' HD2' ' B' ' 31' ' ' LYS . 99.1 mt-10 -71.05 -41.29 70.98 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.182 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' B' ' 19' ' ' SER . . . 133.01 -25.26 3.71 Favored Glycine 0 CA--C 1.535 1.319 0 C-N-CA 121.571 -0.347 . . . . 0.0 112.935 175.319 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -68.01 151.61 46.81 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 117.312 0.556 . . . . 0.0 111.037 -177.046 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.525 ' HG2' ' N ' ' B' ' 26' ' ' TYR . 0.1 OUTLIER -59.36 -42.31 91.31 Favored 'General case' 0 C--O 1.24 0.598 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 176.764 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.525 ' N ' ' HG2' ' B' ' 25' ' ' LYS . 2.3 p90 -166.04 94.61 0.57 Allowed 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.337 168.401 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 2.6 mmmm -154.7 157.29 37.86 Favored 'General case' 0 C--N 1.312 -1.057 0 N-CA-C 106.534 -1.654 . . . . 0.0 106.534 171.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.493 ' HB2' ' CE1' ' B' ' 15' ' ' PHE . 43.0 tp -125.31 127.66 47.01 Favored 'General case' 0 C--N 1.3 -1.553 0 C-N-CA 119.931 -0.708 . . . . 0.0 111.033 179.016 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.511 ' H ' ' CD ' ' B' ' 22' ' ' GLU . 1.5 m -96.44 162.8 13.32 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 176.704 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.47 ' HZ3' ' CA ' ' B' ' 65' ' ' GLY . 2.7 mmmm -70.4 -6.66 37.18 Favored 'General case' 0 C--N 1.312 -1.054 0 C-N-CA 119.9 -0.72 . . . . 0.0 112.01 -175.282 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.547 ' HD2' ' HG2' ' B' ' 22' ' ' GLU . 0.2 OUTLIER -70.56 -53.21 16.96 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.056 -0.657 . . . . 0.0 110.79 177.781 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' B' ' 36' ' ' LEU . 75.1 mm-40 -73.83 -40.7 63.13 Favored 'General case' 0 C--O 1.219 -0.518 0 N-CA-C 112.089 0.404 . . . . 0.0 112.089 175.235 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.423 HD23 ' CD2' ' B' ' 28' ' ' LEU . 2.3 tm? -58.54 -48.87 79.45 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 -167.592 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -65.27 -38.08 89.18 Favored 'General case' 0 C--N 1.314 -0.968 0 C-N-CA 119.132 -1.027 . . . . 0.0 110.625 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -65.68 -46.38 79.27 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 174.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' B' ' 32' ' ' GLU . 3.3 tp -61.44 -48.01 83.12 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.613 -0.722 . . . . 0.0 111.408 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -63.42 -46.56 85.79 Favored 'General case' 0 C--N 1.316 -0.854 0 C-N-CA 120.663 -0.415 . . . . 0.0 111.132 -179.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 -67.16 -42.69 83.91 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 119.866 -0.733 . . . . 0.0 110.811 177.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 63.5 m -62.68 -52.17 64.36 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.626 -0.715 . . . . 0.0 112.635 -178.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -79.07 -39.49 33.67 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 113.214 0.82 . . . . 0.0 113.214 -176.151 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 6.9 mp -102.92 33.46 3.24 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.657 -176.002 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 51.3 m -51.23 -40.0 57.84 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.274 -178.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.02 -49.5 62.22 Favored Glycine 0 C--O 1.243 0.684 0 N-CA-C 110.757 -0.937 . . . . 0.0 110.757 178.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.598 ' HA ' ' SD ' ' B' ' 85' ' ' MET . 63.7 m-85 -64.2 -43.39 95.21 Favored 'General case' 0 CA--C 1.5 -0.944 0 CA-C-O 121.468 0.652 . . . . 0.0 109.699 177.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.469 ' O ' ' HG3' ' B' ' 49' ' ' LYS . 3.1 tp -60.85 -47.73 85.01 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.715 178.419 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.4 ' OD1' ' NZ ' ' B' ' 49' ' ' LYS . 29.8 t70 -61.84 -41.91 98.39 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 120.699 -0.4 . . . . 0.0 111.396 178.779 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.25 -35.52 81.1 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.424 177.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.431 HE22 ' CG1' ' B' ' 51' ' ' VAL . 13.2 mm100 -89.42 -1.89 58.21 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 114.3 1.222 . . . . 0.0 114.3 -173.252 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.469 ' HG3' ' O ' ' B' ' 45' ' ' LEU . 31.0 mtmt -60.4 -43.08 97.02 Favored 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 113.49 0.922 . . . . 0.0 113.49 -171.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -86.48 -4.58 59.2 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 120.22 -0.592 . . . . 0.0 111.453 -178.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . 0.431 ' CG1' HE22 ' B' ' 48' ' ' GLN . 60.7 t -82.76 133.55 28.85 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.011 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.45 -178.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -57.62 -40.75 79.88 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.106 -178.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.95 -31.04 49.23 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.581 -177.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 1.4 p -59.76 -44.58 94.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 C-N-CA 119.352 -0.939 . . . . 0.0 109.773 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.541 ' O ' ' N ' ' B' ' 59' ' ' LYS . 23.1 t70 -62.45 -48.67 78.62 Favored 'General case' 0 CA--C 1.497 -1.087 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 176.052 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -64.97 -42.33 94.65 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.924 -173.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . 0.429 HG12 ' CD1' ' B' ' 77' ' ' LEU . 87.0 t -67.36 -44.61 87.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 177.384 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' MET . . . . . 0.446 ' O ' ' N ' ' B' ' 62' ' ' ASP . 66.5 ttp -61.73 -40.32 94.64 Favored 'General case' 0 N--CA 1.433 -1.276 0 CA-C-N 114.641 -1.163 . . . . 0.0 109.978 175.433 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . 0.541 ' N ' ' O ' ' B' ' 55' ' ' ASP . 0.1 OUTLIER -61.1 -45.17 95.79 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.368 179.902 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -57.4 -46.98 82.88 Favored 'General case' 0 C--O 1.243 0.759 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 178.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.444 ' O ' ' NZ ' ' B' ' 30' ' ' LYS . 2.2 mm? -63.63 -42.21 98.2 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.028 173.518 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' B' ' 58' ' ' MET . 29.2 t70 -56.55 -48.13 77.97 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-O 121.207 0.527 . . . . 0.0 109.784 -178.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -66.04 -37.27 85.45 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.906 176.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.515 ' C ' ' H ' ' B' ' 66' ' ' ASP . 3.1 t-20 -65.39 -8.48 18.92 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.063 177.588 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.47 ' CA ' ' HZ3' ' B' ' 30' ' ' LYS . . . -60.59 3.63 0.36 Allowed Glycine 0 N--CA 1.472 1.043 0 N-CA-C 111.479 -0.649 . . . . 0.0 111.479 177.801 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.515 ' H ' ' C ' ' B' ' 64' ' ' ASN . 54.8 m-20 -60.94 -40.2 92.36 Favored 'General case' 0 CA--C 1.504 -0.824 0 N-CA-C 108.045 -1.095 . . . . 0.0 108.045 176.787 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -141.26 -139.46 3.68 Favored Glycine 0 C--O 1.244 0.725 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 178.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -90.43 164.99 14.08 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 121.29 0.567 . . . . 0.0 111.002 -178.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.442 ' O ' ' HB3' ' B' ' 28' ' ' LEU . 1.4 p -116.53 125.68 73.64 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.266 0 N-CA-C 107.283 -1.377 . . . . 0.0 107.283 173.489 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.594 ' CG ' ' H ' ' B' ' 71' ' ' PHE . 44.3 t0 -99.77 -175.8 3.08 Favored 'General case' 0 C--N 1.307 -1.253 0 C-N-CA 120.498 -0.481 . . . . 0.0 111.163 -173.688 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.594 ' H ' ' CG ' ' B' ' 70' ' ' ASP . 45.4 t80 -58.46 -45.23 89.02 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.152 0.501 . . . . 0.0 110.113 -172.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -59.19 -45.03 92.12 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.634 177.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -68.04 -38.24 82.26 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.246 0.546 . . . . 0.0 110.304 176.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . 0.427 ' CE1' HD23 ' B' ' 36' ' ' LEU . 29.5 t80 -60.92 -48.31 82.42 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.693 179.416 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . 0.415 HG21 ' N ' ' B' ' 76' ' ' VAL . 34.0 m -63.2 -41.49 92.98 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 C-N-CA 119.915 -0.714 . . . . 0.0 112.072 -179.024 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . 0.415 ' N ' HG21 ' B' ' 75' ' ' VAL . 10.6 p -64.81 -38.38 82.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 C-N-CA 120.206 -0.598 . . . . 0.0 110.818 -179.167 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . 0.429 ' CD1' HG12 ' B' ' 57' ' ' VAL . 61.2 tp -61.47 -48.2 82.2 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-O 120.866 0.365 . . . . 0.0 110.257 179.445 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.485 ' HB ' ' SD ' ' A' ' 8' ' ' MET . 27.7 m -70.43 -39.7 76.69 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.636 0 C-N-CA 120.075 -0.65 . . . . 0.0 111.188 177.559 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.95 -40.82 97.29 Favored 'General case' 0 CA--C 1.508 -0.669 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.45 177.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' B' ' 76' ' ' VAL . . . -56.64 -50.39 72.19 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-O 121.259 0.552 . . . . 0.0 109.571 -178.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 99.6 mt -64.8 -41.4 95.83 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.57 177.182 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.475 HG23 ' CZ ' ' B' ' 44' ' ' PHE . 19.5 m -63.04 -48.64 77.85 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.968 179.111 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 7.7 p -62.82 -43.54 98.9 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.107 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.19 -51.29 70.61 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.372 178.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 85' ' ' MET . . . . . 0.598 ' SD ' ' HA ' ' B' ' 44' ' ' PHE . 27.0 ttt -65.13 -41.68 94.58 Favored 'General case' 0 CA--C 1.508 -0.639 0 C-N-CA 119.945 -0.702 . . . . 0.0 109.379 177.708 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . 0.537 ' OD1' ' NE2' ' A' ' 16' ' ' HIS . 26.8 t-20 -60.82 -40.13 91.62 Favored 'General case' 0 CA--C 1.501 -0.911 0 C-N-CA 120.223 -0.591 . . . . 0.0 109.473 -179.201 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . 0.496 ' HA ' ' CE1' ' A' ' 26' ' ' TYR . 37.3 t30 -58.28 -46.11 86.66 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.07 -0.513 . . . . 0.0 109.86 178.282 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.544 ' O ' ' N ' ' B' ' 92' ' ' ASN . 60.9 m-85 -68.93 -33.26 73.45 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.048 176.1 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -50.32 -48.19 55.41 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.003 -173.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . 0.485 ' CD1' ' O ' ' B' ' 86' ' ' ASN . 17.9 m95 -73.85 -47.25 39.74 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.809 179.085 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -71.28 -54.59 10.35 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -176.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . 0.544 ' N ' ' O ' ' B' ' 88' ' ' PHE . 45.7 t30 -142.59 104.01 4.32 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.042 -177.074 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 5.1 m . . . . . 0 C--O 1.208 -1.082 0 CA-C-O 118.836 -0.602 . . . . 0.0 109.826 179.045 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.433 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 m -81.07 173.28 12.73 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.53 0.205 . . . . 0.0 110.653 -179.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' A' ' 7' ' ' ALA . 55.9 mp0 -57.54 -48.84 78.21 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-O 121.103 0.478 . . . . 0.0 110.585 -178.404 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.451 ' N ' ' CD2' ' A' ' 4' ' ' LEU . 0.9 OUTLIER -62.48 -43.61 98.39 Favored 'General case' 0 C--N 1.314 -0.946 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 -178.434 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -65.62 -45.49 82.9 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-N 115.04 -0.982 . . . . 0.0 109.265 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 14.6 m -62.49 -44.8 95.5 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.365 175.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.41 ' N ' ' O ' ' A' ' 3' ' ' GLU . . . -54.42 -49.82 69.08 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.309 178.719 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 94.3 mmm -63.82 -41.48 97.85 Favored 'General case' 0 CA--C 1.513 -0.446 0 C-N-CA 119.876 -0.73 . . . . 0.0 110.587 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -66.14 -35.1 79.59 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 119.998 -0.681 . . . . 0.0 111.292 176.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.461 ' CG2' HD11 ' B' ' 4' ' ' LEU . 10.0 m -56.53 -43.4 79.81 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 107.907 -1.146 . . . . 0.0 107.907 178.431 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 83.3 mt -62.91 -41.1 99.34 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.636 174.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.44 HD12 ' CE1' ' A' ' 71' ' ' PHE . 25.6 mm -62.44 -43.47 98.28 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 179.436 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -60.2 -44.59 95.0 Favored 'General case' 0 CA--C 1.505 -0.755 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 -178.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 55.4 t -63.89 -45.9 95.7 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.688 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.067 176.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -59.67 -48.18 82.68 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.507 -178.024 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.58 ' NE2' ' OD1' ' B' ' 86' ' ' ASN . 74.5 m-70 -60.57 -40.95 93.57 Favored 'General case' 0 CA--C 1.508 -0.642 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.301 176.378 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.434 ' O ' ' HG2' ' A' ' 21' ' ' LYS . . . -53.45 -48.82 68.49 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.833 -176.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -76.61 -37.9 55.66 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.698 178.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 65.5 m -57.68 -42.99 84.73 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-O 121.164 0.507 . . . . 0.0 110.017 178.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.32 -42.19 93.45 Favored Glycine 0 N--CA 1.446 -0.694 0 N-CA-C 110.731 -0.948 . . . . 0.0 110.731 -178.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.434 ' HG2' ' O ' ' A' ' 17' ' ' ALA . 1.5 mmtp -65.36 -46.73 79.02 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.182 0.515 . . . . 0.0 109.612 -178.457 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.524 ' OE1' ' N ' ' A' ' 29' ' ' SER . 99.1 mt-10 -70.45 -41.53 72.7 Favored 'General case' 0 N--CA 1.441 -0.912 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.314 -176.144 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 160.33 -73.13 0.21 Allowed Glycine 0 CA--C 1.522 0.474 0 C-N-CA 119.999 -1.095 . . . . 0.0 113.141 177.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -60.52 157.07 14.93 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -172.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.55 ' HG3' ' CE2' ' A' ' 26' ' ' TYR . 0.5 OUTLIER -66.33 -30.83 71.31 Favored 'General case' 0 C--O 1.241 0.623 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 175.482 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.55 ' CE2' ' HG3' ' A' ' 25' ' ' LYS . 0.6 OUTLIER -149.37 91.83 1.87 Allowed 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.468 173.24 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.6 mmmm -159.71 155.42 25.97 Favored 'General case' 0 CA--C 1.501 -0.906 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 167.114 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.421 ' HG ' ' HB2' ' A' ' 33' ' ' LEU . 53.6 tp -129.09 132.48 47.42 Favored 'General case' 0 C--N 1.304 -1.411 0 C-N-CA 120.583 -0.447 . . . . 0.0 109.908 177.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.524 ' N ' ' OE1' ' A' ' 22' ' ' GLU . 1.1 m -104.34 173.92 6.09 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 -179.382 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.479 ' NZ ' ' O ' ' A' ' 61' ' ' LEU . 11.2 mmmm -76.33 -5.98 49.5 Favored 'General case' 0 C--N 1.315 -0.902 0 C-N-CA 120.459 -0.496 . . . . 0.0 111.467 -175.644 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.454 ' HD2' ' HG2' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -67.67 -69.69 0.3 Allowed 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 178.813 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.464 ' O ' ' N ' ' A' ' 36' ' ' LEU . 58.7 mm-40 -69.77 -35.12 74.65 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.266 -0.879 . . . . 0.0 112.19 179.579 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.421 ' HB2' ' HG ' ' A' ' 28' ' ' LEU . 1.2 tm? -56.62 -50.04 73.19 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 113.264 0.839 . . . . 0.0 113.264 -167.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.436 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 7.5 mtmp? -63.59 -41.68 98.33 Favored 'General case' 0 CA--C 1.508 -0.655 0 C-N-CA 118.391 -1.323 . . . . 0.0 110.69 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -65.37 -44.08 88.72 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.933 -0.765 . . . . 0.0 108.933 176.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' A' ' 32' ' ' GLU . 3.2 tp -60.43 -48.42 81.85 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.334 179.383 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -63.42 -48.21 78.73 Favored 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 119.911 -0.716 . . . . 0.0 111.424 -178.137 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.436 ' HG2' ' O ' ' A' ' 34' ' ' LYS . 19.9 pt20 -66.0 -40.12 90.88 Favored 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 120.15 -0.62 . . . . 0.0 110.348 178.583 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 71.2 m -65.32 -52.86 51.19 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 115.558 -0.746 . . . . 0.0 112.877 -177.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -73.83 -40.67 63.16 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 119.729 -0.788 . . . . 0.0 112.146 -175.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.563 ' O ' ' N ' ' A' ' 45' ' ' LEU . 10.5 mp -88.35 44.78 1.22 Allowed 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.596 -178.24 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.57 -47.33 73.42 Favored 'General case' 0 C--N 1.31 -1.121 0 C-N-CA 120.96 -0.296 . . . . 0.0 111.633 -175.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.402 ' H ' ' CD ' ' B' ' 5' ' ' GLU . . . -70.24 -43.99 61.37 Favored Glycine 0 CA--C 1.522 0.494 0 N-CA-C 111.384 -0.686 . . . . 0.0 111.384 178.478 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.603 ' HA ' ' SD ' ' A' ' 85' ' ' MET . 41.8 m-85 -66.69 -42.44 86.48 Favored 'General case' 0 CA--C 1.499 -1.012 0 CA-C-O 121.068 0.461 . . . . 0.0 110.008 178.172 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.563 ' N ' ' O ' ' A' ' 41' ' ' LEU . 46.5 tp -61.14 -45.75 93.38 Favored 'General case' 0 N--CA 1.431 -1.423 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.023 174.302 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.463 ' O ' ' HE2' ' A' ' 49' ' ' LYS . 34.9 t70 -56.15 -47.24 78.6 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.021 0.439 . . . . 0.0 110.294 -179.764 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.65 ' CB ' ' SD ' ' A' ' 85' ' ' MET . . . -67.03 -36.51 82.26 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.909 175.498 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.434 ' HG2' ' O ' ' A' ' 44' ' ' PHE . 82.0 mm-40 -84.78 1.04 48.54 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 -174.566 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.502 ' HG3' ' O ' ' A' ' 45' ' ' LEU . 41.6 mtmt -58.89 -37.12 75.86 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 120.736 -0.385 . . . . 0.0 111.274 -176.339 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -114.38 36.48 3.74 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.866 0.365 . . . . 0.0 111.407 -179.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.554 ' C ' ' H ' ' A' ' 53' ' ' ALA . 57.6 t -112.64 -13.32 11.4 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 N-CA-C 111.841 0.312 . . . . 0.0 111.841 -179.533 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.442 ' OD1' ' NZ ' ' A' ' 56' ' ' LYS . 7.3 t70 62.17 -30.65 0.08 Allowed 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 112.889 0.699 . . . . 0.0 112.889 178.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.554 ' H ' ' C ' ' A' ' 51' ' ' VAL . . . -54.49 -33.07 59.13 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.014 0.435 . . . . 0.0 110.669 -178.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.7 p -58.81 -44.31 90.11 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.814 179.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 59' ' ' LYS . 31.3 t70 -61.16 -45.14 95.84 Favored 'General case' 0 CA--C 1.502 -0.895 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.296 176.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.442 ' NZ ' ' OD1' ' A' ' 52' ' ' ASP . 37.1 mttp -64.17 -45.34 88.83 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 115.001 -1.0 . . . . 0.0 110.792 -178.325 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 57.3 t -65.09 -44.8 95.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 177.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.464 ' O ' ' N ' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -67.1 -22.05 65.83 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.4 175.541 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 55' ' ' ASP . 0.5 OUTLIER -62.73 -43.55 98.5 Favored 'General case' 0 CA--C 1.502 -0.888 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.219 -178.833 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.415 ' O ' ' N ' ' A' ' 64' ' ' ASN . 95.9 mt-10 -58.58 -41.56 86.04 Favored 'General case' 0 N--CA 1.437 -1.112 0 N-CA-C 107.769 -1.197 . . . . 0.0 107.769 176.102 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.479 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . 39.0 mt -65.24 -37.85 88.53 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.985 175.332 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 58' ' ' MET . 94.0 m-20 -61.75 -43.0 99.7 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 176.276 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -68.62 -48.92 62.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.652 0.739 . . . . 0.0 109.57 177.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.612 ' C ' ' H ' ' A' ' 66' ' ' ASP . 14.2 t-20 -68.1 -18.05 64.55 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.845 -1.07 . . . . 0.0 111.36 -178.234 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 61' ' ' LEU . . . -65.23 22.84 0.12 Allowed Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.741 -0.544 . . . . 0.0 111.741 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.612 ' H ' ' C ' ' A' ' 64' ' ' ASN . 37.0 t70 -62.08 -41.66 98.4 Favored 'General case' 0 CA--C 1.506 -0.728 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 175.697 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -126.47 -74.36 0.21 Allowed Glycine 0 N--CA 1.45 -0.417 0 N-CA-C 110.471 -1.051 . . . . 0.0 110.471 178.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -148.49 177.49 9.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.83 0.348 . . . . 0.0 111.205 -178.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.0 p -126.51 135.89 62.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.426 -0.806 . . . . 0.0 108.958 174.002 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -95.48 -179.8 4.89 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 121.372 0.606 . . . . 0.0 111.978 -175.125 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.44 ' CE1' HD12 ' A' ' 12' ' ' ILE . 78.1 t80 -61.74 -45.17 95.08 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.596 178.03 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.481 ' O ' HG21 ' A' ' 75' ' ' VAL . 50.3 mt-30 -61.27 -40.95 95.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.093 -178.804 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -68.06 -40.44 82.78 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 121.397 0.618 . . . . 0.0 109.449 174.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 29.3 t80 -60.93 -48.82 80.06 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.59 -0.732 . . . . 0.0 112.153 178.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.481 HG21 ' O ' ' A' ' 72' ' ' GLN . 16.7 m -64.12 -42.81 96.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 C-N-CA 120.064 -0.654 . . . . 0.0 112.01 -178.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 14.9 p -65.07 -33.25 62.44 Favored 'Isoleucine or valine' 0 C--O 1.237 0.424 0 C-N-CA 120.092 -0.643 . . . . 0.0 110.324 178.221 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 49.0 tp -60.15 -49.24 78.44 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.739 179.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 8.6 m -73.0 -42.01 59.68 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.923 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.901 178.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.3 -40.97 98.05 Favored 'General case' 0 CA--C 1.513 -0.442 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.71 -178.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.12 -45.23 87.65 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 179.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 93.4 mt -63.7 -41.1 98.17 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.703 174.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.42 HG23 ' OD1' ' A' ' 86' ' ' ASN . 19.4 m -61.2 -50.89 71.27 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.61 -177.29 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 10.3 p -62.78 -43.23 98.6 Favored 'Isoleucine or valine' 0 C--O 1.24 0.587 0 C-N-CA 120.433 -0.507 . . . . 0.0 110.737 179.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -56.6 -52.26 65.52 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.655 179.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.65 ' SD ' ' CB ' ' A' ' 47' ' ' ALA . 24.7 ttp -70.1 -43.02 71.93 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.356 -0.538 . . . . 0.0 110.598 179.711 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.42 ' OD1' HG23 ' A' ' 82' ' ' THR . 7.0 m120 -64.1 -31.29 72.42 Favored 'General case' 0 CA--C 1.499 -0.988 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -175.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -56.53 -33.11 65.75 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 178.424 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.587 ' O ' ' N ' ' A' ' 92' ' ' ASN . 39.3 t80 -58.77 -45.68 89.22 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 179.246 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -55.07 -44.96 75.29 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 119.582 -0.847 . . . . 0.0 110.526 -172.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.424 ' CD1' ' CE1' ' B' ' 16' ' ' HIS . 83.9 m95 -69.65 -46.62 65.72 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-O 121.167 0.508 . . . . 0.0 110.476 179.031 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -68.63 -24.98 64.62 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.465 -0.788 . . . . 0.0 110.653 179.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.587 ' N ' ' O ' ' A' ' 88' ' ' PHE . 51.8 t30 -47.12 122.82 4.77 Favored 'General case' 0 CA--C 1.501 -0.917 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.061 -175.649 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.441 ' HG ' ' C ' ' A' ' 92' ' ' ASN . 52.2 m . . . . . 0 C--O 1.201 -1.449 0 CA-C-O 118.316 -0.849 . . . . 0.0 109.942 -174.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.748 0 N-CA-C 110.649 -0.981 . . . . 0.0 110.649 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 5.9 m -72.47 157.8 36.94 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.662 0.231 . . . . 0.0 110.683 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.504 ' O ' ' N ' ' B' ' 7' ' ' ALA . 67.8 mt-10 -56.92 -30.22 63.78 Favored 'General case' 0 CA--C 1.511 -0.531 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 177.106 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.461 HD11 ' CG2' ' A' ' 10' ' ' THR . 3.5 mm? -61.97 -42.24 98.9 Favored 'General case' 0 CA--C 1.51 -0.591 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 175.723 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.402 ' CD ' ' H ' ' A' ' 43' ' ' GLY . 35.8 mt-10 -62.55 -42.55 99.6 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 177.255 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 9.6 m -61.65 -44.72 96.45 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.695 173.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . 0.504 ' N ' ' O ' ' B' ' 3' ' ' GLU . . . -58.26 -45.41 87.88 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 178.477 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' MET . . . . . 0.417 ' HG2' ' O ' ' B' ' 4' ' ' LEU . 94.0 mmm -63.2 -41.56 99.19 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.393 177.577 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -64.14 -37.68 88.34 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 120.12 -0.632 . . . . 0.0 110.604 175.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 9.7 m -57.53 -43.42 84.34 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 178.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 73.0 mt -62.42 -42.7 99.64 Favored 'General case' 0 C--O 1.24 0.569 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.047 174.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.426 HD12 ' CE2' ' B' ' 71' ' ' PHE . 17.0 mm -62.83 -44.76 99.77 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.554 0 CA-C-N 116.132 -0.486 . . . . 0.0 109.766 -178.8 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 64.0 m-80 -61.54 -43.1 99.48 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.687 -176.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 90.2 t -63.93 -46.3 94.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.921 174.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -58.1 -48.15 81.07 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.742 -178.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.517 ' CE1' ' HB3' ' B' ' 26' ' ' TYR . 21.9 m-70 -66.26 -39.55 89.53 Favored 'General case' 0 CA--C 1.512 -0.505 0 C-N-CA 120.695 -0.402 . . . . 0.0 111.428 178.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.61 -50.94 66.86 Favored 'General case' 0 CA--C 1.518 -0.263 0 C-N-CA 120.557 -0.457 . . . . 0.0 109.826 178.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.449 ' ND1' ' OE1' ' B' ' 32' ' ' GLU . 93.3 m-70 -67.29 -40.06 86.04 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.872 177.649 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 32.2 m -57.75 -45.41 85.93 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 121.162 0.505 . . . . 0.0 109.918 -179.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.4 -40.92 99.31 Favored Glycine 0 N--CA 1.447 -0.591 0 N-CA-C 110.381 -1.088 . . . . 0.0 110.381 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -64.31 -44.19 92.34 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 121.075 -0.25 . . . . 0.0 111.495 -178.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.529 ' CD ' ' HG ' ' B' ' 29' ' ' SER . 95.8 mt-10 -68.4 -38.19 81.06 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.018 -0.673 . . . . 0.0 111.113 179.697 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 136.94 -20.66 3.4 Favored Glycine 0 N--CA 1.47 0.917 0 C-N-CA 120.489 -0.862 . . . . 0.0 113.494 173.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -75.88 153.19 36.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 117.417 0.609 . . . . 0.0 111.516 -178.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.511 ' HB3' ' CE2' ' B' ' 26' ' ' TYR . 29.7 mtmt -62.48 -44.96 95.12 Favored 'General case' 0 CA--C 1.49 -1.343 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 176.746 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.517 ' HB3' ' CE1' ' B' ' 16' ' ' HIS . 0.1 OUTLIER -161.07 90.4 0.83 Allowed 'General case' 0 N--CA 1.422 -1.852 0 CA-C-N 114.855 -1.066 . . . . 0.0 109.395 173.735 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 26.0 mmmt -162.58 154.94 19.01 Favored 'General case' 0 C--N 1.31 -1.135 0 N-CA-C 106.093 -1.817 . . . . 0.0 106.093 172.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 42.1 tp -124.65 132.39 53.41 Favored 'General case' 0 C--N 1.3 -1.575 0 C-N-CA 120.281 -0.567 . . . . 0.0 110.266 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.529 ' HG ' ' CD ' ' B' ' 22' ' ' GLU . 0.0 OUTLIER -96.62 178.91 5.17 Favored 'General case' 0 C--N 1.308 -1.21 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 175.285 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.489 ' NZ ' ' O ' ' B' ' 61' ' ' LEU . 4.2 mmmm -78.51 -3.61 44.45 Favored 'General case' 0 C--N 1.309 -1.156 0 C-N-CA 120.098 -0.641 . . . . 0.0 111.493 -177.315 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.439 ' HD2' ' HG2' ' B' ' 22' ' ' GLU . 0.1 OUTLIER -64.7 -69.8 0.27 Allowed 'General case' 0 C--O 1.237 0.426 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 177.487 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.473 ' O ' ' HB3' ' B' ' 36' ' ' LEU . 76.3 mm-40 -68.67 -38.69 80.6 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.504 179.149 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -57.75 -46.81 83.98 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 120.585 -0.446 . . . . 0.0 111.591 -171.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 9.1 mtmp? -63.62 -42.16 98.21 Favored 'General case' 0 C--N 1.319 -0.746 0 C-N-CA 119.033 -1.067 . . . . 0.0 110.352 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -68.73 -44.39 73.92 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.1 177.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.473 ' HB3' ' O ' ' B' ' 32' ' ' GLU . 1.1 tp -60.52 -50.08 74.99 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.759 -0.655 . . . . 0.0 112.123 179.662 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -62.7 -47.42 83.72 Favored 'General case' 0 C--N 1.313 -1.002 0 C-N-CA 119.785 -0.766 . . . . 0.0 111.283 -175.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -66.44 -41.64 88.85 Favored 'General case' 0 C--N 1.314 -0.941 0 C-N-CA 120.111 -0.636 . . . . 0.0 110.635 177.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 73.9 m -63.82 -54.02 41.57 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.933 -0.576 . . . . 0.0 112.484 -177.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -70.86 -40.19 72.47 Favored 'General case' 0 CA--C 1.515 -0.397 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -176.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.481 ' O ' ' N ' ' B' ' 45' ' ' LEU . 10.8 mp -97.31 37.2 1.36 Allowed 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.874 -178.549 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 73.4 m -53.1 -42.32 65.82 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 121.056 -0.258 . . . . 0.0 111.561 -175.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.64 -46.55 67.82 Favored Glycine 0 N--CA 1.463 0.462 0 N-CA-C 110.901 -0.879 . . . . 0.0 110.901 178.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.555 ' CD1' ' SD ' ' B' ' 85' ' ' MET . 11.4 m-85 -62.12 -43.11 99.54 Favored 'General case' 0 CA--C 1.514 -0.422 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 174.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.481 ' N ' ' O ' ' B' ' 41' ' ' LEU . 2.4 tp -59.49 -48.5 81.4 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.122 179.626 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -59.81 -44.72 93.86 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-O 120.936 0.398 . . . . 0.0 110.467 -178.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . 0.531 ' HB3' ' SD ' ' B' ' 85' ' ' MET . . . -67.45 -38.63 84.79 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.727 175.214 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.538 ' HG2' ' SD ' ' B' ' 85' ' ' MET . 0.1 OUTLIER -65.27 -27.16 68.44 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 114.39 1.255 . . . . 0.0 114.39 -174.11 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.477 ' HG3' ' O ' ' B' ' 45' ' ' LEU . 23.5 mtpp -56.91 -42.72 80.45 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 120.337 -0.545 . . . . 0.0 111.046 -170.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -67.72 -21.31 65.3 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.434 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' B' ' 53' ' ' ALA . 51.1 t -69.84 -20.38 23.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.413 -174.521 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.418 ' OD1' ' NZ ' ' B' ' 56' ' ' LYS . 41.2 t0 66.76 -51.44 0.46 Allowed 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 121.085 0.469 . . . . 0.0 110.531 -177.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . 0.472 ' O ' ' N ' ' B' ' 57' ' ' VAL . . . -53.62 -24.98 15.71 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.012 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 7.6 p -56.24 -43.93 78.0 Favored 'Isoleucine or valine' 0 C--O 1.241 0.612 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 178.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.477 ' CG ' ' HZ1' ' B' ' 59' ' ' LYS . 32.9 t70 -60.59 -45.28 94.56 Favored 'General case' 0 CA--C 1.503 -0.838 0 CA-C-O 121.471 0.653 . . . . 0.0 109.752 175.51 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . 0.418 ' NZ ' ' OD1' ' B' ' 52' ' ' ASP . 60.8 mttp -66.52 -40.37 89.12 Favored 'General case' 0 C--N 1.307 -1.268 0 CA-C-N 114.625 -1.17 . . . . 0.0 111.774 -178.079 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . 0.472 ' N ' ' O ' ' B' ' 53' ' ' ALA . 93.0 t -64.21 -46.15 94.25 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.603 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 176.052 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' MET . . . . . 0.463 ' O ' ' N ' ' B' ' 62' ' ' ASP . 64.9 ttp -60.06 -36.92 78.39 Favored 'General case' 0 N--CA 1.434 -1.239 0 CA-C-N 114.383 -1.28 . . . . 0.0 108.975 173.507 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . 0.477 ' HZ1' ' CG ' ' B' ' 55' ' ' ASP . 0.3 OUTLIER -62.3 -41.71 98.75 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.02 179.633 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -60.25 -41.27 92.85 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.463 -0.939 . . . . 0.0 108.463 177.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.506 ' O ' ' HB3' ' B' ' 64' ' ' ASN . 2.7 mm? -63.85 -37.62 88.06 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.058 171.625 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.463 ' N ' ' O ' ' B' ' 58' ' ' MET . 26.1 t70 -61.35 -36.23 79.61 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.302 -179.211 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 76.7 mt-10 -51.85 -44.32 63.6 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 107.26 -1.385 . . . . 0.0 107.26 175.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.619 ' C ' ' H ' ' B' ' 66' ' ' ASP . 0.4 OUTLIER -60.21 -4.58 0.84 Allowed 'General case' 0 N--CA 1.435 -1.207 0 CA-C-N 113.579 -1.646 . . . . 0.0 111.972 -178.259 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.58 8.31 0.03 OUTLIER Glycine 0 CA--C 1.535 1.343 0 N-CA-C 111.663 -0.575 . . . . 0.0 111.663 176.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.619 ' H ' ' C ' ' B' ' 64' ' ' ASN . 14.2 t70 -57.92 -37.46 74.09 Favored 'General case' 0 CA--C 1.51 -0.563 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 176.596 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -159.17 -90.35 0.08 OUTLIER Glycine 0 C--N 1.317 -0.512 0 N-CA-C 110.509 -1.036 . . . . 0.0 110.509 177.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.472 ' O ' ' ND2' ' B' ' 64' ' ' ASN . 1.4 mp0 -121.87 171.58 8.81 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-O 120.663 0.268 . . . . 0.0 110.538 -178.704 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.408 ' HA ' HD22 ' B' ' 64' ' ' ASN . 1.2 p -119.47 128.3 75.86 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.949 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 171.766 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.403 ' O ' ' N ' ' B' ' 74' ' ' TYR . 0.0 OUTLIER -93.52 -176.7 4.17 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.635 -0.426 . . . . 0.0 111.118 -175.324 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.426 ' CE2' HD12 ' B' ' 12' ' ' ILE . 59.4 t80 -60.5 -45.4 93.92 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 -178.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . 0.431 ' O ' HG22 ' B' ' 75' ' ' VAL . 25.1 mt-30 -60.17 -42.05 94.15 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.152 178.251 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -68.33 -41.78 80.27 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-O 121.139 0.495 . . . . 0.0 110.541 174.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . 0.403 ' N ' ' O ' ' B' ' 70' ' ' ASP . 30.3 t80 -61.7 -47.98 82.84 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 178.489 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . 0.431 HG22 ' O ' ' B' ' 72' ' ' GLN . 16.5 m -63.55 -40.13 87.89 Favored 'Isoleucine or valine' 0 C--O 1.238 0.489 0 C-N-CA 119.938 -0.705 . . . . 0.0 112.02 -177.321 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 12.1 p -63.85 -35.46 73.3 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 C-N-CA 120.266 -0.574 . . . . 0.0 110.968 -179.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 51.1 tp -61.14 -49.21 78.15 Favored 'General case' 0 CA--C 1.512 -0.485 0 C-N-CA 120.791 -0.363 . . . . 0.0 110.376 178.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 19.3 m -69.43 -42.53 81.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 C-N-CA 120.148 -0.621 . . . . 0.0 110.505 177.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.05 -44.19 93.23 Favored 'General case' 0 CA--C 1.508 -0.644 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.56 -179.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . 0.413 ' O ' HG13 ' B' ' 83' ' ' VAL . . . -61.69 -43.2 99.31 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 -179.783 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 95.9 mt -63.26 -41.61 99.07 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.473 174.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.495 ' O ' ' N ' ' B' ' 86' ' ' ASN . 19.9 m -61.23 -47.56 85.5 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.812 177.03 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . 0.418 ' HA ' ' HB3' ' B' ' 86' ' ' ASN . 0.3 OUTLIER -62.45 -42.83 97.16 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.724 0 C-N-CA 120.287 -0.565 . . . . 0.0 110.44 -179.261 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -56.88 -53.47 57.58 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.229 177.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 85' ' ' MET . . . . . 0.555 ' SD ' ' CD1' ' B' ' 44' ' ' PHE . 79.0 mtp -65.06 -39.7 93.66 Favored 'General case' 0 CA--C 1.512 -0.488 0 C-N-CA 120.149 -0.62 . . . . 0.0 111.61 174.595 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . 0.58 ' OD1' ' NE2' ' A' ' 16' ' ' HIS . 28.3 t30 -59.16 -44.64 92.12 Favored 'General case' 0 CA--C 1.501 -0.924 0 C-N-CA 120.462 -0.495 . . . . 0.0 109.938 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . 0.414 ' OD1' ' CZ ' ' A' ' 26' ' ' TYR . 38.2 t30 -64.84 -41.98 95.28 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 174.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.46 ' O ' ' N ' ' B' ' 92' ' ' ASN . 70.5 t80 -60.29 -44.0 95.77 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.759 178.153 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -42.31 -44.46 3.88 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.548 -178.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . 0.452 ' CD1' ' O ' ' B' ' 86' ' ' ASN . 29.1 m95 -69.94 -42.29 73.44 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-O 120.988 0.423 . . . . 0.0 111.2 176.304 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -67.14 -37.39 83.74 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.652 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . 0.46 ' N ' ' O ' ' B' ' 88' ' ' PHE . 60.1 t30 -48.65 101.05 0.03 OUTLIER 'General case' 0 C--O 1.243 0.728 0 CA-C-N 114.98 -1.009 . . . . 0.0 110.551 -175.032 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 93' ' ' SER . . . . . 0.431 ' HG ' ' C ' ' B' ' 92' ' ' ASN . 25.5 m . . . . . 0 C--O 1.207 -1.156 0 CA-C-O 118.481 -0.771 . . . . 0.0 110.264 -176.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.447 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 m -69.95 167.57 17.2 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-O 120.97 0.414 . . . . 0.0 111.002 178.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 7' ' ' ALA . 1.9 mp0 -55.51 -40.45 71.8 Favored 'General case' 0 CA--C 1.505 -0.769 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 176.361 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.473 ' O ' ' HG2' ' A' ' 8' ' ' MET . 4.0 mm? -61.71 -45.37 94.27 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.081 -0.963 . . . . 0.0 108.744 -178.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -65.81 -45.46 82.25 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.791 179.191 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 18.6 m -63.25 -45.87 89.52 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.368 176.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 3' ' ' GLU . . . -56.47 -49.2 75.33 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 178.321 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.473 ' HG2' ' O ' ' A' ' 4' ' ' LEU . 95.8 mmm -64.59 -41.33 96.33 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.528 177.514 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -64.47 -38.96 92.85 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 120.321 -0.552 . . . . 0.0 110.255 179.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 11.6 m -57.22 -43.54 82.91 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 178.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.427 HD12 ' SD ' ' B' ' 8' ' ' MET . 85.5 mt -62.82 -40.85 98.66 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.713 175.067 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.44 HD12 ' CE2' ' A' ' 71' ' ' PHE . 17.9 mm -62.25 -43.55 98.1 Favored 'Isoleucine or valine' 0 C--O 1.238 0.461 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 178.401 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -60.86 -44.99 96.29 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 -177.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 91.7 t -67.41 -43.65 87.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.094 177.032 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -58.37 -47.93 82.26 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.308 -177.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.481 ' NE2' ' OD1' ' B' ' 86' ' ' ASN . 52.3 m-70 -62.18 -35.7 79.64 Favored 'General case' 0 CA--C 1.506 -0.725 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.961 177.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.81 -50.72 60.25 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -69.68 -39.64 76.87 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.894 176.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.432 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 26.7 m -52.42 -37.04 55.77 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 119.769 -0.773 . . . . 0.0 110.231 179.057 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -56.65 -25.33 50.72 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 110.69 -0.964 . . . . 0.0 110.69 177.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.7 mmtp -65.12 -41.46 94.83 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.989 0.423 . . . . 0.0 110.301 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.532 ' CD ' ' HG ' ' A' ' 29' ' ' SER . 8.3 pt-20 -115.09 -28.19 7.07 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.106 -0.952 . . . . 0.0 112.316 -170.651 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.465 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . 85.92 -121.47 5.7 Favored Glycine 0 CA--C 1.525 0.701 0 C-N-CA 121.341 -0.457 . . . . 0.0 112.523 177.274 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.1 t70 63.58 -68.03 0.09 Allowed 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 -172.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -178.99 -87.88 0.0 OUTLIER 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 114.98 -1.009 . . . . 0.0 109.09 172.233 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.443 ' CD1' ' N ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -113.88 94.76 4.98 Favored 'General case' 0 CA--C 1.499 -0.982 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 171.551 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.432 ' O ' ' HA ' ' A' ' 19' ' ' SER . 6.9 mmtp -141.41 155.69 45.87 Favored 'General case' 0 CA--C 1.482 -1.658 0 CA-C-N 115.444 -0.798 . . . . 0.0 112.56 -177.055 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.534 ' O ' ' N ' ' A' ' 69' ' ' VAL . 41.2 tp -136.96 117.45 13.76 Favored 'General case' 0 N--CA 1.414 -2.238 0 CA-C-N 114.159 -1.382 . . . . 0.0 108.042 173.023 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.532 ' HG ' ' CD ' ' A' ' 22' ' ' GLU . 23.3 m -85.65 158.39 20.09 Favored 'General case' 0 C--N 1.304 -1.384 0 CA-C-O 121.039 0.447 . . . . 0.0 110.574 -177.003 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.53 -5.81 9.04 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.348 -178.517 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -79.22 -57.33 3.78 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 175.698 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -70.71 -37.98 73.59 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.128 -0.942 . . . . 0.0 111.266 178.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.412 ' HB2' ' HG ' ' A' ' 28' ' ' LEU . 2.0 tm? -58.99 -45.77 89.8 Favored 'General case' 0 CA--C 1.513 -0.444 0 C-N-CA 120.917 -0.313 . . . . 0.0 111.43 -172.644 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.468 ' HG3' ' N ' ' A' ' 35' ' ' GLU . 65.0 pttt -60.62 -46.08 91.61 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 119.859 -0.736 . . . . 0.0 110.061 -178.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.468 ' N ' ' HG3' ' A' ' 34' ' ' LYS . 99.1 mt-10 -66.32 -44.83 82.28 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.611 177.232 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.3 tp -60.67 -49.56 77.01 Favored 'General case' 0 C--N 1.309 -1.181 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.748 -179.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -63.69 -47.26 81.9 Favored 'General case' 0 C--N 1.315 -0.896 0 C-N-CA 119.902 -0.719 . . . . 0.0 111.372 -176.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -66.6 -42.16 87.34 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.186 0.517 . . . . 0.0 110.726 178.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 77.0 m -63.16 -50.41 70.48 Favored 'General case' 0 N--CA 1.438 -1.035 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.485 -177.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.478 ' CD ' ' HG ' ' B' ' 2' ' ' SER . 75.4 mm-40 -75.48 -42.31 53.35 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -175.572 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 45' ' ' LEU . 10.8 mp -95.59 39.32 1.13 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.906 0.384 . . . . 0.0 110.773 -177.472 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 36.6 p -54.38 -43.52 71.46 Favored 'General case' 0 C--N 1.312 -1.065 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.281 -175.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -66.93 -44.61 88.47 Favored Glycine 0 C--O 1.236 0.275 0 N-CA-C 111.524 -0.63 . . . . 0.0 111.524 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.43 ' O ' ' HG2' ' A' ' 48' ' ' GLN . 33.3 m-85 -71.14 -38.55 72.24 Favored 'General case' 0 CA--C 1.501 -0.919 0 CA-C-O 121.387 0.613 . . . . 0.0 109.595 178.194 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 41' ' ' LEU . 45.0 tp -60.42 -44.61 95.57 Favored 'General case' 0 N--CA 1.436 -1.17 0 CA-C-N 115.053 -0.976 . . . . 0.0 111.256 -179.063 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.429 ' HA ' ' HE2' ' A' ' 49' ' ' LYS . 33.9 t70 -55.21 -45.59 75.92 Favored 'General case' 0 C--N 1.318 -0.772 0 C-N-CA 120.165 -0.614 . . . . 0.0 110.415 -177.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.39 -40.24 81.44 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.377 176.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.43 ' HG2' ' O ' ' A' ' 44' ' ' PHE . 62.5 mm-40 -63.52 -19.77 65.05 Favored 'General case' 0 CA--C 1.514 -0.43 0 N-CA-C 112.994 0.738 . . . . 0.0 112.994 -177.472 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.429 ' HE2' ' HA ' ' A' ' 46' ' ' ASP . 36.1 mtmt -57.8 -35.61 71.07 Favored 'General case' 0 C--N 1.312 -1.065 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 178.13 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -94.57 13.04 25.39 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.448 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.404 ' O ' HG11 ' A' ' 54' ' ' VAL . 72.5 t -117.51 131.91 68.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.997 0.427 . . . . 0.0 110.67 -178.253 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -65.23 -38.94 91.96 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.661 178.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -48.94 -45.29 41.52 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.928 -0.578 . . . . 0.0 112.384 -172.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.443 ' O ' ' HG3' ' A' ' 58' ' ' MET . 7.4 p -59.49 -39.34 78.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 C-N-CA 120.418 -0.513 . . . . 0.0 110.843 -176.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -55.47 -49.17 73.2 Favored 'General case' 0 CA--C 1.508 -0.655 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 178.286 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.438 ' O ' ' HB3' ' A' ' 59' ' ' LYS . 66.6 mttm -65.04 -38.6 91.42 Favored 'General case' 0 C--N 1.309 -1.172 0 CA-C-N 114.414 -1.266 . . . . 0.0 111.543 176.813 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 84.7 t -62.1 -44.44 99.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 -179.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.443 ' HG3' ' O ' ' A' ' 54' ' ' VAL . 3.9 mtm -59.54 -39.81 85.19 Favored 'General case' 0 CA--C 1.507 -0.686 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 178.216 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.438 ' HB3' ' O ' ' A' ' 56' ' ' LYS . 0.0 OUTLIER -62.99 -40.1 96.74 Favored 'General case' 0 C--N 1.308 -1.229 0 CA-C-N 114.085 -1.416 . . . . 0.0 111.19 -179.56 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -66.02 -44.39 84.84 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.221 0.534 . . . . 0.0 110.343 178.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.473 ' CD1' ' HB3' ' A' ' 73' ' ' GLU . 3.1 mm? -64.21 -38.98 93.0 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.798 176.556 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -59.0 -34.62 72.06 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.233 -0.894 . . . . 0.0 112.322 -172.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.4 ' OE2' ' NZ ' ' A' ' 59' ' ' LYS . 80.1 mm-40 -51.7 -64.74 0.72 Allowed 'General case' 0 CA--C 1.509 -0.623 0 C-N-CA 120.394 -0.523 . . . . 0.0 110.226 -178.188 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.427 ' O ' ' N ' ' A' ' 66' ' ' ASP . 0.1 OUTLIER -65.87 -36.72 84.22 Favored 'General case' 0 CA--C 1.498 -1.026 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.688 177.329 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.1 52.75 0.06 OUTLIER Glycine 0 N--CA 1.446 -0.653 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 -178.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 64' ' ' ASN . 25.7 t70 -59.71 -40.98 89.76 Favored 'General case' 0 CA--C 1.501 -0.94 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 175.405 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -150.84 -40.0 0.03 OUTLIER Glycine 0 C--N 1.303 -1.252 0 N-CA-C 109.293 -1.523 . . . . 0.0 109.293 175.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.476 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 18.9 mt-10 -115.6 152.48 33.01 Favored 'General case' 0 N--CA 1.439 -1.019 0 CA-C-N 115.328 -0.436 . . . . 0.0 110.547 179.295 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.534 ' N ' ' O ' ' A' ' 28' ' ' LEU . 2.5 p -132.73 133.03 59.62 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.397 0 N-CA-C 106.8 -1.556 . . . . 0.0 106.8 174.254 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.11 -177.79 4.58 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 120.005 -0.678 . . . . 0.0 112.316 -172.412 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.44 ' CE2' HD12 ' A' ' 12' ' ' ILE . 66.7 t80 -61.03 -44.36 97.51 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.582 -178.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.434 ' O ' HG23 ' A' ' 75' ' ' VAL . 49.6 mt-30 -59.38 -40.76 87.56 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.265 0.555 . . . . 0.0 109.55 -179.493 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.473 ' HB3' ' CD1' ' A' ' 61' ' ' LEU . 99.3 mt-10 -72.25 -40.74 67.48 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.297 175.746 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -60.4 -45.71 92.61 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.995 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 72' ' ' GLN . 19.7 m -63.8 -43.02 97.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 C-N-CA 120.752 -0.379 . . . . 0.0 111.963 -177.833 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 32.0 m -65.99 -36.33 77.23 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.689 0 CA-C-O 120.936 0.398 . . . . 0.0 110.69 179.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 56.6 tp -60.91 -48.43 81.83 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.006 -179.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 11.9 m -72.9 -41.28 60.66 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.907 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.325 176.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.58 -42.49 99.59 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.016 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.456 ' HB1' ' NE2' ' B' ' 72' ' ' GLN . . . -56.06 -47.65 77.53 Favored 'General case' 0 CA--C 1.514 -0.413 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 179.45 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 92.3 mt -63.17 -41.03 99.16 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.637 176.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 21.0 m -61.36 -50.59 72.28 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.748 -179.066 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 14.6 p -64.02 -42.98 97.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 C-N-CA 119.823 -0.751 . . . . 0.0 110.355 178.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.08 -52.19 66.27 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.152 177.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 85.5 mmm -66.37 -42.68 87.62 Favored 'General case' 0 CA--C 1.515 -0.381 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 176.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.485 ' O ' ' CD1' ' A' ' 90' ' ' TRP . 2.2 t-20 -63.29 -42.32 99.06 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 119.375 -0.93 . . . . 0.0 108.832 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -61.62 -39.54 91.63 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.941 175.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.484 ' HA ' ' HB3' ' A' ' 92' ' ' ASN . 53.5 t80 -60.14 -44.02 95.26 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.206 174.168 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -59.1 -43.26 91.86 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.299 178.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.485 ' CD1' ' O ' ' A' ' 86' ' ' ASN . 63.1 m95 -85.66 -83.42 0.17 Allowed 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.051 -0.659 . . . . 0.0 112.252 -177.333 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.506 ' CD ' ' HZ2' ' B' ' 25' ' ' LYS . 90.0 mt-10 -109.63 -25.12 10.59 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 115.402 1.63 . . . . 0.0 115.402 -172.056 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.484 ' HB3' ' HA ' ' A' ' 88' ' ' PHE . 42.1 t30 -66.44 100.38 0.65 Allowed 'General case' 0 CA--C 1.505 -0.785 0 C-N-CA 118.357 -1.337 . . . . 0.0 109.754 -175.135 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.4 m . . . . . 0 C--O 1.209 -1.077 0 CA-C-O 118.259 -0.876 . . . . 0.0 109.642 -174.274 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 0.383 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' SER . . . . . 0.478 ' HG ' ' CD ' ' A' ' 40' ' ' GLU . 16.8 m -77.58 152.54 33.91 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 120.891 0.377 . . . . 0.0 111.109 179.281 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -56.83 -26.88 59.26 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 175.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.434 ' O ' ' HG2' ' B' ' 8' ' ' MET . 51.5 mt -61.59 -42.01 98.25 Favored 'General case' 0 N--CA 1.441 -0.885 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.774 179.674 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -62.41 -40.94 98.17 Favored 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 178.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 7.4 m -63.6 -46.45 85.75 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 174.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.88 -46.59 84.64 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.309 -179.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' MET . . . . . 0.434 ' HG2' ' O ' ' B' ' 4' ' ' LEU . 94.5 mmm -63.8 -41.64 97.87 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.342 -0.543 . . . . 0.0 110.929 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' B' ' 13' ' ' ASN . 69.0 mt-10 -66.7 -35.63 80.59 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 119.534 -0.867 . . . . 0.0 110.674 174.779 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' THR . . . . . 0.458 ' HA ' HD21 ' B' ' 13' ' ' ASN . 12.6 m -57.95 -42.48 85.04 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 175.562 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 99.3 mt -62.37 -42.29 99.29 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 175.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.493 ' CG2' ' CD2' ' B' ' 16' ' ' HIS . 19.7 mm -63.22 -43.27 98.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 177.532 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . 0.458 HD21 ' HA ' ' B' ' 10' ' ' THR . 94.0 m-20 -60.37 -42.84 96.64 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.389 -175.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 99.6 t -64.33 -44.39 97.24 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.834 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 174.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -59.37 -47.85 83.85 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.982 -179.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.549 ' CE1' ' HB3' ' B' ' 26' ' ' TYR . 80.0 m-70 -59.22 -42.5 91.17 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.344 177.589 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.54 -48.53 71.89 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.701 -176.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.48 ' ND1' ' HB3' ' B' ' 32' ' ' GLU . 96.6 m-70 -68.6 -40.06 80.6 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.564 176.576 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 31.5 m -54.35 -34.14 60.5 Favored 'General case' 0 C--O 1.24 0.582 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 173.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.16 -33.22 78.9 Favored Glycine 0 CA--C 1.519 0.294 0 CA-C-N 115.08 -0.964 . . . . 0.0 110.725 175.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . 0.406 ' HB2' ' O ' ' B' ' 18' ' ' HIS . 21.6 mmtp -63.39 -44.85 93.52 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.833 0.349 . . . . 0.0 110.344 -177.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.402 ' HG3' ' H ' ' B' ' 24' ' ' ASP . 16.5 pt-20 -87.19 -39.33 15.58 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.705 -0.68 . . . . 0.0 112.058 -175.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 139.44 -24.15 2.8 Favored Glycine 0 CA--C 1.523 0.537 0 C-N-CA 120.498 -0.858 . . . . 0.0 112.714 177.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . 0.402 ' H ' ' HG3' ' B' ' 22' ' ' GLU . 7.4 t70 -71.39 152.94 42.68 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 117.253 0.526 . . . . 0.0 111.085 -178.208 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.506 ' HZ2' ' CD ' ' A' ' 91' ' ' GLU . 0.0 OUTLIER -67.59 -41.1 84.63 Favored 'General case' 0 C--O 1.245 0.858 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 174.58 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.549 ' HB3' ' CE1' ' B' ' 16' ' ' HIS . 1.6 p90 -153.92 93.08 1.61 Allowed 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.325 174.093 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.474 ' HZ2' ' CD ' ' B' ' 68' ' ' GLU . 3.8 mmmm -156.94 155.46 31.39 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 106.416 -1.698 . . . . 0.0 106.416 166.489 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.401 ' O ' ' CG1' ' B' ' 69' ' ' VAL . 51.2 tp -125.22 123.77 40.27 Favored 'General case' 0 C--N 1.298 -1.633 0 C-N-CA 119.412 -0.915 . . . . 0.0 110.937 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 7.5 p -88.96 167.48 13.16 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-O 121.171 0.51 . . . . 0.0 110.656 176.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.478 ' NZ ' ' O ' ' B' ' 65' ' ' GLY . 0.0 OUTLIER -72.61 -5.29 36.27 Favored 'General case' 0 C--N 1.311 -1.085 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 176.087 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 62.9 mttm -61.85 -42.07 98.59 Favored 'General case' 0 CA--C 1.505 -0.781 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.48 ' HB3' ' ND1' ' B' ' 18' ' ' HIS . 56.2 mm-40 -109.76 -35.19 6.25 Favored 'General case' 0 N--CA 1.437 -1.082 0 CA-C-N 114.141 -1.39 . . . . 0.0 111.255 -173.695 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.438 ' CD1' ' C ' ' B' ' 33' ' ' LEU . 2.5 tm? -57.1 -48.64 78.13 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 120.449 -0.5 . . . . 0.0 111.977 -168.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.472 ' NZ ' ' O ' ' B' ' 30' ' ' LYS . 25.3 pttm -64.61 -39.06 93.04 Favored 'General case' 0 C--N 1.314 -0.969 0 C-N-CA 119.67 -0.812 . . . . 0.0 110.837 179.492 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . 0.421 ' O ' ' HG2' ' B' ' 38' ' ' GLN . 60.6 mm-40 -69.27 -49.92 51.65 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 109.098 -0.705 . . . . 0.0 109.098 179.423 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.456 ' HB3' ' O ' ' B' ' 32' ' ' GLU . 0.1 OUTLIER -63.58 -46.29 86.53 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-N 115.714 -0.675 . . . . 0.0 112.185 178.273 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.443 ' N ' ' HG ' ' B' ' 36' ' ' LEU . 2.8 tm? -62.15 -46.8 87.39 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 120.682 -0.407 . . . . 0.0 111.004 -175.248 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.421 ' HG2' ' O ' ' B' ' 35' ' ' GLU . 8.6 pt20 -66.22 -41.56 89.93 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 119.857 -0.737 . . . . 0.0 110.134 176.737 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 91.6 m -65.11 -54.25 32.8 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.791 -0.64 . . . . 0.0 112.523 -177.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.408 ' HB3' ' HB2' ' A' ' 4' ' ' LEU . 77.2 mm-40 -70.56 -37.83 74.06 Favored 'General case' 0 CA--C 1.511 -0.553 0 C-N-CA 119.985 -0.686 . . . . 0.0 112.26 -175.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 10.3 mp -95.1 34.57 1.37 Allowed 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.454 179.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 75.7 m -53.51 -43.38 68.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.611 -177.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -64.53 -47.02 88.43 Favored Glycine 0 C--N 1.321 -0.301 0 N-CA-C 110.769 -0.932 . . . . 0.0 110.769 178.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.544 ' HA ' ' SD ' ' B' ' 85' ' ' MET . 74.2 m-85 -64.58 -42.62 95.49 Favored 'General case' 0 CA--C 1.509 -0.618 0 CA-C-O 121.077 0.465 . . . . 0.0 110.058 177.627 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.479 ' O ' ' N ' ' B' ' 49' ' ' LYS . 2.3 tp -61.07 -46.87 88.92 Favored 'General case' 0 N--CA 1.44 -0.933 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.557 177.192 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -63.81 -40.75 97.39 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-O 120.949 0.404 . . . . 0.0 110.685 176.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . 0.531 ' CB ' ' SD ' ' B' ' 85' ' ' MET . . . -66.87 -36.21 81.8 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.073 179.28 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 41.2 mm-40 -110.65 11.85 22.73 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.863 -174.044 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' B' ' 45' ' ' LEU . 0.0 OUTLIER -59.58 -45.03 93.06 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.333 0.587 . . . . 0.0 110.069 -177.545 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -94.34 20.77 7.79 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 115.057 -0.974 . . . . 0.0 110.404 -177.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . 0.421 ' O ' HG12 ' B' ' 54' ' ' VAL . 64.8 t -112.57 133.5 58.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.015 -177.083 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -59.16 -34.77 72.48 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.621 -175.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.96 -35.44 61.79 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.885 -176.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.421 HG12 ' O ' ' B' ' 51' ' ' VAL . 7.7 p -58.47 -42.15 83.58 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 C-N-CA 119.815 -0.754 . . . . 0.0 109.871 -177.118 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.429 ' O ' ' N ' ' B' ' 59' ' ' LYS . 31.6 t70 -59.87 -50.15 74.91 Favored 'General case' 0 CA--C 1.506 -0.717 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.025 175.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 36.6 mttm -62.84 -43.41 98.88 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-N 115.169 -0.923 . . . . 0.0 111.221 -176.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 78.0 t -67.96 -46.25 82.23 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 CA-C-O 121.934 0.873 . . . . 0.0 109.355 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 67.3 ttp -67.26 -41.15 86.02 Favored 'General case' 0 C--N 1.305 -1.327 0 CA-C-N 114.64 -1.164 . . . . 0.0 111.878 178.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' B' ' 55' ' ' ASP . 24.1 tptp -54.25 -59.03 5.21 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.587 0.588 . . . . 0.0 112.587 -171.156 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -67.25 -40.25 86.24 Favored 'General case' 0 CA--C 1.515 -0.399 0 C-N-CA 119.625 -0.83 . . . . 0.0 111.6 -178.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -62.35 -42.2 99.2 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.36 -0.536 . . . . 0.0 110.315 178.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -63.11 -44.69 94.95 Favored 'General case' 0 N--CA 1.446 -0.639 0 C-N-CA 119.794 -0.762 . . . . 0.0 110.75 177.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -66.28 -42.11 88.89 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.179 0.514 . . . . 0.0 109.979 177.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.521 ' C ' ' H ' ' B' ' 66' ' ' ASP . 89.5 m-20 -61.68 -40.86 96.45 Favored 'General case' 0 CA--C 1.502 -0.901 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.358 178.667 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.478 ' O ' ' NZ ' ' B' ' 30' ' ' LYS . . . -71.04 46.31 0.76 Allowed Glycine 0 N--CA 1.447 -0.61 0 N-CA-C 109.569 -1.412 . . . . 0.0 109.569 176.364 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.521 ' H ' ' C ' ' B' ' 64' ' ' ASN . 42.4 t0 -61.97 -35.0 77.17 Favored 'General case' 0 CA--C 1.502 -0.866 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -127.68 -53.44 0.13 Allowed Glycine 0 C--N 1.313 -0.719 0 N-CA-C 109.879 -1.288 . . . . 0.0 109.879 177.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.474 ' CD ' ' HZ2' ' B' ' 27' ' ' LYS . 39.7 mt-10 -138.72 157.94 45.16 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 122.61 0.364 . . . . 0.0 110.402 -179.289 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.401 ' CG1' ' O ' ' B' ' 28' ' ' LEU . 2.4 p -121.49 125.89 74.14 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.999 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 169.484 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.555 ' CG ' ' N ' ' B' ' 71' ' ' PHE . 0.6 OUTLIER -93.21 174.37 7.25 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 122.174 -0.329 . . . . 0.0 111.646 -173.742 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.555 ' N ' ' CG ' ' B' ' 70' ' ' ASP . 72.3 t80 -59.42 -46.14 89.57 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 120.727 0.299 . . . . 0.0 110.872 -175.187 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . 0.456 ' NE2' ' HB1' ' A' ' 80' ' ' ALA . 7.5 mm100 -58.89 -39.29 80.99 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.337 0.589 . . . . 0.0 110.172 178.586 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -70.1 -41.79 73.55 Favored 'General case' 0 C--N 1.307 -1.242 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.749 176.123 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 28.3 t80 -61.46 -48.38 81.4 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.571 -0.74 . . . . 0.0 112.181 179.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . 0.401 HG23 ' O ' ' B' ' 72' ' ' GLN . 13.8 m -63.4 -42.75 97.42 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 C-N-CA 120.337 -0.545 . . . . 0.0 112.438 -177.781 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 11.8 p -64.57 -37.39 79.94 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.717 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 66.7 tp -61.14 -47.74 84.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.669 -179.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 19.7 m -70.54 -42.15 78.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 C-N-CA 120.254 -0.578 . . . . 0.0 110.91 176.15 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.88 -46.01 92.28 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.691 -178.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . 0.459 ' O ' HG12 ' B' ' 83' ' ' VAL . . . -61.97 -39.78 93.32 Favored 'General case' 0 N--CA 1.445 -0.721 0 C-N-CA 120.173 -0.611 . . . . 0.0 109.741 -179.472 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 97.9 mt -63.32 -41.51 98.92 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 172.233 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.459 ' HA ' ' CE1' ' B' ' 44' ' ' PHE . 17.7 m -62.11 -50.32 72.36 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.351 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . 0.459 HG12 ' O ' ' B' ' 80' ' ' ALA . 1.4 p -63.48 -41.17 91.73 Favored 'Isoleucine or valine' 0 C--O 1.238 0.464 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.208 179.012 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -56.66 -50.93 70.62 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.333 178.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 85' ' ' MET . . . . . 0.544 ' SD ' ' HA ' ' B' ' 44' ' ' PHE . 34.6 ttp -66.37 -40.1 89.54 Favored 'General case' 0 CA--C 1.51 -0.587 0 C-N-CA 120.029 -0.668 . . . . 0.0 109.452 177.563 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . 0.481 ' OD1' ' NE2' ' A' ' 16' ' ' HIS . 2.3 t-20 -62.0 -40.07 94.39 Favored 'General case' 0 N--CA 1.446 -0.651 0 C-N-CA 120.285 -0.566 . . . . 0.0 110.063 -177.801 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -59.77 -42.77 94.04 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 174.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.411 ' HA ' ' HB3' ' B' ' 92' ' ' ASN . 9.5 t80 -60.12 -44.59 94.76 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.763 172.044 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -54.01 -47.8 71.11 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 115.241 -0.891 . . . . 0.0 111.093 -170.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . 0.478 ' HE1' ' CG ' ' B' ' 86' ' ' ASN . 35.2 m95 -90.26 -72.38 0.57 Allowed 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 112.759 0.651 . . . . 0.0 112.759 -171.533 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -107.17 -40.23 5.48 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 -171.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . 0.411 ' HB3' ' HA ' ' B' ' 88' ' ' PHE . 63.6 t-20 -67.2 111.54 4.0 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.181 0.515 . . . . 0.0 111.724 -171.1 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 2.2 m . . . . . 0 C--O 1.211 -0.933 0 CA-C-O 118.319 -0.848 . . . . 0.0 110.695 -179.844 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.734 0 N-CA-C 111.254 -0.739 . . . . 0.0 111.254 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 m -71.36 164.58 25.48 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 178.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.514 ' O ' ' N ' ' A' ' 7' ' ' ALA . 56.4 mp0 -57.94 -43.39 86.33 Favored 'General case' 0 CA--C 1.514 -0.435 0 C-N-CA 120.526 -0.47 . . . . 0.0 110.068 -177.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.434 ' CD2' HG22 ' B' ' 14' ' ' VAL . 2.0 mm? -63.19 -43.12 99.07 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 178.744 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 64.4 mt-10 -64.45 -45.59 86.79 Favored 'General case' 0 C--N 1.311 -1.065 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 178.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 10' ' ' THR . 10.8 m -60.95 -44.44 97.28 Favored 'General case' 0 N--CA 1.44 -0.951 0 CA-C-N 115.134 -0.939 . . . . 0.0 109.271 175.329 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.514 ' N ' ' O ' ' A' ' 3' ' ' GLU . . . -55.86 -48.91 74.7 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 176.642 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.472 ' SD ' HD11 ' B' ' 11' ' ' LEU . 96.2 mmm -64.54 -41.18 96.5 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.302 -0.559 . . . . 0.0 110.266 178.083 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.01 -38.77 89.87 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 176.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 6' ' ' THR . 10.7 m -59.77 -44.4 93.9 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 108.018 -1.105 . . . . 0.0 108.018 177.707 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.559 HD12 ' SD ' ' B' ' 8' ' ' MET . 94.5 mt -63.0 -40.9 99.16 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.745 175.069 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.522 ' O ' ' N ' ' A' ' 16' ' ' HIS . 26.5 mm -62.37 -44.4 99.17 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.67 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 177.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -60.4 -43.21 96.91 Favored 'General case' 0 CA--C 1.5 -0.957 0 C-N-CA 120.383 -0.527 . . . . 0.0 110.306 -178.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.571 HG23 ' CD2' ' B' ' 4' ' ' LEU . 94.2 t -66.54 -48.09 81.57 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.084 0 C-N-CA 120.492 -0.483 . . . . 0.0 110.028 176.661 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.474 ' CE2' ' HB2' ' A' ' 28' ' ' LEU . 61.8 t80 -59.21 -48.32 82.06 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.521 0.677 . . . . 0.0 109.38 177.005 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.522 ' N ' ' O ' ' A' ' 12' ' ' ILE . 0.9 OUTLIER -59.39 -46.6 88.21 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 114.897 -1.047 . . . . 0.0 109.836 -179.891 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.81 -47.85 81.63 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.707 179.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -66.49 -35.36 80.06 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.655 -0.418 . . . . 0.0 111.906 -179.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 69.8 m -56.1 -41.22 74.89 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 170.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.1 -39.04 96.81 Favored Glycine 0 C--O 1.24 0.503 0 N-CA-C 110.629 -0.989 . . . . 0.0 110.629 174.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -62.53 -46.49 88.17 Favored 'General case' 0 CA--C 1.519 -0.241 0 N-CA-C 109.697 -0.482 . . . . 0.0 109.697 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.544 ' CD ' ' H ' ' A' ' 29' ' ' SER . 98.9 mt-10 -70.42 -38.4 74.59 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 176.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 122.64 -14.97 8.57 Favored Glycine 0 N--CA 1.462 0.389 0 CA-C-N 115.955 -0.566 . . . . 0.0 112.056 176.115 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -70.15 141.98 52.58 Favored 'General case' 0 CA--C 1.51 -0.584 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.191 178.36 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.443 ' HG3' ' CE1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -61.23 -41.14 96.36 Favored 'General case' 0 N--CA 1.445 -0.714 0 C-N-CA 120.691 -0.403 . . . . 0.0 110.048 179.308 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.472 ' HB3' ' CZ3' ' B' ' 90' ' ' TRP . 0.1 OUTLIER -154.89 93.6 1.57 Allowed 'General case' 0 C--O 1.239 0.545 0 CA-C-O 121.125 0.488 . . . . 0.0 111.4 170.063 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.7 mmtm -163.51 158.94 21.45 Favored 'General case' 0 CA--C 1.503 -0.842 0 CA-C-N 114.362 -1.29 . . . . 0.0 109.559 173.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.474 ' HB2' ' CE2' ' A' ' 15' ' ' PHE . 41.9 tp -124.79 127.11 46.69 Favored 'General case' 0 C--N 1.308 -1.21 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 169.788 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.544 ' H ' ' CD ' ' A' ' 22' ' ' GLU . 2.0 m -100.39 -179.71 4.19 Favored 'General case' 0 C--N 1.309 -1.173 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 -179.76 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.564 ' NZ ' ' O ' ' A' ' 61' ' ' LEU . 10.0 mmmm -74.13 -4.77 37.75 Favored 'General case' 0 C--N 1.314 -0.955 0 O-C-N 121.959 -0.463 . . . . 0.0 111.924 -177.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.97 -73.87 0.29 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.072 0.463 . . . . 0.0 110.389 -178.166 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.424 ' O ' ' HB3' ' A' ' 36' ' ' LEU . 68.7 mm-40 -62.18 -32.6 73.25 Favored 'General case' 0 CA--C 1.508 -0.646 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.958 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -57.95 -43.71 86.54 Favored 'General case' 0 C--N 1.319 -0.759 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.305 -175.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.42 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 5.3 mtmp? -64.34 -47.85 77.79 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 119.698 -0.801 . . . . 0.0 109.624 177.038 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.1 mm-40 -73.06 -46.6 50.74 Favored 'General case' 0 CA--C 1.505 -0.776 0 CA-C-N 114.935 -1.029 . . . . 0.0 111.316 -171.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.505 ' HG ' ' N ' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -62.48 -43.46 98.77 Favored 'General case' 0 C--N 1.309 -1.162 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.292 179.681 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.505 ' N ' ' HG ' ' A' ' 36' ' ' LEU . 2.8 tm? -62.07 -47.34 85.12 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.129 -0.628 . . . . 0.0 110.603 -178.693 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.42 ' HG2' ' O ' ' A' ' 34' ' ' LYS . 14.5 pt20 -66.87 -41.04 87.95 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 119.927 -0.709 . . . . 0.0 110.443 176.497 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 91.0 m -63.61 -51.63 64.45 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.656 -177.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.496 ' CD ' ' HG ' ' B' ' 2' ' ' SER . 55.2 mm-40 -79.61 -39.96 30.4 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 113.488 0.921 . . . . 0.0 113.488 -172.431 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 11.0 mp -87.2 44.5 1.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.163 0.506 . . . . 0.0 109.999 179.224 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -54.61 -42.31 71.03 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.944 -174.414 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.412 ' N ' ' OE2' ' B' ' 5' ' ' GLU . . . -71.6 -46.5 39.2 Favored Glycine 0 C--O 1.242 0.655 0 N-CA-C 111.56 -0.616 . . . . 0.0 111.56 179.493 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.438 ' O ' ' HG3' ' A' ' 48' ' ' GLN . 40.1 m-85 -68.26 -39.44 82.22 Favored 'General case' 0 CA--C 1.493 -1.233 0 CA-C-O 120.631 0.253 . . . . 0.0 110.617 178.778 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.443 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 43.6 tp -59.19 -45.9 89.84 Favored 'General case' 0 N--CA 1.437 -1.11 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.685 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.58 ' O ' ' NZ ' ' A' ' 49' ' ' LYS . 17.5 t70 -59.85 -44.68 93.99 Favored 'General case' 0 C--N 1.313 -0.981 0 C-N-CA 119.962 -0.695 . . . . 0.0 111.34 178.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.651 ' HB1' ' SD ' ' A' ' 85' ' ' MET . . . -66.3 -41.14 90.16 Favored 'General case' 0 C--N 1.314 -0.971 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 -178.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.438 ' HG3' ' O ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -77.81 -3.22 40.33 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 -175.388 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.58 ' NZ ' ' O ' ' A' ' 46' ' ' ASP . 23.8 mtmm -59.82 -39.48 85.2 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.15 -0.62 . . . . 0.0 110.246 -174.651 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -102.58 21.76 14.74 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -177.199 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.512 ' O ' ' N ' ' A' ' 53' ' ' ALA . 9.7 t -110.84 2.33 8.96 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 CA-C-O 120.771 0.319 . . . . 0.0 111.795 -177.532 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.7 t70 58.39 -40.75 0.06 Allowed 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.603 0.761 . . . . 0.0 112.974 -179.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.512 ' N ' ' O ' ' A' ' 51' ' ' VAL . . . -45.92 -31.09 1.99 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.925 0.393 . . . . 0.0 110.839 -175.462 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.435 ' O ' ' CB ' ' A' ' 58' ' ' MET . 7.2 p -58.74 -42.97 86.79 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.902 0 C-N-CA 120.421 -0.512 . . . . 0.0 110.085 177.565 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -57.83 -51.57 69.04 Favored 'General case' 0 CA--C 1.502 -0.89 0 CA-C-O 121.486 0.66 . . . . 0.0 109.725 177.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 43.5 mmtm -66.82 -43.99 82.35 Favored 'General case' 0 C--N 1.309 -1.183 0 CA-C-N 114.771 -1.104 . . . . 0.0 110.611 -176.225 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.441 HG13 HD13 ' A' ' 77' ' ' LEU . 60.0 t -67.14 -44.41 87.93 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.524 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.711 177.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.435 ' CB ' ' O ' ' A' ' 54' ' ' VAL . 44.5 ttp -60.86 -41.26 95.54 Favored 'General case' 0 N--CA 1.432 -1.375 0 CA-C-N 115.34 -0.845 . . . . 0.0 109.886 177.441 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.524 ' O ' ' N ' ' A' ' 63' ' ' GLU . 13.7 tttm -63.73 -37.02 85.8 Favored 'General case' 0 N--CA 1.435 -1.214 0 C-N-CA 120.008 -0.677 . . . . 0.0 112.71 178.138 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -53.59 -42.09 67.26 Favored 'General case' 0 C--N 1.312 -1.054 0 C-N-CA 119.438 -0.905 . . . . 0.0 109.276 177.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.564 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . 2.3 mm? -64.47 -38.39 90.86 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.39 172.633 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.502 ' HB3' ' HG3' ' A' ' 59' ' ' LYS . 29.1 t70 -61.78 -39.75 92.78 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.536 174.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.524 ' N ' ' O ' ' A' ' 59' ' ' LYS . 72.0 mm-40 -58.82 -43.57 90.66 Favored 'General case' 0 CA--C 1.507 -0.68 0 N-CA-C 106.851 -1.536 . . . . 0.0 106.851 174.548 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.602 ' C ' ' H ' ' A' ' 66' ' ' ASP . 11.1 t-20 -64.3 -9.76 19.65 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 114.296 -1.32 . . . . 0.0 110.489 176.021 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . -58.53 1.73 0.26 Allowed Glycine 0 CA--C 1.518 0.273 0 N-CA-C 109.988 -1.245 . . . . 0.0 109.988 172.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.602 ' H ' ' C ' ' A' ' 64' ' ' ASN . 37.7 t70 -58.55 -42.31 87.56 Favored 'General case' 0 CA--C 1.5 -0.969 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 175.193 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -147.42 -90.9 0.1 OUTLIER Glycine 0 N--CA 1.443 -0.841 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.395 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -142.04 166.68 24.04 Favored 'General case' 0 C--O 1.239 0.541 0 C-N-CA 122.542 0.337 . . . . 0.0 111.444 -175.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -118.44 130.02 73.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.45 0.643 . . . . 0.0 110.421 179.011 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -97.05 -172.9 2.55 Favored 'General case' 0 CA--C 1.508 -0.665 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.492 -179.119 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.462 ' CD1' HD11 ' A' ' 12' ' ' ILE . 48.8 t80 -60.23 -44.38 95.25 Favored 'General case' 0 C--N 1.307 -1.244 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.541 -179.053 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -59.53 -46.0 90.13 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.086 0.469 . . . . 0.0 110.06 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -69.25 -37.21 77.84 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.397 0.617 . . . . 0.0 110.305 178.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 30.3 t80 -60.65 -48.0 83.75 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.728 175.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.444 HG23 ' N ' ' A' ' 76' ' ' VAL . 19.4 m -63.24 -41.9 94.47 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 C-N-CA 119.883 -0.727 . . . . 0.0 111.772 -178.333 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.458 ' O ' ' N ' ' A' ' 80' ' ' ALA . 12.7 p -64.22 -37.43 79.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 C-N-CA 120.118 -0.633 . . . . 0.0 110.872 -179.101 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.441 HD13 HG13 ' A' ' 57' ' ' VAL . 50.2 tp -61.13 -49.89 75.44 Favored 'General case' 0 CA--C 1.517 -0.312 0 C-N-CA 120.177 -0.609 . . . . 0.0 110.2 179.721 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 20.6 m -67.41 -42.73 87.62 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.645 0 C-N-CA 119.884 -0.727 . . . . 0.0 110.288 176.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.64 -43.29 99.18 Favored 'General case' 0 CA--C 1.506 -0.728 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.111 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 76' ' ' VAL . . . -58.24 -47.3 84.0 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 -179.711 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 89.5 mt -62.98 -42.12 99.75 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.92 175.119 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 18.1 m -61.99 -50.76 70.77 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.499 -179.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.418 ' O ' ' N ' ' A' ' 87' ' ' ASN . 8.1 p -66.28 -37.01 78.76 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.347 0 C-N-CA 120.208 -0.597 . . . . 0.0 110.859 177.706 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -58.56 -52.51 65.36 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.416 178.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.651 ' SD ' ' HB1' ' A' ' 47' ' ' ALA . 18.9 ttp -67.97 -43.67 78.47 Favored 'General case' 0 CA--C 1.51 -0.595 0 C-N-CA 119.672 -0.811 . . . . 0.0 109.504 176.664 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.541 ' O ' ' CD1' ' A' ' 90' ' ' TRP . 85.9 m-20 -64.74 -22.54 67.0 Favored 'General case' 0 CA--C 1.504 -0.821 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.844 -176.036 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.418 ' N ' ' O ' ' A' ' 83' ' ' VAL . 31.1 t-20 -45.82 -42.82 12.76 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 176.074 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.435 ' O ' ' N ' ' A' ' 92' ' ' ASN . 70.5 t80 -62.22 -44.57 96.27 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.564 173.471 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.51 ' N ' ' O ' ' A' ' 86' ' ' ASN . 0.3 OUTLIER -58.99 -48.4 81.71 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 -175.563 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.557 ' CH2' HG22 ' B' ' 12' ' ' ILE . 6.1 m95 -58.19 -46.8 85.16 Favored 'General case' 0 CA--C 1.508 -0.638 0 C-N-CA 118.815 -1.154 . . . . 0.0 108.49 -175.055 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.429 ' CD ' ' HH ' ' B' ' 26' ' ' TYR . 91.1 mt-10 -71.72 -36.59 70.54 Favored 'General case' 0 N--CA 1.44 -0.971 0 CA-C-N 114.817 -1.083 . . . . 0.0 110.726 178.509 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' A' ' 88' ' ' PHE . 25.2 t-20 -46.79 117.84 1.82 Allowed 'General case' 0 CA--C 1.502 -0.886 0 CA-C-O 121.247 0.546 . . . . 0.0 111.459 -172.793 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 6.0 m . . . . . 0 C--O 1.201 -1.462 0 CA-C-N 115.021 -0.991 . . . . 0.0 108.383 -178.76 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.239 0.454 0 N-CA-C 110.493 -1.043 . . . . 0.0 110.493 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' SER . . . . . 0.496 ' HG ' ' CD ' ' A' ' 40' ' ' GLU . 71.3 m -82.6 168.89 16.88 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-O 121.448 0.642 . . . . 0.0 112.399 -176.31 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -55.89 -23.96 34.5 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.195 -179.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.571 ' CD2' HG23 ' A' ' 14' ' ' VAL . 1.2 mm? -60.23 -40.8 91.47 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 -179.437 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.412 ' OE2' ' N ' ' A' ' 43' ' ' GLY . 94.1 mt-10 -60.4 -45.29 94.13 Favored 'General case' 0 N--CA 1.437 -1.077 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 179.486 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 11.1 m -61.95 -46.03 91.07 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 174.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.91 -50.66 70.08 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.19 178.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' MET . . . . . 0.559 ' SD ' HD12 ' A' ' 11' ' ' LEU . 95.6 mmm -65.4 -40.85 93.91 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.104 179.412 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 -64.58 -37.61 88.17 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.188 177.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 8.1 m -58.87 -44.44 91.08 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 178.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.472 HD11 ' SD ' ' A' ' 8' ' ' MET . 84.0 mt -62.21 -40.96 97.85 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.82 174.774 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.557 HG22 ' CH2' ' A' ' 90' ' ' TRP . 15.9 mm -62.41 -44.77 99.58 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.177 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 178.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 60.1 m-80 -62.53 -42.84 99.79 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.131 0.491 . . . . 0.0 109.838 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . 0.434 HG22 ' CD2' ' A' ' 4' ' ' LEU . 45.0 t -63.67 -47.25 92.05 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.188 175.364 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.453 ' CZ ' ' HA ' ' B' ' 70' ' ' ASP . 57.4 t80 -58.06 -45.14 87.57 Favored 'General case' 0 C--N 1.313 -1.011 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 178.254 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.433 ' CD2' ' CE3' ' A' ' 90' ' ' TRP . 0.9 OUTLIER -53.26 -48.33 68.37 Favored 'General case' 0 C--O 1.24 0.591 0 CA-C-N 114.824 -1.08 . . . . 0.0 109.93 178.51 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.82 -46.08 86.73 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.969 -178.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 84.7 m-70 -66.69 -38.8 87.5 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 -176.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 73.8 m -54.6 -42.44 71.11 Favored 'General case' 0 C--O 1.243 0.729 0 CA-C-O 121.469 0.652 . . . . 0.0 109.793 177.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.11 -37.43 93.91 Favored Glycine 0 C--N 1.317 -0.524 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.376 179.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 61.9 mttm -63.31 -45.01 93.31 Favored 'General case' 0 C--O 1.242 0.664 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -177.194 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.53 ' HG3' ' CG ' ' B' ' 32' ' ' GLU . 72.2 mt-10 -73.04 -43.4 62.04 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.343 -0.543 . . . . 0.0 109.673 177.187 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 143.9 -25.7 2.08 Favored Glycine 0 CA--C 1.522 0.53 0 C-N-CA 120.997 -0.62 . . . . 0.0 113.145 175.003 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -64.38 142.18 58.51 Favored 'General case' 0 CA--C 1.511 -0.558 0 CA-C-N 117.876 0.838 . . . . 0.0 111.127 -177.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.48 ' HD2' ' CE1' ' B' ' 26' ' ' TYR . 25.8 pttt -60.46 -44.17 96.13 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.32 177.645 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.48 ' CE1' ' HD2' ' B' ' 25' ' ' LYS . 1.2 p90 -156.82 90.72 1.16 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.349 170.073 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 25.6 mmmt -166.36 169.09 14.41 Favored 'General case' 0 CA--C 1.505 -0.763 0 C-N-CA 125.436 1.495 . . . . 0.0 107.078 171.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.455 ' HB3' ' O ' ' B' ' 69' ' ' VAL . 37.5 tp -125.0 130.15 51.77 Favored 'General case' 0 C--N 1.31 -1.149 0 C-N-CA 119.904 -0.718 . . . . 0.0 110.481 174.776 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.478 ' N ' ' OE1' ' B' ' 22' ' ' GLU . 0.7 OUTLIER -97.19 -177.33 3.81 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 177.542 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.459 ' NZ ' ' O ' ' B' ' 64' ' ' ASN . 0.5 OUTLIER -82.53 -3.4 55.87 Favored 'General case' 0 C--N 1.308 -1.209 0 O-C-N 121.93 -0.481 . . . . 0.0 112.004 -173.554 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.476 ' O ' ' HG3' ' B' ' 35' ' ' GLU . 15.1 mttm -77.8 -65.77 0.93 Allowed 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 -177.567 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.626 ' O ' ' N ' ' B' ' 36' ' ' LEU . 62.4 mm-40 -65.56 -35.4 80.74 Favored 'General case' 0 C--O 1.206 -1.192 0 CA-C-N 115.166 -0.925 . . . . 0.0 112.217 -179.77 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -56.32 -44.96 80.49 Favored 'General case' 0 C--N 1.31 -1.112 0 C-N-CA 120.57 -0.452 . . . . 0.0 111.319 -170.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 30.8 mttp -63.57 -45.21 91.49 Favored 'General case' 0 C--N 1.318 -0.8 0 C-N-CA 119.335 -0.946 . . . . 0.0 109.027 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . 0.476 ' HG3' ' O ' ' B' ' 31' ' ' LYS . 1.0 OUTLIER -71.13 -39.07 72.23 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.82 -1.082 . . . . 0.0 110.584 -178.843 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.626 ' N ' ' O ' ' B' ' 32' ' ' GLU . 2.0 tp -60.04 -47.15 87.05 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.731 178.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.424 ' O ' ' HB2' ' B' ' 41' ' ' LEU . 2.6 tm? -62.61 -46.45 88.23 Favored 'General case' 0 C--N 1.314 -0.968 0 C-N-CA 120.209 -0.596 . . . . 0.0 111.028 -178.388 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -64.93 -40.09 94.5 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 119.622 -0.831 . . . . 0.0 110.588 176.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 77.3 m -62.79 -49.52 74.65 Favored 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 -175.002 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.409 ' HG3' HG13 ' B' ' 14' ' ' VAL . 35.8 mm-40 -83.4 -36.79 24.02 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.449 -0.5 . . . . 0.0 111.833 -174.122 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.51 ' O ' ' N ' ' B' ' 45' ' ' LEU . 10.6 mp -91.87 45.07 1.2 Allowed 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.498 -178.643 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 15.2 m -52.1 -44.22 64.31 Favored 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 111.83 0.307 . . . . 0.0 111.83 -172.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.81 -45.24 53.35 Favored Glycine 0 CA--C 1.528 0.896 0 N-CA-C 111.277 -0.729 . . . . 0.0 111.277 178.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.4 ' HB2' ' HB3' ' B' ' 41' ' ' LEU . 29.9 m-85 -64.82 -37.21 86.84 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-O 120.972 0.415 . . . . 0.0 110.039 176.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.51 ' N ' ' O ' ' B' ' 41' ' ' LEU . 2.3 tp -58.26 -46.43 86.01 Favored 'General case' 0 CA--C 1.505 -0.759 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.765 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.466 ' O ' ' NZ ' ' B' ' 49' ' ' LYS . 38.7 t70 -63.88 -42.72 97.43 Favored 'General case' 0 C--N 1.312 -1.063 0 C-N-CA 119.925 -0.71 . . . . 0.0 110.704 178.773 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.41 -41.12 80.87 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.964 -0.562 . . . . 0.0 112.071 -179.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.481 ' HG3' ' O ' ' B' ' 45' ' ' LEU . 0.1 OUTLIER -70.88 -7.01 42.59 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 120.443 -0.503 . . . . 0.0 111.583 -176.631 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.466 ' NZ ' ' O ' ' B' ' 46' ' ' ASP . 22.6 mtmm -59.57 -38.38 81.0 Favored 'General case' 0 CA--C 1.512 -0.485 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 -179.249 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -109.44 36.73 2.83 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.768 -176.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 54.3 t -119.51 132.8 68.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 178.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -62.77 -39.06 93.01 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 112.405 0.52 . . . . 0.0 112.405 -176.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.09 -36.0 78.5 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 113.375 0.879 . . . . 0.0 113.375 -171.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 7.7 p -53.58 -45.12 59.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 C-N-CA 120.324 -0.55 . . . . 0.0 111.0 -173.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -61.56 -39.95 92.95 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.651 -0.499 . . . . 0.0 109.651 178.053 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 36.9 mmtm -68.99 -44.55 72.6 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.911 179.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 77.3 t -62.42 -43.9 98.7 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.647 -176.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 23.4 ptp -63.39 -15.26 57.02 Favored 'General case' 0 C--N 1.317 -0.835 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.813 -177.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . 0.503 ' O ' ' N ' ' B' ' 63' ' ' GLU . 0.1 OUTLIER -60.79 -47.53 85.92 Favored 'General case' 0 CA--C 1.503 -0.864 0 C-N-CA 120.39 -0.524 . . . . 0.0 109.712 -178.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 53.2 mp0 -61.31 -39.9 92.21 Favored 'General case' 0 CA--C 1.509 -0.614 0 O-C-N 123.54 0.525 . . . . 0.0 109.678 179.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.411 ' N ' ' CD2' ' B' ' 61' ' ' LEU . 3.7 mm? -62.05 -40.76 96.84 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 175.826 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.467 ' HB3' ' NZ ' ' B' ' 59' ' ' LYS . 28.9 t70 -64.22 -42.16 96.71 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.733 173.568 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . 0.503 ' N ' ' O ' ' B' ' 59' ' ' LYS . 75.2 mm-40 -59.49 -44.21 93.13 Favored 'General case' 0 CA--C 1.505 -0.772 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 176.662 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.459 ' O ' ' NZ ' ' B' ' 30' ' ' LYS . 24.4 t-20 -67.82 6.36 0.7 Allowed 'General case' 0 C--N 1.31 -1.145 0 CA-C-N 113.728 -1.578 . . . . 0.0 110.543 175.319 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.453 ' H ' ' C ' ' B' ' 63' ' ' GLU . . . -79.58 -8.47 87.71 Favored Glycine 0 C--O 1.235 0.201 0 N-CA-C 109.896 -1.282 . . . . 0.0 109.896 178.125 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -64.25 -37.69 88.38 Favored 'General case' 0 CA--C 1.499 -1.001 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 173.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -132.16 -131.34 3.21 Favored Glycine 0 C--N 1.305 -1.142 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 -177.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -120.09 172.54 7.69 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-O 121.542 0.687 . . . . 0.0 111.614 -178.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.517 ' CG2' ' HB2' ' B' ' 73' ' ' GLU . 0.5 OUTLIER -122.66 135.29 63.22 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 CA-C-N 114.496 -1.229 . . . . 0.0 107.879 177.48 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.453 ' HA ' ' CZ ' ' B' ' 15' ' ' PHE 0.254 7.1 p30 -120.9 -156.75 0.69 Allowed 'General case' 0 C--N 1.305 -1.363 0 C-N-CA 118.899 -1.12 . . . . 0.0 110.907 175.251 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -59.15 -42.55 90.96 Favored 'General case' 0 C--N 1.289 -2.061 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 -174.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -61.82 -44.82 96.09 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.835 179.025 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.517 ' HB2' ' CG2' ' B' ' 69' ' ' VAL . 55.2 mp0 -70.14 -38.69 75.58 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 120.206 -0.597 . . . . 0.0 110.49 175.267 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -61.53 -47.59 84.89 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.022 -0.535 . . . . 0.0 112.379 -178.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 17.5 m -63.31 -41.71 93.75 Favored 'Isoleucine or valine' 0 C--O 1.237 0.413 0 C-N-CA 120.222 -0.591 . . . . 0.0 112.255 -178.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . 0.412 ' O ' ' N ' ' B' ' 80' ' ' ALA . 10.2 p -64.43 -39.21 84.76 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 C-N-CA 120.576 -0.45 . . . . 0.0 111.098 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 58.3 tp -61.23 -48.52 81.1 Favored 'General case' 0 CA--C 1.516 -0.34 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.654 -179.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 17.5 m -67.93 -41.85 85.11 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.815 0 C-N-CA 119.911 -0.716 . . . . 0.0 110.389 177.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . 0.411 ' CB ' HG22 ' A' ' 75' ' ' VAL . . . -63.81 -41.36 97.89 Favored 'General case' 0 CA--C 1.51 -0.579 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.989 178.066 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . 0.412 ' N ' ' O ' ' B' ' 76' ' ' VAL . . . -57.7 -48.6 79.09 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 178.768 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 88.3 mt -63.14 -42.82 99.55 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.319 175.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 9.4 m -63.53 -49.91 71.62 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.655 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 1.6 p -60.94 -43.71 96.49 Favored 'Isoleucine or valine' 0 C--O 1.238 0.496 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.465 178.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -58.28 -48.2 81.22 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 176.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 39.7 tpp -64.42 -40.0 94.91 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.19 178.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . 0.582 ' O ' ' CD1' ' B' ' 90' ' ' TRP . 13.7 m120 -61.37 -37.7 84.3 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.948 -177.472 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -46.33 -41.71 13.72 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-O 120.956 0.407 . . . . 0.0 110.232 -177.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -60.35 -47.23 86.94 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.687 171.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . 0.534 ' N ' ' O ' ' B' ' 86' ' ' ASN . 5.8 t80 -58.05 -47.83 81.95 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 115.627 -0.715 . . . . 0.0 112.392 -173.338 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . 0.582 ' CD1' ' O ' ' B' ' 86' ' ' ASN . 19.1 m95 -58.62 -42.47 88.31 Favored 'General case' 0 CA--C 1.509 -0.623 0 C-N-CA 120.11 -0.636 . . . . 0.0 110.548 -172.44 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -100.21 -2.33 34.17 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.45 -0.796 . . . . 0.0 111.753 -173.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . 0.513 ' C ' ' HG ' ' B' ' 93' ' ' SER . 16.3 t-20 -55.38 120.17 6.71 Favored 'General case' 0 C--O 1.241 0.636 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 179.537 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 93' ' ' SER . . . . . 0.513 ' HG ' ' C ' ' B' ' 92' ' ' ASN . 69.3 m . . . . . 0 C--O 1.201 -1.473 0 CA-C-O 118.316 -0.849 . . . . 0.0 110.708 -174.188 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.239 0.448 0 N-CA-C 110.245 -1.142 . . . . 0.0 110.245 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 m -67.45 156.91 35.47 Favored 'General case' 0 C--N 1.312 -1.036 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 178.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 56.8 mp0 -57.08 -41.14 78.26 Favored 'General case' 0 C--N 1.318 -0.773 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.231 -178.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.479 ' O ' ' HG2' ' A' ' 8' ' ' MET . 2.3 mm? -61.17 -44.17 97.72 Favored 'General case' 0 CA--C 1.514 -0.423 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 177.49 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 69.1 mt-10 -64.87 -44.18 90.55 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.572 179.032 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.0 m -61.96 -46.48 89.07 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.4 176.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.82 -48.68 77.44 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.059 -0.518 . . . . 0.0 109.851 178.047 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.479 ' HG2' ' O ' ' A' ' 4' ' ' LEU . 96.8 mmm -64.37 -41.87 96.47 Favored 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 120.481 -0.488 . . . . 0.0 111.038 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 84.9 mt-10 -65.89 -35.39 80.51 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 120.243 -0.583 . . . . 0.0 110.445 175.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 21.4 m -58.02 -43.69 86.85 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 175.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.592 HD11 ' SD ' ' B' ' 8' ' ' MET . 84.1 mt -62.37 -40.03 95.12 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.257 174.231 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.436 ' CG2' ' OD1' ' B' ' 86' ' ' ASN . 24.3 mm -61.98 -44.36 98.82 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 179.257 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 37.9 m-80 -60.6 -42.82 97.53 Favored 'General case' 0 CA--C 1.508 -0.656 0 CA-C-O 120.925 0.393 . . . . 0.0 110.142 -176.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.413 ' CG2' HD23 ' B' ' 4' ' ' LEU . 84.4 t -67.54 -43.39 87.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.708 174.319 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -57.32 -48.07 79.9 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -66.54 -36.54 82.94 Favored 'General case' 0 CA--C 1.505 -0.767 0 CA-C-N 115.81 -0.632 . . . . 0.0 112.397 176.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.09 -44.95 67.97 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 177.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.461 ' ND1' ' HB3' ' A' ' 32' ' ' GLU . 96.6 m-70 -73.75 -35.39 65.02 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 116.001 -0.545 . . . . 0.0 112.047 174.752 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 34.0 m -51.44 -34.85 36.99 Favored 'General case' 0 N--CA 1.481 1.083 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 175.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.66 -33.41 86.61 Favored Glycine 0 CA--C 1.523 0.537 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.359 179.011 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -63.76 -45.66 88.82 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.432 0.634 . . . . 0.0 109.512 -176.031 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.502 ' CG ' ' HG ' ' A' ' 29' ' ' SER . 0.0 OUTLIER -88.06 -48.77 7.49 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.24 -179.415 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.5 29.06 20.29 Favored Glycine 0 CA--C 1.529 0.952 0 CA-C-O 119.483 -0.621 . . . . 0.0 113.791 172.109 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -58.87 -46.03 88.78 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 173.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.445 ' NZ ' ' OH ' ' A' ' 26' ' ' TYR . 34.5 pttt 144.16 -53.46 0.01 OUTLIER 'General case' 0 CA--C 1.503 -0.835 0 C-N-CA 127.345 2.258 . . . . 0.0 108.992 175.445 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.577 ' CG ' ' CE3' ' B' ' 90' ' ' TRP . 1.7 p90 -148.91 92.87 2.03 Favored 'General case' 0 N--CA 1.44 -0.948 0 CA-C-N 115.062 -0.972 . . . . 0.0 110.921 167.6 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.474 ' HG2' ' O ' ' A' ' 26' ' ' TYR . 1.0 OUTLIER -164.2 176.87 8.81 Favored 'General case' 0 C--N 1.31 -1.115 0 N-CA-C 105.697 -1.964 . . . . 0.0 105.697 174.373 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.413 ' HB3' ' O ' ' A' ' 69' ' ' VAL . 51.7 tp -129.14 125.86 38.03 Favored 'General case' 0 C--N 1.305 -1.337 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 168.464 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.502 ' HG ' ' CG ' ' A' ' 22' ' ' GLU . 18.5 p -84.72 161.6 19.97 Favored 'General case' 0 N--CA 1.428 -1.554 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 178.385 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.576 ' NZ ' ' O ' ' A' ' 65' ' ' GLY . 8.0 mmmm -71.14 -5.5 32.21 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-O 121.17 0.51 . . . . 0.0 109.7 179.59 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 57.7 mttm -60.93 -47.42 86.52 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.134 -175.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.503 ' O ' ' N ' ' A' ' 36' ' ' LEU . 48.0 mm-40 -98.09 -24.41 15.33 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 114.235 -1.348 . . . . 0.0 111.796 -173.01 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.42 ' HB2' HG13 ' A' ' 69' ' ' VAL . 3.1 tm? -57.43 -46.97 82.97 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -167.733 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.448 ' CG ' ' N ' ' A' ' 35' ' ' GLU . 25.7 pttm -59.57 -45.31 92.22 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.494 0.664 . . . . 0.0 109.487 179.437 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.448 ' N ' ' CG ' ' A' ' 34' ' ' LYS . 82.2 mt-10 -68.68 -43.55 75.9 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 114.978 -1.01 . . . . 0.0 109.355 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.503 ' N ' ' O ' ' A' ' 32' ' ' GLU . 3.8 tp -61.24 -48.93 79.22 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-N 114.764 -1.107 . . . . 0.0 111.864 -178.496 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -62.27 -47.02 86.2 Favored 'General case' 0 C--N 1.31 -1.148 0 C-N-CA 119.756 -0.777 . . . . 0.0 110.721 -176.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.425 ' HB2' ' CD2' ' A' ' 45' ' ' LEU . 15.7 pt20 -66.35 -40.97 90.14 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 120.386 -0.525 . . . . 0.0 110.805 177.197 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 65.6 m -62.95 -52.1 64.31 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.417 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.65 -40.38 76.51 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -178.199 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.423 ' O ' ' N ' ' A' ' 45' ' ' LEU . 10.7 mp -94.45 46.02 1.14 Allowed 'General case' 0 C--N 1.311 -1.079 0 C-N-CA 120.983 -0.287 . . . . 0.0 111.571 -178.103 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.5 m -56.92 -44.09 82.07 Favored 'General case' 0 C--O 1.241 0.606 0 C-N-CA 120.143 -0.623 . . . . 0.0 110.452 -175.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.43 -45.39 54.62 Favored Glycine 0 C--N 1.316 -0.551 0 N-CA-C 111.494 -0.642 . . . . 0.0 111.494 178.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.44 ' CD1' ' SD ' ' A' ' 85' ' ' MET . 39.3 m-85 -69.0 -41.47 77.77 Favored 'General case' 0 CA--C 1.505 -0.751 0 CA-C-O 121.212 0.53 . . . . 0.0 110.796 -178.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.425 ' CD2' ' HB2' ' A' ' 38' ' ' GLN . 43.0 tp -61.87 -46.64 88.54 Favored 'General case' 0 N--CA 1.436 -1.164 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.969 178.552 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -63.91 -42.41 97.41 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.105 0.479 . . . . 0.0 111.394 178.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.7 -44.49 96.83 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.591 -0.731 . . . . 0.0 112.816 -174.005 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -114.8 41.96 2.26 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 -176.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.9 mtpm? -62.2 -40.62 96.68 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.329 0.585 . . . . 0.0 109.627 174.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -65.77 -20.54 66.3 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.157 -0.929 . . . . 0.0 111.613 -176.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.446 ' O ' HG12 ' A' ' 54' ' ' VAL . 3.8 t -77.95 102.94 4.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 178.704 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -47.74 -30.53 3.96 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.552 -176.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.38 -29.08 47.42 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.683 179.333 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.446 HG12 ' O ' ' A' ' 51' ' ' VAL . 9.7 p -58.38 -44.7 89.11 Favored 'Isoleucine or valine' 0 C--O 1.234 0.255 0 C-N-CA 120.162 -0.615 . . . . 0.0 109.405 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -60.89 -48.55 81.3 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-O 121.648 0.737 . . . . 0.0 109.749 177.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 47.6 mttp -64.54 -40.42 95.57 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 114.73 -1.123 . . . . 0.0 111.647 -179.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 69.6 t -59.52 -45.23 94.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 178.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 7.2 mmm -61.01 -43.88 98.23 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.161 176.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.47 ' O ' ' HG3' ' A' ' 63' ' ' GLU . 28.4 ttpp -66.55 -50.91 61.6 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.038 -0.983 . . . . 0.0 112.361 -179.377 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -62.27 -45.42 93.35 Favored 'General case' 0 C--N 1.304 -1.388 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.826 -172.128 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.419 ' HG ' ' HB2' ' A' ' 77' ' ' LEU . 3.6 mm? -64.4 -39.55 94.08 Favored 'General case' 0 C--N 1.307 -1.272 0 C-N-CA 120.007 -0.677 . . . . 0.0 109.812 174.769 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.473 ' HA ' ' CE ' ' A' ' 30' ' ' LYS . 34.4 t70 -60.97 -42.02 97.53 Favored 'General case' 0 CA--C 1.51 -0.562 0 C-N-CA 120.438 -0.505 . . . . 0.0 110.776 177.114 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.47 ' HG3' ' O ' ' A' ' 59' ' ' LYS . 48.8 mt-10 -63.73 -40.87 97.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.944 0.402 . . . . 0.0 110.101 179.217 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.421 ' C ' ' H ' ' A' ' 66' ' ' ASP . 0.7 OUTLIER -62.28 -43.71 98.2 Favored 'General case' 0 CA--C 1.505 -0.765 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.4 173.889 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.576 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . . . -73.63 49.67 1.69 Allowed Glycine 0 CA--C 1.505 -0.577 0 N-CA-C 110.221 -1.152 . . . . 0.0 110.221 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.421 ' H ' ' C ' ' A' ' 64' ' ' ASN . 4.8 t70 -63.4 -36.89 85.21 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 -178.252 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -96.96 -64.37 0.91 Allowed Glycine 0 C--N 1.32 -0.333 0 N-CA-C 110.373 -1.091 . . . . 0.0 110.373 176.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -143.0 -179.99 6.69 Favored 'General case' 0 CA--C 1.508 -0.64 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 178.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.42 HG13 ' HB2' ' A' ' 33' ' ' LEU . 2.4 p -122.49 128.38 75.36 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.916 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 168.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.601 ' CG ' ' N ' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -100.9 175.54 5.58 Favored 'General case' 0 C--N 1.314 -0.948 0 C-N-CA 120.501 -0.48 . . . . 0.0 111.767 -176.734 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.601 ' N ' ' CG ' ' A' ' 70' ' ' ASP . 77.9 t80 -60.24 -45.5 93.03 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.029 -177.069 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -60.17 -41.78 93.59 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.712 0.767 . . . . 0.0 109.268 177.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -68.08 -41.24 82.19 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 114.902 -1.044 . . . . 0.0 109.577 177.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.465 ' N ' ' O ' ' A' ' 70' ' ' ASP . 28.8 t80 -61.25 -47.62 85.18 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.619 179.274 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.446 HG22 ' N ' ' A' ' 76' ' ' VAL . 19.7 m -63.18 -41.55 93.21 Favored 'Isoleucine or valine' 0 C--O 1.236 0.384 0 C-N-CA 120.344 -0.542 . . . . 0.0 111.681 -177.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.446 ' N ' HG22 ' A' ' 75' ' ' VAL . 11.1 p -64.88 -37.65 80.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 C-N-CA 120.381 -0.528 . . . . 0.0 110.645 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.419 ' HB2' ' HG ' ' A' ' 61' ' ' LEU . 44.5 tp -61.02 -48.21 82.87 Favored 'General case' 0 CA--C 1.513 -0.462 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.478 178.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 17.8 m -68.7 -42.56 83.16 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.899 0 C-N-CA 120.048 -0.661 . . . . 0.0 111.066 177.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.402 ' CB ' HG21 ' B' ' 75' ' ' VAL . . . -62.61 -39.32 93.41 Favored 'General case' 0 CA--C 1.507 -0.677 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.498 178.462 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.532 ' CB ' HE21 ' B' ' 72' ' ' GLN . . . -56.47 -50.26 72.24 Favored 'General case' 0 CA--C 1.508 -0.649 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.4 mt -64.36 -42.07 96.39 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.604 175.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 17.8 m -62.23 -48.53 79.55 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.033 -178.159 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.419 HG12 ' HG3' ' B' ' 72' ' ' GLN . 14.5 p -61.76 -45.77 97.97 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.239 0 C-N-CA 120.12 -0.632 . . . . 0.0 109.992 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.94 -50.77 72.04 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.672 177.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.44 ' SD ' ' CD1' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -65.64 -49.52 68.35 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-O 121.19 0.519 . . . . 0.0 111.122 -178.51 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.604 ' HB3' ' CZ2' ' A' ' 90' ' ' TRP . 3.1 t-20 -62.89 -31.2 72.2 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.93 -175.152 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.506 ' HA ' ' CE3' ' A' ' 90' ' ' TRP . 0.2 OUTLIER -46.45 -35.01 5.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.41 -0.813 . . . . 0.0 110.51 176.643 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -57.08 -44.36 83.03 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.137 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 64.5 m-85 -64.96 -41.87 95.1 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.704 178.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.604 ' CZ2' ' HB3' ' A' ' 86' ' ' ASN . 9.4 m0 -64.05 -44.15 93.36 Favored 'General case' 0 CA--C 1.497 -1.081 0 CA-C-O 121.509 0.671 . . . . 0.0 109.392 -178.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.484 ' CG ' ' ND2' ' A' ' 87' ' ' ASN . 7.2 mm-40 -69.89 -47.69 61.58 Favored 'General case' 0 C--N 1.302 -1.481 0 CA-C-N 114.283 -1.326 . . . . 0.0 110.776 -176.537 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -100.05 100.19 11.03 Favored 'General case' 0 CA--C 1.506 -0.741 0 C-N-CA 120.595 -0.442 . . . . 0.0 109.941 175.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.1 m . . . . . 0 C--O 1.205 -1.276 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.585 -177.917 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.521 0 N-CA-C 110.465 -1.054 . . . . 0.0 110.465 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 6.7 m -66.09 160.0 24.88 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 120.94 0.4 . . . . 0.0 110.595 178.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.419 ' O ' ' N ' ' B' ' 7' ' ' ALA . 49.0 mt-10 -57.91 -34.89 70.32 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 175.552 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.553 ' CD2' ' N ' ' B' ' 4' ' ' LEU . 1.3 mm? -62.1 -42.34 99.12 Favored 'General case' 0 C--N 1.309 -1.194 0 CA-C-N 115.086 -0.961 . . . . 0.0 108.919 177.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -64.52 -40.57 95.86 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 177.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 17.1 m -61.17 -44.81 96.72 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.381 -0.827 . . . . 0.0 108.901 173.104 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . 0.419 ' N ' ' O ' ' B' ' 3' ' ' GLU . . . -58.35 -47.63 83.15 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.004 176.245 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' MET . . . . . 0.592 ' SD ' HD11 ' A' ' 11' ' ' LEU . 94.0 mmm -63.23 -41.42 99.11 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.788 177.601 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . 0.439 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 1.2 mm-40 -62.42 -38.84 91.24 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 176.068 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 9.5 m -60.31 -43.02 96.71 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 175.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.429 ' CD2' HD13 ' A' ' 4' ' ' LEU . 70.4 mt -61.8 -42.94 99.64 Favored 'General case' 0 C--O 1.236 0.379 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 174.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.523 HD12 ' CE2' ' B' ' 71' ' ' PHE . 21.8 mm -63.58 -45.1 98.55 Favored 'Isoleucine or valine' 0 C--O 1.237 0.439 0 CA-C-O 121.068 0.461 . . . . 0.0 109.916 -179.522 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . 0.439 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 54.7 m-80 -62.01 -43.14 99.48 Favored 'General case' 0 CA--C 1.508 -0.664 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.844 -178.449 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 89.2 t -65.3 -46.46 90.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.236 176.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.5 ' CE1' ' HB2' ' B' ' 28' ' ' LEU . 90.3 t80 -58.88 -49.03 79.3 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.845 -178.381 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.445 ' HA ' ' OG ' ' B' ' 19' ' ' SER . 8.2 m-70 -71.35 -30.72 66.5 Favored 'General case' 0 CA--C 1.506 -0.721 0 N-CA-C 113.3 0.852 . . . . 0.0 113.3 178.282 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.03 -41.03 74.35 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 173.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.499 ' HA ' ' HD3' ' B' ' 21' ' ' LYS . 85.8 m-70 -74.62 -38.42 62.56 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.549 -0.75 . . . . 0.0 112.15 174.49 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.445 ' OG ' ' HA ' ' B' ' 16' ' ' HIS . 34.6 m -50.51 -35.9 31.45 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 178.456 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -56.71 -36.26 71.1 Favored Glycine 0 CA--C 1.524 0.631 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.587 -178.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . 0.499 ' HD3' ' HA ' ' B' ' 18' ' ' HIS . 0.2 OUTLIER -63.55 -44.62 93.64 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 122.425 -0.456 . . . . 0.0 111.365 179.57 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.485 ' CD ' ' HG ' ' B' ' 29' ' ' SER . 0.0 OUTLIER -150.15 -45.55 0.13 Allowed 'General case' 0 C--O 1.236 0.352 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 -175.099 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . 0.446 ' N ' ' OE1' ' B' ' 22' ' ' GLU . . . -57.77 59.77 0.01 OUTLIER Glycine 0 CA--C 1.526 0.779 0 CA-C-N 115.581 -0.736 . . . . 0.0 113.813 -169.311 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . 0.483 ' N ' ' O ' ' B' ' 22' ' ' GLU . 6.0 t70 39.74 -156.68 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 122.882 0.473 . . . . 0.0 110.453 176.262 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.49 ' HD2' ' CZ ' ' B' ' 26' ' ' TYR . 2.4 pttt -68.14 -47.86 66.92 Favored 'General case' 0 CA--C 1.508 -0.653 0 C-N-CA 118.417 -1.313 . . . . 0.0 108.902 177.345 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.49 ' CZ ' ' HD2' ' B' ' 25' ' ' LYS . 0.1 OUTLIER -134.66 92.5 2.91 Favored 'General case' 0 N--CA 1.445 -0.675 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.649 174.422 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.422 ' HG2' ' O ' ' B' ' 26' ' ' TYR . 3.2 mmtm -165.64 -174.92 3.28 Favored 'General case' 0 CA--C 1.507 -0.688 0 C-N-CA 124.921 1.288 . . . . 0.0 108.159 171.57 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.5 ' HB2' ' CE1' ' B' ' 15' ' ' PHE . 48.4 tp -144.41 135.44 25.18 Favored 'General case' 0 C--N 1.307 -1.246 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 170.685 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.485 ' HG ' ' CD ' ' B' ' 22' ' ' GLU . 0.7 OUTLIER -102.62 163.81 12.01 Favored 'General case' 0 C--N 1.309 -1.183 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 178.907 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.516 ' NZ ' ' O ' ' B' ' 65' ' ' GLY . 0.3 OUTLIER -70.18 -6.91 37.66 Favored 'General case' 0 CA--C 1.509 -0.631 0 C-N-CA 119.49 -0.884 . . . . 0.0 109.449 -178.284 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 42.4 mttm -64.55 -47.87 77.17 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 107.603 -1.258 . . . . 0.0 107.603 -177.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.4 ' HG3' ' HB2' ' B' ' 21' ' ' LYS . 52.6 mm-40 -89.0 -42.45 11.76 Favored 'General case' 0 C--O 1.222 -0.386 0 CA-C-N 114.154 -1.384 . . . . 0.0 111.785 178.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -52.72 -47.08 67.58 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 120.627 0.251 . . . . 0.0 111.239 -168.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.4 ' HG3' ' N ' ' B' ' 35' ' ' GLU . 16.9 pttp -58.85 -44.26 90.98 Favored 'General case' 0 C--N 1.309 -1.172 0 C-N-CA 120.167 -0.613 . . . . 0.0 110.509 178.332 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . 0.4 ' N ' ' HG3' ' B' ' 34' ' ' LYS . 48.1 mm-40 -69.2 -45.89 68.79 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 122.027 0.918 . . . . 0.0 108.784 179.167 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.406 ' CD1' ' CG ' ' B' ' 40' ' ' GLU . 2.8 tp -60.83 -48.21 82.85 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 114.263 -1.335 . . . . 0.0 111.786 -178.049 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -62.62 -47.18 84.87 Favored 'General case' 0 C--N 1.311 -1.099 0 C-N-CA 120.112 -0.635 . . . . 0.0 111.105 -176.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.518 ' HB2' ' CD2' ' B' ' 45' ' ' LEU . 3.8 pt20 -66.02 -40.48 91.08 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 119.903 -0.719 . . . . 0.0 110.792 177.245 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 98.3 m -63.74 -52.36 60.78 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 115.665 -0.698 . . . . 0.0 112.25 -177.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.406 ' CG ' ' CD1' ' B' ' 36' ' ' LEU . 56.5 mm-40 -73.4 -41.01 63.83 Favored 'General case' 0 C--N 1.332 -0.155 0 C-N-CA 120.159 -0.617 . . . . 0.0 112.261 -175.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 9.6 mp -96.02 35.96 1.36 Allowed 'General case' 0 CA--C 1.51 -0.563 0 CA-C-O 121.149 0.499 . . . . 0.0 109.9 -179.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -57.88 -36.59 72.61 Favored 'General case' 0 N--CA 1.442 -0.873 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.146 -176.476 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.88 -46.34 67.71 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 176.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.444 ' O ' ' HG3' ' B' ' 48' ' ' GLN . 15.3 m-85 -66.87 -43.91 82.29 Favored 'General case' 0 CA--C 1.496 -1.117 0 CA-C-O 121.26 0.552 . . . . 0.0 110.055 176.762 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.518 ' CD2' ' HB2' ' B' ' 38' ' ' GLN . 14.6 tp -61.32 -50.05 74.53 Favored 'General case' 0 N--CA 1.434 -1.269 0 CA-C-N 115.188 -0.914 . . . . 0.0 111.881 -177.016 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -61.21 -35.42 77.14 Favored 'General case' 0 C--N 1.305 -1.327 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.062 -177.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.22 -39.54 86.97 Favored 'General case' 0 C--N 1.309 -1.178 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.306 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.525 ' CG ' ' SD ' ' B' ' 85' ' ' MET . 1.1 pp0? -125.26 38.75 4.12 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 113.758 1.021 . . . . 0.0 113.758 -176.136 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 5.7 mtpm? -61.7 -39.04 90.07 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 119.734 -0.787 . . . . 0.0 109.188 175.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -68.27 -28.81 67.53 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 114.977 -1.01 . . . . 0.0 112.208 -178.157 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 3.3 t -74.25 154.46 6.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 121.278 0.561 . . . . 0.0 112.349 -171.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.402 ' HB3' ' HD2' ' B' ' 56' ' ' LYS . 34.6 m-20 -61.91 -39.03 90.62 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.858 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -49.03 -50.18 37.56 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 112.497 0.555 . . . . 0.0 112.497 -171.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.409 ' HB ' ' OE1' ' B' ' 48' ' ' GLN . 8.5 p -58.48 -46.81 89.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 C-N-CA 119.685 -0.806 . . . . 0.0 111.305 -175.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.477 ' CG ' ' HZ2' ' B' ' 59' ' ' LYS . 26.0 t70 -60.39 -49.96 75.51 Favored 'General case' 0 CA--C 1.508 -0.655 0 C-N-CA 119.737 -0.785 . . . . 0.0 110.302 177.445 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . 0.402 ' HD2' ' HB3' ' B' ' 52' ' ' ASP . 68.0 mttm -67.17 -42.59 84.01 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-N 114.996 -1.002 . . . . 0.0 112.043 -176.029 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 47.1 t -62.78 -46.29 96.72 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.705 0 CA-C-O 121.408 0.623 . . . . 0.0 109.592 -179.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 51.8 ttp -60.84 -39.97 91.07 Favored 'General case' 0 N--CA 1.428 -1.56 0 CA-C-N 114.763 -1.108 . . . . 0.0 109.852 173.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . 0.567 ' NZ ' ' HB2' ' B' ' 59' ' ' LYS . 0.0 OUTLIER -63.23 -46.72 85.64 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.291 -179.46 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -64.13 -44.53 91.91 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.628 -0.714 . . . . 0.0 111.847 -177.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.429 ' N ' ' CD2' ' B' ' 61' ' ' LEU . 2.6 mm? -83.35 -10.78 58.26 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-O 120.984 0.421 . . . . 0.0 111.297 -176.643 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.463 ' OD1' ' NZ ' ' B' ' 30' ' ' LYS . 36.5 t70 -63.38 -37.14 86.12 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 120.581 -0.448 . . . . 0.0 111.223 -178.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.01 -48.86 79.96 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 124.043 0.839 . . . . 0.0 110.947 -174.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.507 ' C ' ' H ' ' B' ' 66' ' ' ASP . 11.5 m-80 -62.76 -41.57 99.28 Favored 'General case' 0 CA--C 1.495 -1.157 0 CA-C-O 121.224 0.535 . . . . 0.0 110.032 175.622 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.516 ' O ' ' NZ ' ' B' ' 30' ' ' LYS . . . -72.26 38.23 0.68 Allowed Glycine 0 N--CA 1.44 -1.086 0 N-CA-C 110.771 -0.932 . . . . 0.0 110.771 177.555 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.507 ' H ' ' C ' ' B' ' 64' ' ' ASN . 10.5 t70 -61.32 -38.25 86.19 Favored 'General case' 0 CA--C 1.506 -0.723 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 177.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -131.96 -42.04 0.19 Allowed Glycine 0 C--N 1.308 -0.976 0 N-CA-C 110.062 -1.215 . . . . 0.0 110.062 176.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -136.11 153.38 51.32 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.713 -0.243 . . . . 0.0 110.579 -178.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.456 ' N ' ' O ' ' B' ' 28' ' ' LEU . 2.2 p -126.69 128.34 70.96 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.06 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 170.53 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.546 ' CG ' ' N ' ' B' ' 71' ' ' PHE . 6.0 t70 -93.04 173.07 7.92 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 120.876 0.369 . . . . 0.0 111.77 -174.36 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.546 ' N ' ' CG ' ' B' ' 70' ' ' ASP . 75.8 t80 -59.03 -44.4 91.74 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.06 -178.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . 0.532 HE21 ' CB ' ' A' ' 80' ' ' ALA . 79.6 mt-30 -57.52 -43.15 84.08 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.46 -0.571 . . . . 0.0 109.46 177.475 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -69.01 -39.26 79.4 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.993 177.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -61.12 -47.8 84.58 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.63 179.289 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . 0.449 HG22 ' N ' ' B' ' 76' ' ' VAL . 20.4 m -62.78 -42.3 95.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 C-N-CA 120.155 -0.618 . . . . 0.0 111.759 -178.309 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . 0.449 ' N ' HG22 ' B' ' 75' ' ' VAL . 8.4 p -65.26 -39.39 85.25 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.596 0 C-N-CA 119.916 -0.714 . . . . 0.0 110.588 179.123 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 56.9 tp -61.56 -48.15 82.31 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.116 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.434 HG22 ' CE ' ' A' ' 8' ' ' MET . 16.5 m -68.69 -40.34 81.5 Favored 'Isoleucine or valine' 0 C--O 1.243 0.749 0 C-N-CA 120.027 -0.669 . . . . 0.0 110.464 176.691 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . 0.428 ' CB ' HG21 ' A' ' 75' ' ' VAL . . . -61.15 -40.35 93.51 Favored 'General case' 0 CA--C 1.502 -0.882 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.391 178.568 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . 0.432 ' O ' HG12 ' B' ' 83' ' ' VAL . . . -57.51 -49.03 77.65 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 -178.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 89.9 mt -63.59 -42.07 98.29 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.89 174.031 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 18.8 m -62.16 -49.56 75.34 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.395 -179.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . 0.432 HG12 ' O ' ' B' ' 80' ' ' ALA . 1.1 p -62.41 -42.41 95.5 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 179.642 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -58.55 -54.17 50.07 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.341 177.088 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 85' ' ' MET . . . . . 0.525 ' SD ' ' CG ' ' B' ' 48' ' ' GLN . 81.6 mmm -64.5 -42.73 95.66 Favored 'General case' 0 CA--C 1.51 -0.583 0 C-N-CA 120.198 -0.601 . . . . 0.0 111.589 177.639 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . 0.681 ' OD1' ' NE1' ' B' ' 90' ' ' TRP . 2.4 t-20 -64.16 -39.39 93.9 Favored 'General case' 0 C--N 1.313 -0.983 0 C-N-CA 120.263 -0.575 . . . . 0.0 109.784 179.351 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . 0.654 ' HA ' ' CE3' ' B' ' 90' ' ' TRP . 3.4 t-20 -60.25 -41.35 93.03 Favored 'General case' 0 CA--C 1.503 -0.86 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.043 174.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.531 ' O ' ' N ' ' B' ' 92' ' ' ASN . 4.4 m-85 -60.29 -42.91 96.46 Favored 'General case' 0 N--CA 1.443 -0.802 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 174.348 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -61.36 -43.41 98.92 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 177.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . 0.681 ' NE1' ' OD1' ' B' ' 86' ' ' ASN . 5.4 m0 -62.53 -51.95 65.38 Favored 'General case' 0 CA--C 1.5 -0.956 0 C-N-CA 119.116 -1.034 . . . . 0.0 108.862 -178.788 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -74.69 -47.54 31.06 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 114.422 -1.263 . . . . 0.0 112.04 -176.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . 0.531 ' N ' ' O ' ' B' ' 88' ' ' PHE . 2.1 t30 -95.43 100.6 12.34 Favored 'General case' 0 CA--C 1.498 -1.023 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 175.067 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.304 -1.391 0 CA-C-O 118.291 -0.862 . . . . 0.0 109.809 -175.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.143 0 N-CA-C 110.504 -1.038 . . . . 0.0 110.504 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -63.54 173.91 1.5 Allowed 'General case' 0 C--O 1.253 1.244 0 CA-C-O 120.909 0.385 . . . . 0.0 110.855 -178.496 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -63.49 -37.98 89.39 Favored 'General case' 0 CA--C 1.506 -0.744 0 C-N-CA 120.373 -0.531 . . . . 0.0 109.815 175.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.495 ' O ' ' HG2' ' A' ' 8' ' ' MET . 0.5 OUTLIER -59.99 -47.1 87.2 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.783 -177.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -63.07 -44.82 94.71 Favored 'General case' 0 N--CA 1.446 -0.67 0 C-N-CA 119.904 -0.719 . . . . 0.0 109.737 178.403 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.3 m -63.5 -46.75 84.66 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 115.113 -0.949 . . . . 0.0 110.94 177.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.79 -47.09 85.95 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.371 0.605 . . . . 0.0 109.693 179.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.495 ' HG2' ' O ' ' A' ' 4' ' ' LEU . 97.1 mmm -63.21 -42.01 99.22 Favored 'General case' 0 N--CA 1.443 -0.811 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.073 179.03 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.447 ' HG2' ' ND2' ' B' ' 86' ' ' ASN . 93.8 mt-10 -65.91 -33.96 77.03 Favored 'General case' 0 CA--C 1.515 -0.39 0 C-N-CA 119.951 -0.699 . . . . 0.0 111.541 175.468 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 18.6 m -56.44 -44.07 80.07 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 176.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.483 HD13 ' SD ' ' B' ' 8' ' ' MET . 97.3 mt -64.45 -39.56 94.06 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.615 172.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 17.2 mm -62.0 -43.98 98.33 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 -177.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 59.5 m-80 -61.33 -41.41 96.97 Favored 'General case' 0 CA--C 1.502 -0.904 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.698 -177.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.414 ' CG1' ' HH ' ' A' ' 74' ' ' TYR . 73.0 t -62.85 -46.05 97.31 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 174.283 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.482 ' CE1' ' HB2' ' A' ' 28' ' ' LEU . 77.0 t80 -59.87 -47.31 86.27 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.195 179.552 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.541 ' NE2' ' CE2' ' B' ' 90' ' ' TRP . 2.1 m-70 -65.96 -42.66 89.64 Favored 'General case' 0 C--O 1.245 0.836 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 178.248 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.23 -46.56 79.5 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 179.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -74.28 -31.57 62.58 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.071 176.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 70.4 m -55.66 -40.99 73.0 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-O 121.451 0.643 . . . . 0.0 109.708 178.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.02 -21.05 51.96 Favored Glycine 0 CA--C 1.526 0.726 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.88 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -65.92 -44.13 86.08 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -172.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.512 ' HG3' ' H ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -89.58 -66.29 0.94 Allowed 'General case' 0 C--O 1.236 0.384 0 N-CA-C 113.32 0.859 . . . . 0.0 113.32 -171.914 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.512 ' H ' ' HG3' ' A' ' 22' ' ' GLU . . . 176.35 -37.06 0.1 OUTLIER Glycine 0 CA--C 1.527 0.786 0 C-N-CA 120.476 -0.869 . . . . 0.0 112.949 -179.597 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -65.02 151.08 46.9 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-N 117.268 0.534 . . . . 0.0 111.578 -176.111 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.519 ' NZ ' ' OH ' ' A' ' 26' ' ' TYR . 25.1 pttt -56.63 -41.39 77.04 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.002 175.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.519 ' OH ' ' NZ ' ' A' ' 25' ' ' LYS . 14.1 p90 -157.08 93.08 1.31 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.407 0.622 . . . . 0.0 111.633 172.488 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.7 mmmm -154.03 157.97 39.85 Favored 'General case' 0 C--N 1.305 -1.343 0 N-CA-C 107.137 -1.431 . . . . 0.0 107.137 171.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.482 ' HB2' ' CE1' ' A' ' 15' ' ' PHE . 40.1 tp -121.1 120.11 34.37 Favored 'General case' 0 C--N 1.305 -1.343 0 CA-C-O 121.443 0.64 . . . . 0.0 109.624 -177.658 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.5 p -79.42 158.5 27.33 Favored 'General case' 0 N--CA 1.431 -1.386 0 CA-C-N 115.121 -0.945 . . . . 0.0 110.101 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.621 ' NZ ' ' HA ' ' A' ' 62' ' ' ASP . 12.6 mmmm -69.59 -6.13 29.08 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.799 0.809 . . . . 0.0 109.067 174.094 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -62.8 -45.3 93.3 Favored 'General case' 0 N--CA 1.441 -0.902 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 176.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.436 ' O ' ' HB3' ' A' ' 36' ' ' LEU . 59.2 mm-40 -97.79 -41.96 7.81 Favored 'General case' 0 N--CA 1.438 -1.066 0 CA-C-N 114.091 -1.413 . . . . 0.0 110.986 -176.382 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -50.46 -50.41 52.51 Favored 'General case' 0 CA--C 1.516 -0.36 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -168.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.1 pttp -64.15 -47.12 81.11 Favored 'General case' 0 C--N 1.314 -0.96 0 C-N-CA 118.877 -1.129 . . . . 0.0 111.008 179.144 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 80.0 mt-10 -69.73 -44.61 69.95 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.188 -174.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.436 ' HB3' ' O ' ' A' ' 32' ' ' GLU . 0.1 OUTLIER -63.22 -44.01 96.48 Favored 'General case' 0 C--N 1.311 -1.094 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.838 173.345 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -61.29 -45.99 92.2 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 120.49 -0.484 . . . . 0.0 110.401 -178.187 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -65.79 -44.05 86.91 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 119.605 -0.838 . . . . 0.0 111.272 177.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -64.37 -52.14 59.78 Favored 'General case' 0 N--CA 1.439 -0.989 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -177.39 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -71.85 -41.07 68.53 Favored 'General case' 0 C--O 1.238 0.488 0 C-N-CA 119.922 -0.711 . . . . 0.0 111.309 -174.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.9 mp -98.82 28.05 4.55 Favored 'General case' 0 C--O 1.242 0.691 0 CA-C-O 121.133 0.492 . . . . 0.0 110.282 -179.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.52 -33.6 60.23 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.498 -176.522 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -66.52 -49.91 52.91 Favored Glycine 0 C--N 1.317 -0.472 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 176.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.491 ' HD1' ' SD ' ' A' ' 85' ' ' MET . 40.4 m-85 -67.64 -42.6 82.03 Favored 'General case' 0 CA--C 1.489 -1.378 0 CA-C-O 121.265 0.555 . . . . 0.0 109.998 178.005 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 49.9 tp -61.49 -47.16 86.9 Favored 'General case' 0 N--CA 1.428 -1.554 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.666 -178.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -66.34 -40.08 89.63 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.827 0.346 . . . . 0.0 111.304 176.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.671 ' CB ' ' SD ' ' A' ' 85' ' ' MET . . . -62.61 -41.25 98.88 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.811 -177.221 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.407 ' NE2' ' O ' ' A' ' 44' ' ' PHE . 1.6 pp0? -129.24 39.95 3.69 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.681 0.623 . . . . 0.0 112.681 -179.5 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 46.6 tttm -60.22 -46.14 90.77 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.141 0.496 . . . . 0.0 109.663 178.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.459 ' C ' ' H ' ' A' ' 52' ' ' ASP . 17.8 t70 -69.8 -20.71 63.45 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.443 -0.799 . . . . 0.0 112.498 -177.671 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.548 ' C ' ' H ' ' A' ' 53' ' ' ALA . 84.1 t -57.74 -2.32 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -172.399 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.459 ' H ' ' C ' ' A' ' 50' ' ' ASP . 34.3 t70 61.53 -40.0 0.13 Allowed 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 175.042 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.548 ' H ' ' C ' ' A' ' 51' ' ' VAL . . . -52.18 -35.41 48.82 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 178.081 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.4 p -58.64 -42.18 84.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.155 175.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -61.47 -46.45 89.99 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.324 0.583 . . . . 0.0 109.892 175.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.6 ' CD ' ' N ' ' A' ' 56' ' ' LYS . 4.1 mptt -65.68 -40.01 91.91 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.37 -179.611 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.448 HG11 ' CD1' ' A' ' 77' ' ' LEU . 73.3 t -65.05 -44.31 95.85 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.986 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 176.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 51.2 ttm -61.67 -36.99 82.43 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 114.493 -1.23 . . . . 0.0 110.185 175.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.411 ' O ' ' HG3' ' A' ' 63' ' ' GLU . 16.4 tptp -58.61 -43.83 89.71 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.254 -177.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -60.31 -41.92 94.49 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 177.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.472 ' HG ' ' CD2' ' A' ' 77' ' ' LEU . 2.0 mm? -63.06 -41.1 99.39 Favored 'General case' 0 C--O 1.243 0.749 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.799 175.072 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.621 ' HA ' ' NZ ' ' A' ' 30' ' ' LYS . 50.9 m-20 -66.53 -41.08 89.29 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 120.547 -0.461 . . . . 0.0 111.86 175.38 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.411 ' HG3' ' O ' ' A' ' 59' ' ' LYS . 91.5 mt-10 -65.67 -46.35 79.43 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 177.466 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.484 ' C ' ' H ' ' A' ' 66' ' ' ASP . 38.5 t-20 -64.95 -42.39 94.65 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.698 178.314 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 61' ' ' LEU . . . -62.03 42.3 0.06 OUTLIER Glycine 0 N--CA 1.465 0.583 0 CA-C-N 115.735 -0.666 . . . . 0.0 113.059 -173.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.484 ' H ' ' C ' ' A' ' 64' ' ' ASN . 38.7 t70 -63.67 -37.5 87.57 Favored 'General case' 0 CA--C 1.507 -0.676 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 174.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -120.22 -68.67 0.29 Allowed Glycine 0 C--N 1.317 -0.479 0 N-CA-C 110.476 -1.05 . . . . 0.0 110.476 177.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -146.84 171.81 14.62 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -113.42 132.24 62.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 170.003 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.412 ' O ' ' N ' ' A' ' 74' ' ' TYR . 0.0 OUTLIER -92.31 -178.86 5.06 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.439 -0.504 . . . . 0.0 110.302 -177.624 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -60.42 -45.14 94.69 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.899 0.38 . . . . 0.0 110.243 179.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.497 ' O ' HG21 ' A' ' 75' ' ' VAL . 4.7 tt0 -59.52 -42.1 91.46 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 -179.744 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -70.17 -41.43 73.8 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.979 176.062 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.414 ' HH ' ' CG1' ' A' ' 14' ' ' VAL . 43.0 t80 -61.37 -47.68 84.71 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 177.597 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.497 HG21 ' O ' ' A' ' 72' ' ' GLN . 19.6 m -62.43 -42.43 95.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 C-N-CA 120.075 -0.65 . . . . 0.0 112.217 -177.763 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 12.2 p -64.26 -37.58 80.29 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.713 0 C-N-CA 120.252 -0.579 . . . . 0.0 110.355 -178.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.472 ' CD2' ' HG ' ' A' ' 61' ' ' LEU . 54.2 tp -60.73 -50.25 74.23 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.283 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 16.8 m -69.26 -42.15 81.34 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.654 177.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.44 -44.88 95.37 Favored 'General case' 0 CA--C 1.511 -0.534 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.19 -179.5 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.68 -42.13 92.22 Favored 'General case' 0 CA--C 1.509 -0.62 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.4 mt -64.33 -41.62 96.71 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.301 174.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.456 ' O ' ' HB2' ' A' ' 86' ' ' ASN . 19.4 m -61.61 -51.31 69.04 Favored 'General case' 0 N--CA 1.445 -0.705 0 C-N-CA 120.341 -0.544 . . . . 0.0 109.833 -179.004 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.457 HG23 ' CZ3' ' A' ' 90' ' ' TRP . 5.7 p -66.02 -36.84 78.44 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.218 0 C-N-CA 120.77 -0.372 . . . . 0.0 111.029 176.464 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.22 -50.7 68.74 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 120.426 -0.51 . . . . 0.0 110.4 178.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.671 ' SD ' ' CB ' ' A' ' 47' ' ' ALA . 23.1 ttp -74.95 -45.94 38.89 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 119.805 -0.758 . . . . 0.0 110.522 178.116 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.579 ' HB3' ' CZ2' ' A' ' 90' ' ' TRP . 0.5 OUTLIER -59.49 -30.06 68.28 Favored 'General case' 0 CA--C 1.507 -0.702 0 C-N-CA 120.59 -0.444 . . . . 0.0 109.963 -177.907 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.46 HD22 ' CD ' ' A' ' 91' ' ' GLU . 19.6 t-20 -54.24 -39.07 66.45 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.016 173.759 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -59.56 -45.08 92.87 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 174.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -61.2 -42.94 99.47 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 119.708 -0.797 . . . . 0.0 109.596 175.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.579 ' CZ2' ' HB3' ' A' ' 86' ' ' ASN . 15.2 m0 -67.96 -47.92 67.27 Favored 'General case' 0 CA--C 1.498 -1.043 0 CA-C-O 121.064 0.459 . . . . 0.0 110.384 -177.659 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.46 ' CD ' HD22 ' A' ' 87' ' ' ASN . 88.0 mt-10 -84.8 6.31 25.06 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.311 -179.488 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.488 ' C ' ' HG ' ' A' ' 93' ' ' SER . 46.9 t-20 -56.16 105.62 0.21 Allowed 'General case' 0 CA--C 1.509 -0.614 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 179.541 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.488 ' HG ' ' C ' ' A' ' 92' ' ' ASN . 58.6 m . . . . . 0 C--O 1.203 -1.377 0 CA-C-O 118.469 -0.777 . . . . 0.0 109.491 -175.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.359 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 40.2 m -87.4 166.57 14.73 Favored 'General case' 0 C--N 1.317 -0.812 0 O-C-N 123.706 0.298 . . . . 0.0 111.2 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.451 ' H ' ' CD ' ' B' ' 3' ' ' GLU . 1.4 mp0 -50.08 -20.56 1.0 Allowed 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.72 178.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.47 ' O ' ' HG2' ' B' ' 8' ' ' MET . 1.3 mm? -59.89 -40.58 89.21 Favored 'General case' 0 N--CA 1.436 -1.131 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 178.293 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -60.64 -43.57 97.39 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 120.169 -0.613 . . . . 0.0 109.639 176.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 8.2 m -61.72 -45.33 94.42 Favored 'General case' 0 N--CA 1.445 -0.724 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 175.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.26 -44.01 97.94 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.559 177.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' MET . . . . . 0.483 ' SD ' HD13 ' A' ' 11' ' ' LEU . 96.5 mmm -63.6 -42.61 98.23 Favored 'General case' 0 CA--C 1.514 -0.414 0 C-N-CA 120.467 -0.493 . . . . 0.0 110.477 177.452 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -68.14 -27.4 66.4 Favored 'General case' 0 N--CA 1.442 -0.852 0 C-N-CA 119.098 -1.041 . . . . 0.0 111.837 175.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 10.4 m -57.81 -43.03 85.45 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 174.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.444 ' CD2' ' CD1' ' A' ' 4' ' ' LEU . 96.9 mt -63.13 -40.35 97.33 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 174.29 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.409 HD13 ' CZ ' ' B' ' 71' ' ' PHE . 22.4 mm -63.1 -43.81 99.15 Favored 'Isoleucine or valine' 0 C--O 1.239 0.534 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 -179.495 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 47.5 m-80 -61.66 -44.63 96.59 Favored 'General case' 0 CA--C 1.506 -0.742 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.625 -175.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 26.8 m -66.26 -39.37 84.07 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.047 0 CA-C-O 121.192 0.52 . . . . 0.0 109.926 175.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -59.04 -48.79 80.3 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.172 178.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 -64.63 -40.71 95.96 Favored 'General case' 0 CA--C 1.499 -1.006 0 N-CA-C 112.011 0.375 . . . . 0.0 112.011 175.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.19 -49.82 65.91 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 179.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.447 ' ND1' ' HB3' ' B' ' 32' ' ' GLU . 96.8 m-70 -71.67 -36.28 70.59 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.428 -0.806 . . . . 0.0 112.348 177.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.475 ' HA ' ' O ' ' B' ' 27' ' ' LYS . 67.6 m -52.76 -37.64 59.78 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-O 121.284 0.564 . . . . 0.0 110.457 178.195 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.77 -25.99 59.67 Favored Glycine 0 N--CA 1.443 -0.852 0 CA-C-N 115.538 -0.756 . . . . 0.0 111.233 179.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . 0.439 ' HG3' ' CD ' ' B' ' 32' ' ' GLU . 34.2 mmtp -66.63 -47.17 73.44 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-O 120.701 0.286 . . . . 0.0 110.49 -176.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.458 ' OE1' ' N ' ' B' ' 29' ' ' SER . 3.6 pt-20 -88.65 -37.91 15.22 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.639 178.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.91 21.97 64.72 Favored Glycine 0 CA--C 1.529 0.93 0 CA-C-N 116.101 -0.499 . . . . 0.0 113.428 173.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 39.2 t70 -58.96 -47.76 83.95 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 177.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.487 ' CG ' ' H ' ' B' ' 26' ' ' TYR . 0.0 OUTLIER 160.59 -67.46 0.0 OUTLIER 'General case' 0 CA--C 1.508 -0.67 0 C-N-CA 125.191 1.396 . . . . 0.0 109.282 172.499 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.487 ' H ' ' CG ' ' B' ' 25' ' ' LYS . 0.3 OUTLIER -132.05 94.49 3.48 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 166.179 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.475 ' O ' ' HA ' ' B' ' 19' ' ' SER . 6.3 mmtp -153.49 158.39 41.27 Favored 'General case' 0 CA--C 1.467 -2.241 0 CA-C-N 115.1 -0.954 . . . . 0.0 110.363 -175.608 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.475 ' HG ' ' HB2' ' B' ' 33' ' ' LEU . 46.2 tp -125.47 117.31 23.36 Favored 'General case' 0 N--CA 1.406 -2.638 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 166.705 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.458 ' N ' ' OE1' ' B' ' 22' ' ' GLU . 11.5 p -82.31 164.58 21.02 Favored 'General case' 0 C--N 1.297 -1.687 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.41 -178.082 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.642 ' NZ ' ' HA ' ' B' ' 62' ' ' ASP . 10.5 mmmm -71.62 -5.94 37.21 Favored 'General case' 0 C--N 1.314 -0.937 0 C-N-CA 120.075 -0.65 . . . . 0.0 110.171 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 33.6 mttm -65.51 -70.77 0.22 Allowed 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 176.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.447 ' HB3' ' ND1' ' B' ' 18' ' ' HIS . 46.9 mm-40 -69.7 -35.82 75.41 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.612 -1.176 . . . . 0.0 111.633 -178.004 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.475 ' HB2' ' HG ' ' B' ' 28' ' ' LEU . 1.5 tm? -57.07 -46.26 82.62 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.948 -170.149 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.529 ' NZ ' ' HB2' ' B' ' 34' ' ' LYS . 14.7 mtmm -64.87 -46.7 80.72 Favored 'General case' 0 C--N 1.312 -1.024 0 C-N-CA 119.878 -0.729 . . . . 0.0 109.737 -178.758 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -69.47 -44.78 70.5 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.946 -178.037 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.444 ' HG ' ' N ' ' B' ' 37' ' ' LEU . 0.1 OUTLIER -64.16 -43.63 94.57 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.781 -0.367 . . . . 0.0 111.232 179.109 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.444 ' N ' ' HG ' ' B' ' 36' ' ' LEU . 2.5 tm? -62.22 -47.18 85.55 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.736 -177.578 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -65.56 -41.44 92.96 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 119.676 -0.81 . . . . 0.0 109.959 176.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 98.9 m -65.0 -53.71 41.81 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.612 -178.058 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.459 ' HB3' ' HB2' ' A' ' 4' ' ' LEU . 79.2 mm-40 -69.41 -38.64 78.03 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 111.847 0.314 . . . . 0.0 111.847 -177.582 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 10.9 mp -97.04 36.88 1.37 Allowed 'General case' 0 C--N 1.315 -0.895 0 C-N-CA 120.866 -0.334 . . . . 0.0 110.297 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 58.2 m -55.98 -44.41 78.51 Favored 'General case' 0 C--O 1.24 0.6 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.286 -176.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -66.68 -46.77 72.89 Favored Glycine 0 C--O 1.242 0.637 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 177.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.509 ' HD1' ' SD ' ' B' ' 85' ' ' MET . 5.6 m-30 -62.74 -43.51 98.62 Favored 'General case' 0 CA--C 1.51 -0.564 0 CA-C-O 121.046 0.45 . . . . 0.0 110.05 177.041 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.9 tp -60.03 -47.21 86.77 Favored 'General case' 0 C--N 1.309 -1.165 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.354 179.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.514 ' O ' ' NZ ' ' B' ' 49' ' ' LYS . 32.1 t70 -65.62 -39.19 91.22 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.932 178.757 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . 0.585 ' CB ' ' SD ' ' B' ' 85' ' ' MET . . . -62.63 -38.68 91.21 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 -173.513 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.42 ' OE1' ' HB ' ' B' ' 54' ' ' VAL . 1.0 OUTLIER -124.29 43.87 2.89 Favored 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 120.896 -0.322 . . . . 0.0 111.714 -175.072 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.514 ' NZ ' ' O ' ' B' ' 46' ' ' ASP . 39.1 mtmm -62.79 -40.09 96.27 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 176.189 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -63.56 -30.02 71.2 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.42 -1.263 . . . . 0.0 113.262 -178.113 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . 0.592 ' C ' ' H ' ' B' ' 53' ' ' ALA . 12.2 t -62.27 -24.01 33.66 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 C-N-CA 120.399 -0.521 . . . . 0.0 110.742 -174.34 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.406 ' OD2' ' NZ ' ' B' ' 56' ' ' LYS . 0.3 OUTLIER 69.16 -17.65 0.21 Allowed 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 121.127 0.489 . . . . 0.0 110.036 -177.385 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . 0.592 ' H ' ' C ' ' B' ' 51' ' ' VAL . . . -61.34 -37.62 83.98 Favored 'General case' 0 C--O 1.21 -1.0 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 177.476 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.42 ' HB ' ' OE1' ' B' ' 48' ' ' GLN . 7.2 p -59.34 -44.42 92.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 178.078 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -60.59 -49.67 76.6 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.977 0.894 . . . . 0.0 109.575 176.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . 0.406 ' NZ ' ' OD2' ' B' ' 52' ' ' ASP . 33.5 mttp -65.98 -40.35 91.15 Favored 'General case' 0 C--N 1.303 -1.426 0 CA-C-N 114.839 -1.073 . . . . 0.0 112.241 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . 0.571 ' N ' ' O ' ' B' ' 53' ' ' ALA . 75.4 t -63.6 -47.45 91.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 179.171 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 26.4 ptt? -62.63 -39.47 93.91 Favored 'General case' 0 CA--C 1.513 -0.472 0 C-N-CA 120.064 -0.654 . . . . 0.0 109.353 175.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' B' ' 63' ' ' GLU . 63.9 tttp -58.77 -46.36 87.68 Favored 'General case' 0 N--CA 1.441 -0.91 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.261 171.647 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -53.13 -41.33 64.96 Favored 'General case' 0 C--N 1.314 -0.966 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 -179.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.579 ' O ' ' N ' ' B' ' 65' ' ' GLY . 3.3 mm? -64.45 -38.06 89.69 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.586 172.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.642 ' HA ' ' NZ ' ' B' ' 30' ' ' LYS . 50.5 m-20 -67.31 -35.33 79.23 Favored 'General case' 0 C--O 1.242 0.706 0 O-C-N 121.596 -0.69 . . . . 0.0 111.287 174.439 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' B' ' 59' ' ' LYS . 67.2 mm-40 -62.41 -58.67 6.8 Favored 'General case' 0 N--CA 1.448 -0.545 0 O-C-N 123.568 0.542 . . . . 0.0 110.259 175.307 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.477 ' C ' ' H ' ' B' ' 66' ' ' ASP . 6.0 t-20 -74.18 -47.81 33.23 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 121.343 0.592 . . . . 0.0 111.419 179.436 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.579 ' N ' ' O ' ' B' ' 61' ' ' LEU . . . -73.99 43.78 1.24 Allowed Glycine 0 CA--C 1.494 -1.266 0 N-CA-C 110.038 -1.225 . . . . 0.0 110.038 -178.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.477 ' H ' ' C ' ' B' ' 64' ' ' ASN . 6.4 t70 -62.66 -36.03 81.56 Favored 'General case' 0 CA--C 1.509 -0.633 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 178.647 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -104.71 -72.77 0.88 Allowed Glycine 0 N--CA 1.449 -0.442 0 CA-C-N 114.52 -1.218 . . . . 0.0 110.891 179.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -143.08 156.09 44.74 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 123.216 0.607 . . . . 0.0 111.218 -178.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.431 ' CG1' ' O ' ' B' ' 28' ' ' LEU . 0.8 OUTLIER -123.62 129.04 74.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.447 176.109 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -92.7 -170.03 2.35 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-O 121.229 0.537 . . . . 0.0 110.141 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.409 ' CZ ' HD13 ' B' ' 12' ' ' ILE . 68.9 t80 -61.29 -45.22 95.39 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.219 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -61.34 -40.73 95.32 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.573 179.163 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.41 ' HB3' HG22 ' B' ' 69' ' ' VAL . 62.4 mm-40 -70.6 -39.96 73.5 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 121.166 0.508 . . . . 0.0 110.447 173.731 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -61.52 -48.06 82.75 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.895 -0.593 . . . . 0.0 112.592 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 16.1 m -63.96 -41.21 91.77 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 N-CA-C 112.989 0.737 . . . . 0.0 112.989 -177.141 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 12.9 p -62.86 -34.75 67.73 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.425 0 C-N-CA 120.078 -0.649 . . . . 0.0 110.966 -179.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . 0.42 ' CD2' ' HG ' ' B' ' 37' ' ' LEU . 55.1 tp -61.73 -48.61 79.94 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.088 178.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 28.4 m -70.59 -39.72 76.35 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 C-N-CA 120.299 -0.561 . . . . 0.0 110.661 177.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . 0.437 ' HA ' ' CE ' ' A' ' 8' ' ' MET . . . -62.3 -45.83 91.49 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.408 179.409 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . 0.419 ' O ' HG11 ' B' ' 83' ' ' VAL . . . -58.88 -44.25 91.07 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 94.8 mt -64.5 -41.95 96.12 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.351 175.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 21.6 m -62.28 -50.31 72.2 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.886 -179.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . 0.419 HG11 ' O ' ' B' ' 80' ' ' ALA . 7.4 p -62.35 -45.24 99.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 C-N-CA 119.663 -0.815 . . . . 0.0 110.296 179.219 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -58.08 -52.46 65.43 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.52 177.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 85' ' ' MET . . . . . 0.585 ' SD ' ' CB ' ' B' ' 47' ' ' ALA . 0.0 OUTLIER -68.46 -47.57 66.8 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.149 -0.621 . . . . 0.0 112.259 179.445 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . 0.595 ' OD1' ' NE1' ' B' ' 90' ' ' TRP . 1.6 t-20 -64.72 -34.39 78.21 Favored 'General case' 0 C--N 1.317 -0.836 0 C-N-CA 119.644 -0.822 . . . . 0.0 110.226 -175.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . 0.606 ' HA ' ' CD2' ' B' ' 90' ' ' TRP . 0.2 OUTLIER -56.36 -38.06 70.9 Favored 'General case' 0 C--O 1.239 0.518 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 176.284 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.528 ' O ' ' N ' ' B' ' 92' ' ' ASN . 90.2 t80 -58.54 -44.71 89.69 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.891 176.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 40.7 m-85 -59.29 -41.03 88.0 Favored 'General case' 0 C--N 1.318 -0.802 0 C-N-CA 119.647 -0.821 . . . . 0.0 111.177 177.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . 0.606 ' CD2' ' HA ' ' B' ' 87' ' ' ASN . 3.4 m0 -67.17 -45.67 76.31 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.884 0.373 . . . . 0.0 110.081 -179.126 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 61.8 mt-10 -107.16 6.65 28.96 Favored 'General case' 0 C--O 1.241 0.607 0 N-CA-C 114.706 1.373 . . . . 0.0 114.706 -171.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . 0.528 ' N ' ' O ' ' B' ' 88' ' ' PHE . 35.3 t30 -62.75 116.23 5.03 Favored 'General case' 0 C--O 1.245 0.841 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 177.444 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 59.6 m . . . . . 0 C--O 1.203 -1.382 0 CA-C-O 118.17 -0.919 . . . . 0.0 109.159 -176.488 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.751 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.27 177.48 0.83 Allowed 'General case' 0 C--O 1.244 0.802 0 CA-C-O 120.743 0.306 . . . . 0.0 111.128 -179.474 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 7' ' ' ALA . 42.5 mp0 -57.89 -40.9 81.38 Favored 'General case' 0 CA--C 1.508 -0.67 0 C-N-CA 120.639 -0.424 . . . . 0.0 110.364 177.282 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.444 ' N ' ' CD2' ' A' ' 4' ' ' LEU . 0.6 OUTLIER -61.2 -42.18 98.14 Favored 'General case' 0 C--N 1.312 -1.044 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 -179.745 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.475 ' CG ' ' HA ' ' B' ' 41' ' ' LEU . 46.6 mt-10 -64.21 -42.33 96.66 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 175.526 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.3 m -61.58 -44.89 96.18 Favored 'General case' 0 C--O 1.244 0.803 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.576 177.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 3' ' ' GLU . . . -58.32 -47.43 83.74 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.718 178.408 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.407 ' HG2' ' O ' ' A' ' 4' ' ' LEU . 93.7 mmm -65.07 -41.32 95.19 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.392 179.252 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -61.88 -35.72 79.15 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.941 176.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 16.5 m -59.97 -43.68 94.92 Favored 'General case' 0 C--N 1.314 -0.956 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 177.122 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.499 HD11 ' SD ' ' B' ' 8' ' ' MET . 89.1 mt -63.21 -39.55 94.95 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.536 175.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.452 HD13 ' CE2' ' A' ' 71' ' ' PHE . 22.1 mm -61.97 -43.38 97.48 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 -179.244 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 70.9 m-20 -60.28 -42.07 94.67 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 -179.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 85.7 t -63.09 -45.49 98.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.678 176.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -58.83 -46.04 88.59 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.646 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.524 ' NE2' ' CD1' ' B' ' 90' ' ' TRP . 9.6 m-70 -56.99 -46.36 82.3 Favored 'General case' 0 CA--C 1.511 -0.555 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.354 177.565 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.504 ' O ' ' HG2' ' A' ' 21' ' ' LYS . . . -57.29 -51.91 67.47 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.137 -175.048 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.457 ' CD2' HD11 ' A' ' 36' ' ' LEU . 92.0 m-70 -68.42 -37.16 80.05 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.854 -179.471 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 40.2 m -53.75 -41.84 67.54 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 178.007 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.99 -39.77 96.68 Favored Glycine 0 N--CA 1.445 -0.747 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.945 176.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.504 ' HG2' ' O ' ' A' ' 17' ' ' ALA . 33.3 mmtm -64.3 -45.24 88.82 Favored 'General case' 0 CA--C 1.507 -0.674 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.416 -175.831 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.478 ' CB ' ' HG ' ' A' ' 29' ' ' SER . 0.1 OUTLIER -72.06 -41.21 67.68 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 120.145 -0.622 . . . . 0.0 111.623 -179.104 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 136.22 -8.63 4.1 Favored Glycine 0 CA--C 1.523 0.592 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.961 175.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -80.61 149.84 29.72 Favored 'General case' 0 CA--C 1.508 -0.659 0 CA-C-N 117.501 0.651 . . . . 0.0 111.06 -178.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.498 ' HE3' ' CZ ' ' A' ' 26' ' ' TYR . 47.3 pttt -64.66 -39.55 93.88 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 172.284 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.498 ' CZ ' ' HE3' ' A' ' 25' ' ' LYS . 5.3 p90 -162.64 92.25 0.78 Allowed 'General case' 0 C--O 1.238 0.471 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.21 170.193 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.2 mmmm -163.66 162.95 24.43 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 106.076 -1.824 . . . . 0.0 106.076 170.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.451 ' HB3' ' O ' ' A' ' 69' ' ' VAL . 44.4 tp -124.04 129.15 50.42 Favored 'General case' 0 C--N 1.308 -1.222 0 C-N-CA 119.988 -0.685 . . . . 0.0 110.183 178.086 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.478 ' HG ' ' CB ' ' A' ' 22' ' ' GLU . 15.7 p -81.47 163.72 22.54 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.97 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.445 ' NZ ' ' HA ' ' A' ' 62' ' ' ASP . 7.4 mmmm -75.85 -4.2 39.43 Favored 'General case' 0 C--N 1.314 -0.953 0 C-N-CA 120.117 -0.633 . . . . 0.0 109.883 176.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 39.3 mttm -74.62 -63.23 1.29 Allowed 'General case' 0 CA--C 1.52 -0.207 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 177.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.492 ' O ' ' N ' ' A' ' 36' ' ' LEU . 75.4 mm-40 -67.11 -37.57 84.13 Favored 'General case' 0 N--CA 1.442 -0.834 0 CA-C-N 114.033 -1.44 . . . . 0.0 111.751 -177.12 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -58.68 -43.34 89.93 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.499 -0.48 . . . . 0.0 110.154 -175.388 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -62.7 -46.85 86.21 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 119.874 -0.73 . . . . 0.0 109.691 179.064 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 66.4 tt0 -65.43 -44.38 87.52 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.624 178.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 32' ' ' GLU . 17.2 tp -60.83 -48.79 80.22 Favored 'General case' 0 C--N 1.298 -1.655 0 CA-C-N 114.808 -1.087 . . . . 0.0 111.903 178.069 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -63.58 -45.65 89.42 Favored 'General case' 0 C--N 1.306 -1.283 0 C-N-CA 120.452 -0.499 . . . . 0.0 110.692 -177.122 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -68.53 -41.42 79.9 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.159 -0.616 . . . . 0.0 110.889 176.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 73.9 m -61.9 -51.12 69.47 Favored 'General case' 0 N--CA 1.442 -0.841 0 CA-C-N 115.902 -0.59 . . . . 0.0 112.024 -178.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -83.92 -35.77 23.81 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 113.116 0.784 . . . . 0.0 113.116 -174.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.4 mp -105.65 37.7 2.17 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-O 120.579 0.228 . . . . 0.0 111.279 -178.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.4 m -56.1 -39.22 71.82 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 -178.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.558 ' H ' ' N ' ' B' ' 1' ' ' GLY . . . -62.05 -50.21 67.69 Favored Glycine 0 CA--C 1.52 0.389 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.747 178.042 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.474 ' HA ' ' SD ' ' A' ' 85' ' ' MET . 33.1 m-85 -67.88 -42.24 81.52 Favored 'General case' 0 CA--C 1.499 -0.981 0 CA-C-O 121.457 0.646 . . . . 0.0 109.961 177.472 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 49.1 tp -63.06 -48.34 79.08 Favored 'General case' 0 N--CA 1.432 -1.332 0 CA-C-N 115.127 -0.942 . . . . 0.0 111.593 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -70.86 -41.31 71.57 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -178.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.578 ' HB3' ' SD ' ' A' ' 85' ' ' MET . . . -56.08 -44.56 79.1 Favored 'General case' 0 CA--C 1.509 -0.607 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.364 -175.624 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -120.09 52.22 1.15 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.236 0.541 . . . . 0.0 110.295 176.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.2 ttmm -59.65 -41.63 90.98 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.202 -175.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.455 ' C ' ' H ' ' A' ' 52' ' ' ASP . 39.0 t70 -111.57 17.21 20.21 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 -173.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.542 ' O ' ' N ' ' A' ' 53' ' ' ALA . 35.3 t -74.42 21.37 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 N-CA-C 111.79 0.293 . . . . 0.0 111.79 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.455 ' H ' ' C ' ' A' ' 50' ' ' ASP . 40.9 t0 59.39 -47.67 0.07 Allowed 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 112.788 0.662 . . . . 0.0 112.788 174.801 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.542 ' N ' ' O ' ' A' ' 51' ' ' VAL . . . -58.48 -36.54 73.9 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.808 0.337 . . . . 0.0 110.428 -178.559 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.3 p -58.8 -47.72 88.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.361 179.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.593 ' O ' ' N ' ' A' ' 59' ' ' LYS . 25.4 t70 -59.44 -48.83 80.14 Favored 'General case' 0 CA--C 1.495 -1.151 0 CA-C-O 121.132 0.491 . . . . 0.0 109.684 176.284 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.442 ' HZ3' ' CG ' ' A' ' 52' ' ' ASP . 37.0 mttp -62.68 -41.77 99.28 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.822 -176.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.454 HG11 ' CD1' ' A' ' 77' ' ' LEU . 98.5 t -62.1 -45.68 98.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 174.253 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 14.4 mmm -61.92 -40.06 94.17 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-O 121.564 0.697 . . . . 0.0 109.251 175.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.593 ' N ' ' O ' ' A' ' 55' ' ' ASP . 0.1 OUTLIER -61.07 -46.91 88.76 Favored 'General case' 0 N--CA 1.431 -1.408 0 CA-C-N 114.706 -1.134 . . . . 0.0 109.306 -176.498 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -62.04 -40.01 94.27 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.166 179.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.407 ' HG ' ' CD1' ' A' ' 77' ' ' LEU . 3.3 mm? -61.7 -39.82 92.83 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.293 -0.563 . . . . 0.0 110.176 176.357 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.445 ' HA ' ' NZ ' ' A' ' 30' ' ' LYS 0.416 5.0 m-20 -85.23 -11.05 55.78 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 115.446 1.647 . . . . 0.0 115.446 176.604 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.504 ' HG3' ' O ' ' A' ' 59' ' ' LYS . 97.7 mt-10 -64.36 -36.64 84.81 Favored 'General case' 0 CA--C 1.501 -0.934 0 N-CA-C 105.459 -2.052 . . . . 0.0 105.459 163.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.435 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . 8.2 t-20 -79.52 37.52 0.34 Allowed 'General case' 0 N--CA 1.441 -0.914 0 CA-C-N 113.541 -1.663 . . . . 0.0 108.769 167.787 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.481 ' H ' ' C ' ' A' ' 63' ' ' GLU . . . -91.95 18.37 53.72 Favored Glycine 0 CA--C 1.506 -0.527 0 N-CA-C 108.362 -1.895 . . . . 0.0 108.362 178.281 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -60.22 -43.24 96.17 Favored 'General case' 0 N--CA 1.436 -1.16 0 CA-C-N 114.255 -0.973 . . . . 0.0 110.835 -177.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -156.1 -82.73 0.04 OUTLIER Glycine 0 C--N 1.319 -0.363 0 N-CA-C 111.508 -0.637 . . . . 0.0 111.508 179.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -121.09 164.84 16.19 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.567 0.222 . . . . 0.0 111.031 -177.122 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.451 ' O ' ' HB3' ' A' ' 28' ' ' LEU . 1.6 p -120.67 129.08 76.01 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 N-CA-C 107.685 -1.228 . . . . 0.0 107.685 170.174 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.594 ' CG ' ' N ' ' A' ' 71' ' ' PHE . 1.0 OUTLIER -95.11 -179.54 4.85 Favored 'General case' 0 C--N 1.313 -1.019 0 C-N-CA 120.659 -0.417 . . . . 0.0 110.568 -175.913 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.594 ' N ' ' CG ' ' A' ' 70' ' ' ASP . 66.0 t80 -58.39 -42.83 87.97 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 -176.659 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.489 ' O ' HG22 ' A' ' 75' ' ' VAL . 27.0 mt-30 -59.27 -44.05 92.45 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.488 -179.249 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.41 ' OE1' ' N ' ' A' ' 73' ' ' GLU . 56.5 mp0 -69.62 -39.15 77.36 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.287 0.565 . . . . 0.0 109.993 176.325 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -60.73 -49.75 76.23 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.832 177.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.489 HG22 ' O ' ' A' ' 72' ' ' GLN . 24.9 m -63.94 -43.32 97.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 C-N-CA 120.13 -0.628 . . . . 0.0 112.058 -179.058 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.431 ' O ' ' N ' ' A' ' 80' ' ' ALA . 14.7 p -64.87 -38.3 82.39 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 C-N-CA 120.348 -0.541 . . . . 0.0 110.689 -179.141 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.454 ' CD1' HG11 ' A' ' 57' ' ' VAL . 49.4 tp -60.86 -49.7 76.42 Favored 'General case' 0 CA--C 1.508 -0.662 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.809 179.376 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 22.0 m -66.52 -42.1 89.56 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.04 0 C-N-CA 119.604 -0.839 . . . . 0.0 110.121 177.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.77 -42.82 99.86 Favored 'General case' 0 CA--C 1.51 -0.585 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.149 179.045 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 76' ' ' VAL . . . -57.02 -48.77 77.69 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-O 121.369 0.604 . . . . 0.0 109.841 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 87.8 mt -62.69 -40.87 98.47 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.498 -0.773 . . . . 0.0 109.159 176.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.441 ' O ' ' HB2' ' A' ' 86' ' ' ASN . 17.3 m -62.24 -51.53 67.4 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.284 179.305 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.425 HG22 ' CH2' ' A' ' 90' ' ' TRP . 5.1 p -63.17 -43.41 98.82 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.373 0 C-N-CA 119.896 -0.722 . . . . 0.0 111.226 178.654 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.0 -52.5 65.0 Favored 'General case' 0 N--CA 1.446 -0.65 0 C-N-CA 120.15 -0.62 . . . . 0.0 110.585 178.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.578 ' SD ' ' HB3' ' A' ' 47' ' ' ALA . 15.8 ttp -75.61 -42.37 51.98 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 119.816 -0.754 . . . . 0.0 111.459 -179.041 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.6 ' OD1' ' NE1' ' A' ' 90' ' ' TRP . 2.1 t-20 -63.46 -34.0 76.8 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 -178.559 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.66 ' HA ' ' CD2' ' A' ' 90' ' ' TRP . 16.4 t-20 -57.45 -38.08 73.89 Favored 'General case' 0 CA--C 1.513 -0.45 0 C-N-CA 120.424 -0.51 . . . . 0.0 109.645 175.123 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.57 ' O ' ' N ' ' A' ' 92' ' ' ASN . 90.1 t80 -59.02 -42.95 91.41 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 172.302 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.465 ' HB2' ' O ' ' A' ' 86' ' ' ASN . 20.0 m-30 -58.81 -42.92 90.28 Favored 'General case' 0 C--O 1.232 0.181 0 C-N-CA 120.282 -0.567 . . . . 0.0 109.495 174.398 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.66 ' CD2' ' HA ' ' A' ' 87' ' ' ASN . 20.2 m0 -62.84 -50.25 71.69 Favored 'General case' 0 CA--C 1.501 -0.933 0 CA-C-O 121.486 0.66 . . . . 0.0 109.512 179.605 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.476 ' CG ' ' HH ' ' B' ' 26' ' ' TYR . 95.9 mt-10 -70.54 -29.41 65.87 Favored 'General case' 0 C--N 1.3 -1.567 0 CA-C-N 114.926 -1.034 . . . . 0.0 112.358 179.601 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.57 ' N ' ' O ' ' A' ' 88' ' ' PHE . 59.3 t-20 -37.83 121.65 0.93 Allowed 'General case' 0 CA--C 1.507 -0.701 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.466 -173.71 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 60.8 m . . . . . 0 C--O 1.203 -1.364 0 CA-C-N 114.929 -1.032 . . . . 0.0 109.97 -172.414 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . 0.558 ' N ' ' H ' ' A' ' 43' ' ' GLY . . . . . . . . 0 CA--C 1.521 0.423 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 18.1 m -93.01 174.95 6.97 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.794 0.331 . . . . 0.0 111.404 -179.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 45.5 mp0 -55.86 -23.03 28.43 Favored 'General case' 0 CA--C 1.513 -0.465 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 175.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.414 ' O ' ' HG2' ' B' ' 8' ' ' MET . 2.9 mm? -61.32 -39.86 92.08 Favored 'General case' 0 N--CA 1.438 -1.033 0 CA-C-N 115.327 -0.851 . . . . 0.0 108.806 -178.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.434 ' CD ' ' H1 ' ' B' ' 1' ' ' GLY . 95.5 mt-10 -61.68 -41.06 97.05 Favored 'General case' 0 N--CA 1.446 -0.673 0 C-N-CA 119.869 -0.732 . . . . 0.0 109.308 175.361 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.448 ' O ' ' N ' ' B' ' 10' ' ' THR . 8.4 m -62.8 -45.8 90.93 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.135 0.493 . . . . 0.0 109.826 174.796 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.95 -47.47 82.82 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.53 -0.545 . . . . 0.0 109.53 177.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' MET . . . . . 0.499 ' SD ' HD11 ' A' ' 11' ' ' LEU . 97.7 mmm -63.93 -41.87 97.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.326 177.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 72.6 mt-10 -66.73 -34.54 78.07 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 120.64 -0.424 . . . . 0.0 111.502 177.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' THR . . . . . 0.448 ' N ' ' O ' ' B' ' 6' ' ' THR . 9.0 m -58.29 -43.19 87.92 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 175.148 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.437 ' HB2' ' O ' ' B' ' 8' ' ' MET . 67.7 mt -61.85 -42.06 98.59 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.687 175.247 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.457 HD11 ' CE2' ' B' ' 71' ' ' PHE . 21.1 mm -63.08 -44.16 99.38 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 CA-C-O 121.133 0.492 . . . . 0.0 109.789 -178.537 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 51.3 m-80 -62.41 -41.61 98.81 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.698 -175.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . 0.403 ' CG2' HD22 ' A' ' 4' ' ' LEU . 97.7 t -62.94 -44.22 99.49 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 176.703 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -57.38 -46.87 82.94 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 178.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -59.96 -45.3 93.12 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.231 175.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . 0.459 ' O ' ' HG2' ' B' ' 21' ' ' LYS . . . -53.46 -34.42 57.86 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.009 -178.619 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 86.8 m-70 -88.41 -36.49 16.5 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 178.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 73.4 m -57.68 -42.54 83.85 Favored 'General case' 0 C--O 1.239 0.548 0 C-N-CA 120.267 -0.573 . . . . 0.0 110.131 179.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.48 -40.28 92.02 Favored Glycine 0 N--CA 1.446 -0.634 0 N-CA-C 109.454 -1.458 . . . . 0.0 109.454 177.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . 0.459 ' HG2' ' O ' ' B' ' 17' ' ' ALA . 11.4 mmtp -71.62 -48.32 48.71 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.101 0.477 . . . . 0.0 109.839 178.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.439 ' HB2' ' HG ' ' B' ' 29' ' ' SER . 0.2 OUTLIER -66.21 -46.14 78.29 Favored 'General case' 0 C--O 1.238 0.481 0 N-CA-C 114.108 1.151 . . . . 0.0 114.108 -171.357 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 162.86 -69.53 0.22 Allowed Glycine 0 C--O 1.238 0.381 0 C-N-CA 119.292 -1.432 . . . . 0.0 112.883 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -71.14 161.18 31.55 Favored 'General case' 0 CA--C 1.509 -0.625 0 CA-C-O 121.366 0.603 . . . . 0.0 112.14 -175.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.448 ' HD2' ' CE2' ' B' ' 26' ' ' TYR . 7.0 pttm -55.52 -40.15 71.43 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 114.718 -1.128 . . . . 0.0 108.962 175.491 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.483 ' CG ' ' CE3' ' A' ' 90' ' ' TRP . 1.7 p90 -148.95 93.63 2.13 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.244 172.41 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 7.2 mmmm -159.51 158.83 32.6 Favored 'General case' 0 CA--C 1.49 -1.329 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 171.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 52.1 tp -125.45 126.44 44.93 Favored 'General case' 0 C--N 1.3 -1.577 0 C-N-CA 120.169 -0.612 . . . . 0.0 109.415 173.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.439 ' HG ' ' HB2' ' B' ' 22' ' ' GLU . 6.0 p -88.64 161.36 16.92 Favored 'General case' 0 N--CA 1.433 -1.276 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 171.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.688 ' NZ ' ' HA ' ' B' ' 62' ' ' ASP . 11.3 mmmm -69.34 -4.54 18.63 Favored 'General case' 0 C--N 1.3 -1.569 0 C-N-CA 120.284 -0.567 . . . . 0.0 110.352 -178.282 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 54.2 mttm -61.55 -47.14 86.91 Favored 'General case' 0 CA--C 1.508 -0.636 0 CA-C-N 114.916 -1.038 . . . . 0.0 109.164 -177.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.488 ' O ' ' N ' ' B' ' 36' ' ' LEU . 4.5 mt-10 -101.54 -22.14 14.57 Favored 'General case' 0 C--O 1.213 -0.857 0 CA-C-N 114.853 -1.067 . . . . 0.0 110.969 -175.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.406 ' HA ' ' HB3' ' B' ' 36' ' ' LEU . 2.8 tm? -57.39 -42.53 82.4 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 -177.738 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -62.49 -45.33 93.52 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 119.699 -0.8 . . . . 0.0 110.104 178.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -68.25 -43.98 76.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.811 0.815 . . . . 0.0 109.849 177.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.488 ' N ' ' O ' ' B' ' 32' ' ' GLU . 22.3 tp -61.08 -48.15 83.02 Favored 'General case' 0 C--N 1.304 -1.398 0 CA-C-N 114.643 -1.162 . . . . 0.0 111.966 179.151 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.466 ' C ' ' CD2' ' B' ' 37' ' ' LEU . 0.1 OUTLIER -62.37 -47.67 83.16 Favored 'General case' 0 C--N 1.316 -0.859 0 C-N-CA 120.163 -0.615 . . . . 0.0 110.343 -176.735 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -64.88 -43.45 92.9 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.298 -0.561 . . . . 0.0 110.996 176.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 70.8 m -62.73 -53.16 58.62 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.617 -177.028 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -73.82 -39.25 64.21 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 -176.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.475 ' HA ' ' CG ' ' A' ' 5' ' ' GLU . 10.8 mp -92.6 44.89 1.17 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.83 0.348 . . . . 0.0 110.49 176.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 51.6 m -53.61 -44.22 69.27 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.819 -175.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -66.76 -50.36 48.57 Favored Glycine 0 C--O 1.242 0.644 0 C-N-CA 120.649 -0.786 . . . . 0.0 111.298 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.632 ' HD1' ' SD ' ' B' ' 85' ' ' MET . 79.8 m-85 -66.42 -41.36 89.35 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-O 121.275 0.56 . . . . 0.0 110.118 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.536 ' HA ' ' NE2' ' B' ' 48' ' ' GLN . 2.0 tp -48.0 -51.36 24.23 Favored 'General case' 0 CA--C 1.504 -0.794 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.852 -179.515 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.401 ' N ' ' HG ' ' B' ' 45' ' ' LEU . 30.7 t70 -62.69 -42.37 99.6 Favored 'General case' 0 C--N 1.3 -1.553 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.923 -177.422 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . 0.62 ' HB3' ' SD ' ' B' ' 85' ' ' MET . . . -70.9 -41.15 71.67 Favored 'General case' 0 C--N 1.313 -0.993 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -175.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.589 ' HG3' ' SD ' ' B' ' 85' ' ' MET . 1.7 mt-30 -71.15 -16.51 62.54 Favored 'General case' 0 C--N 1.313 -0.987 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -171.474 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -58.19 -40.68 82.15 Favored 'General case' 0 CA--C 1.5 -0.972 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 -176.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -66.4 -30.84 71.3 Favored 'General case' 0 C--N 1.309 -1.195 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.598 178.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 54.6 t -69.2 -41.56 81.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.773 -178.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.414 ' O ' ' HB3' ' B' ' 55' ' ' ASP . 0.7 OUTLIER 73.63 -7.18 1.62 Allowed 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 115.002 -0.999 . . . . 0.0 111.539 -176.914 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.19 -37.69 78.25 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 174.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.416 ' HA ' HD22 ' B' ' 81' ' ' LEU . 7.6 p -57.08 -42.77 80.06 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.443 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.781 179.019 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.414 ' HB3' ' O ' ' B' ' 52' ' ' ASP . 1.5 t70 -53.15 -53.1 55.49 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.788 175.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 21.0 mttp -65.83 -40.86 92.18 Favored 'General case' 0 C--N 1.298 -1.638 0 CA-C-N 114.636 -1.165 . . . . 0.0 111.353 -178.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 60.0 t -62.13 -45.83 97.85 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 177.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 2.1 mtm -61.75 -42.26 98.74 Favored 'General case' 0 CA--C 1.5 -0.948 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 177.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . 0.421 ' CB ' ' HZ3' ' B' ' 59' ' ' LYS . 0.1 OUTLIER -62.39 -42.51 99.48 Favored 'General case' 0 C--N 1.305 -1.361 0 CA-C-N 114.717 -1.129 . . . . 0.0 109.831 -177.855 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' B' ' 64' ' ' ASN . 42.1 tt0 -59.39 -42.51 91.89 Favored 'General case' 0 CA--C 1.517 -0.315 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 177.032 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.475 ' O ' ' N ' ' B' ' 65' ' ' GLY . 1.9 mm? -62.4 -39.03 91.92 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.132 -0.486 . . . . 0.0 109.889 173.144 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.688 ' HA ' ' NZ ' ' B' ' 30' ' ' LYS . 59.2 m-20 -66.5 -39.35 88.66 Favored 'General case' 0 C--N 1.316 -0.867 0 C-N-CA 120.26 -0.576 . . . . 0.0 111.03 176.552 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' B' ' 59' ' ' LYS . 99.6 mt-10 -65.8 -41.74 91.56 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 172.725 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.541 ' C ' ' H ' ' B' ' 66' ' ' ASP . 2.0 m-80 -75.83 -1.55 25.76 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 114.973 -1.012 . . . . 0.0 109.833 175.53 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' B' ' 61' ' ' LEU . . . -74.75 44.19 1.47 Allowed Glycine 0 N--CA 1.449 -0.47 0 N-CA-C 108.753 -1.739 . . . . 0.0 108.753 175.141 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.541 ' H ' ' C ' ' B' ' 64' ' ' ASN . 16.9 t70 -64.11 -39.14 93.39 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 115.055 -0.573 . . . . 0.0 110.15 -176.139 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -138.11 -77.82 0.07 OUTLIER Glycine 0 C--N 1.318 -0.437 0 N-CA-C 109.942 -1.263 . . . . 0.0 109.942 178.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -133.67 166.6 22.23 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 178.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 1.8 p -110.4 125.16 67.65 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.665 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 172.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.32 -173.83 2.89 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-O 121.074 0.464 . . . . 0.0 110.455 -178.163 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.457 ' CE2' HD11 ' B' ' 12' ' ' ILE . 64.3 t80 -60.27 -44.7 95.1 Favored 'General case' 0 C--N 1.309 -1.195 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.565 179.322 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . 0.456 ' O ' HG23 ' B' ' 75' ' ' VAL . 25.4 mt-30 -59.22 -42.12 90.27 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.89 177.617 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -69.73 -41.21 75.58 Favored 'General case' 0 C--O 1.24 0.57 0 C-N-CA 119.861 -0.735 . . . . 0.0 110.762 175.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . 0.405 ' CE1' HD21 ' B' ' 36' ' ' LEU . 29.6 t80 -61.18 -48.67 80.5 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.318 178.667 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . 0.456 HG23 ' O ' ' B' ' 72' ' ' GLN . 27.6 m -64.86 -43.0 96.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 C-N-CA 120.261 -0.576 . . . . 0.0 112.5 -179.56 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 13.1 p -64.65 -39.66 86.39 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 C-N-CA 120.292 -0.563 . . . . 0.0 110.305 -178.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 52.6 tp -61.03 -48.0 83.8 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.569 -179.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 22.3 m -67.48 -42.26 86.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 C-N-CA 119.755 -0.778 . . . . 0.0 110.462 175.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.17 -41.25 97.21 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.728 -179.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . 0.491 ' O ' HG11 ' B' ' 83' ' ' VAL . . . -60.4 -44.63 95.5 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 177.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.51 ' HB3' ' OE1' ' B' ' 48' ' ' GLN . 97.4 mt -63.46 -41.75 98.62 Favored 'General case' 0 C--N 1.305 -1.326 0 CA-C-N 114.864 -1.062 . . . . 0.0 109.981 175.34 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.4 HG23 ' ND2' ' B' ' 86' ' ' ASN . 17.7 m -61.66 -48.92 78.64 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.86 177.037 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . 0.491 HG11 ' O ' ' B' ' 80' ' ' ALA . 0.4 OUTLIER -63.9 -42.11 94.72 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.354 179.683 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -51.29 -60.83 2.69 Favored 'General case' 0 C--O 1.239 0.502 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.433 -179.066 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 85' ' ' MET . . . . . 0.632 ' SD ' ' HD1' ' B' ' 44' ' ' PHE . 87.2 mtp -66.27 -41.6 89.63 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.583 -0.447 . . . . 0.0 112.03 176.702 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . 0.479 ' O ' ' CD1' ' B' ' 90' ' ' TRP . 28.3 m-80 -62.24 -40.27 95.62 Favored 'General case' 0 CA--C 1.497 -1.065 0 C-N-CA 119.86 -0.736 . . . . 0.0 111.671 -179.395 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . 0.49 ' HA ' ' CE3' ' B' ' 90' ' ' TRP . 3.4 t30 -58.64 -40.68 84.08 Favored 'General case' 0 N--CA 1.443 -0.789 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 175.654 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.63 ' O ' ' N ' ' B' ' 92' ' ' ASN . 56.4 t80 -61.07 -45.23 95.58 Favored 'General case' 0 C--O 1.212 -0.887 0 C-N-CA 120.08 -0.648 . . . . 0.0 110.38 170.157 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 19.6 m-30 -57.41 -43.59 83.89 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.073 -0.651 . . . . 0.0 109.711 178.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . 0.524 ' CD1' ' NE2' ' A' ' 16' ' ' HIS . 10.7 m0 -64.14 -50.16 69.3 Favored 'General case' 0 CA--C 1.503 -0.865 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 179.224 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -71.28 -31.52 67.57 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 114.961 -1.018 . . . . 0.0 112.446 -178.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . 0.63 ' N ' ' O ' ' B' ' 88' ' ' PHE . 54.9 t-20 -47.53 108.01 0.14 Allowed 'General case' 0 C--O 1.24 0.591 0 CA-C-O 121.374 0.607 . . . . 0.0 110.6 -175.583 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 9.9 m . . . . . 0 C--O 1.207 -1.139 0 CA-C-N 115.132 -0.94 . . . . 0.0 108.935 -177.358 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.638 0 N-CA-C 111.109 -0.796 . . . . 0.0 111.109 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -73.12 157.42 37.28 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 179.086 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -59.35 -38.28 80.0 Favored 'General case' 0 CA--C 1.507 -0.684 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 175.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.481 ' O ' ' HG2' ' A' ' 8' ' ' MET . 4.3 mm? -61.54 -44.47 96.98 Favored 'General case' 0 C--N 1.314 -0.95 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 178.027 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.414 ' HG2' ' CD1' ' B' ' 44' ' ' PHE . 99.4 mt-10 -64.39 -42.4 96.14 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.067 -0.969 . . . . 0.0 109.674 175.558 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.1 m -61.22 -45.73 93.36 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.555 178.148 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.29 -41.84 97.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.099 177.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.481 ' HG2' ' O ' ' A' ' 4' ' ' LEU . 93.1 mmm -64.47 -40.8 96.36 Favored 'General case' 0 C--O 1.238 0.493 0 C-N-CA 120.603 -0.439 . . . . 0.0 110.964 177.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -64.21 -38.11 89.87 Favored 'General case' 0 CA--C 1.515 -0.371 0 C-N-CA 120.053 -0.659 . . . . 0.0 109.891 176.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 18.0 m -57.11 -46.04 82.93 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.401 HD13 ' SD ' ' B' ' 8' ' ' MET . 94.7 mt -63.85 -41.18 97.85 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.256 175.6 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 24.1 mm -62.89 -43.25 98.79 Favored 'Isoleucine or valine' 0 C--O 1.237 0.42 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.199 178.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -59.46 -44.53 92.97 Favored 'General case' 0 CA--C 1.509 -0.611 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 -178.06 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.448 ' CG1' HD12 ' A' ' 36' ' ' LEU . 74.3 t -67.29 -43.81 87.82 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.312 175.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.437 ' CE1' ' HB2' ' A' ' 28' ' ' LEU . 69.5 t80 -57.85 -46.63 84.5 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.615 ' NE2' ' OD1' ' B' ' 86' ' ' ASN . 11.9 m-70 -60.49 -48.0 83.68 Favored 'General case' 0 CA--C 1.503 -0.862 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.975 179.522 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.509 ' O ' ' HG2' ' A' ' 21' ' ' LYS . . . -55.28 -50.19 70.16 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.933 -175.807 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -67.49 -40.29 85.22 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 177.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 28.0 m -56.96 -41.42 78.27 Favored 'General case' 0 C--O 1.24 0.581 0 CA-C-O 121.706 0.765 . . . . 0.0 109.05 175.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.99 -40.09 95.04 Favored Glycine 0 N--CA 1.444 -0.79 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.211 -179.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.509 ' HG2' ' O ' ' A' ' 17' ' ' ALA . 43.2 mmtm -66.65 -48.37 69.6 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.757 -0.377 . . . . 0.0 111.32 -174.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.489 ' HG2' ' HD2' ' A' ' 31' ' ' LYS . 70.9 mt-10 -70.14 -44.92 67.88 Favored 'General case' 0 C--O 1.24 0.573 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.17 -171.179 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 152.71 -25.46 0.84 Allowed Glycine 0 CA--C 1.533 1.193 0 C-N-CA 119.7 -1.238 . . . . 0.0 114.525 176.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.492 ' CB ' ' HB2' ' A' ' 27' ' ' LYS . 6.3 t70 -77.38 160.74 28.54 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 117.924 0.862 . . . . 0.0 112.366 -175.535 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.489 ' HB3' ' CD2' ' A' ' 26' ' ' TYR 0.254 74.2 mmtt -62.81 -49.41 75.06 Favored 'General case' 0 CA--C 1.486 -1.518 0 N-CA-C 107.292 -1.373 . . . . 0.0 107.292 171.345 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.489 ' CD2' ' HB3' ' A' ' 25' ' ' LYS . 1.1 p90 -158.33 92.52 1.16 Allowed 'General case' 0 N--CA 1.416 -2.126 0 CA-C-N 113.602 -1.636 . . . . 0.0 109.988 178.528 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.492 ' HB2' ' CB ' ' A' ' 24' ' ' ASP . 21.5 mmmt -156.31 157.23 35.35 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 106.09 -1.818 . . . . 0.0 106.09 172.615 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.437 ' HB2' ' CE1' ' A' ' 15' ' ' PHE . 38.3 tp -123.05 127.94 49.46 Favored 'General case' 0 C--N 1.302 -1.491 0 C-N-CA 119.784 -0.766 . . . . 0.0 109.18 176.638 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.473 ' HG ' ' CD ' ' A' ' 22' ' ' GLU . 0.9 OUTLIER -105.01 -178.33 3.62 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 179.942 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.57 ' CE ' ' HA ' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -82.74 -5.42 58.9 Favored 'General case' 0 C--N 1.307 -1.248 0 C-N-CA 119.601 -0.839 . . . . 0.0 111.664 -175.335 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.489 ' HD2' ' HG2' ' A' ' 22' ' ' GLU . 35.8 mttt -65.56 -45.42 83.4 Favored 'General case' 0 CA--C 1.505 -0.779 0 N-CA-C 107.651 -1.24 . . . . 0.0 107.651 179.059 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.519 ' O ' ' N ' ' A' ' 36' ' ' LEU . 74.8 mm-40 -97.25 -40.68 8.65 Favored 'General case' 0 N--CA 1.431 -1.389 0 CA-C-N 113.908 -1.496 . . . . 0.0 112.093 -174.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.412 ' HG ' HG11 ' A' ' 69' ' ' VAL . 2.7 tm? -58.87 -44.94 91.18 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 120.947 -0.301 . . . . 0.0 111.434 -172.423 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.4 mtpp -61.71 -42.01 98.38 Favored 'General case' 0 C--N 1.313 -1.021 0 C-N-CA 120.159 -0.616 . . . . 0.0 109.528 -179.174 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -72.67 -43.6 62.93 Favored 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.551 177.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.519 ' N ' ' O ' ' A' ' 32' ' ' GLU . 2.9 tp -61.45 -48.53 80.73 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.214 -0.903 . . . . 0.0 112.321 -178.695 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.505 ' CD1' ' SD ' ' A' ' 58' ' ' MET . 2.8 tm? -62.5 -46.57 87.85 Favored 'General case' 0 C--N 1.317 -0.846 0 C-N-CA 119.935 -0.706 . . . . 0.0 110.962 -174.364 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -65.57 -42.69 91.49 Favored 'General case' 0 C--N 1.316 -0.861 0 C-N-CA 120.146 -0.621 . . . . 0.0 110.24 176.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 97.8 m -64.16 -52.38 59.29 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 112.832 0.678 . . . . 0.0 112.832 -176.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -76.15 -39.87 53.96 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 113.255 0.835 . . . . 0.0 113.255 -174.243 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.2 mp -87.32 38.08 0.8 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.027 0.441 . . . . 0.0 111.126 -179.009 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -41.83 -56.14 2.81 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-N 115.569 -0.741 . . . . 0.0 112.151 -178.346 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -66.05 -43.79 92.72 Favored Glycine 0 C--N 1.317 -0.492 0 N-CA-C 111.67 -0.572 . . . . 0.0 111.67 -178.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.604 ' HA ' ' SD ' ' A' ' 85' ' ' MET . 47.4 m-85 -66.79 -42.66 85.65 Favored 'General case' 0 CA--C 1.498 -1.032 0 CA-C-O 121.261 0.553 . . . . 0.0 109.952 179.476 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 49.6 tp -61.71 -47.82 83.56 Favored 'General case' 0 N--CA 1.432 -1.346 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.365 177.036 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -62.77 -42.43 99.68 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.143 0.497 . . . . 0.0 110.791 177.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.626 ' HB3' ' SD ' ' A' ' 85' ' ' MET . . . -75.14 -10.19 59.24 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.799 -178.319 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 44.4 mm-40 -111.57 3.23 17.83 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 -177.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -60.54 -32.9 71.93 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 177.229 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -81.2 8.88 7.83 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.375 -0.829 . . . . 0.0 110.914 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.434 ' O ' HG13 ' A' ' 54' ' ' VAL . 75.5 t -120.08 130.67 74.02 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 CA-C-O 121.416 0.627 . . . . 0.0 110.91 -176.374 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -65.37 -39.94 92.92 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.389 177.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.05 -35.17 70.95 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.475 -0.784 . . . . 0.0 113.107 -171.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.434 HG13 ' O ' ' A' ' 51' ' ' VAL . 7.1 p -57.59 -46.66 86.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 C-N-CA 119.744 -0.782 . . . . 0.0 111.001 -175.546 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -58.47 -48.8 79.58 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.12 0.486 . . . . 0.0 110.089 177.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -65.98 -41.33 91.3 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.769 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 57.9 t -60.44 -46.07 95.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 174.465 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.505 ' SD ' ' CD1' ' A' ' 37' ' ' LEU . 30.4 mmm -62.09 -44.25 97.07 Favored 'General case' 0 CA--C 1.504 -0.798 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.012 178.638 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.487 ' O ' ' HG2' ' A' ' 63' ' ' GLU . 20.9 tptp -67.65 -46.44 72.43 Favored 'General case' 0 N--CA 1.435 -1.21 0 CA-C-N 114.843 -1.071 . . . . 0.0 111.028 -176.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 -58.84 -46.29 88.07 Favored 'General case' 0 C--O 1.241 0.614 0 C-N-CA 120.351 -0.54 . . . . 0.0 109.737 179.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.403 ' N ' ' CD2' ' A' ' 61' ' ' LEU . 1.8 mm? -63.7 -40.22 96.24 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.45 174.776 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.57 ' HA ' ' CE ' ' A' ' 30' ' ' LYS . 36.2 t70 -61.43 -42.71 99.18 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 120.273 -0.571 . . . . 0.0 110.452 177.47 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.487 ' HG2' ' O ' ' A' ' 59' ' ' LYS . 74.0 mm-40 -57.32 -46.25 83.44 Favored 'General case' 0 CA--C 1.512 -0.517 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 178.394 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.53 ' C ' ' H ' ' A' ' 66' ' ' ASP . 10.0 t-20 -65.23 -41.88 93.95 Favored 'General case' 0 CA--C 1.502 -0.88 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.443 178.346 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.551 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . . . -69.88 40.61 0.43 Allowed Glycine 0 C--O 1.238 0.404 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 178.377 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.53 ' H ' ' C ' ' A' ' 64' ' ' ASN . 32.7 t70 -63.77 -35.06 79.34 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 177.261 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -108.98 -66.53 0.58 Allowed Glycine 0 C--N 1.32 -0.348 0 N-CA-C 109.302 -1.519 . . . . 0.0 109.302 175.181 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -138.9 170.48 15.91 Favored 'General case' 0 CA--C 1.511 -0.526 0 CA-C-O 120.658 0.266 . . . . 0.0 110.366 177.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.418 ' O ' ' HB3' ' A' ' 28' ' ' LEU . 1.5 p -125.41 129.58 72.93 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.099 0 N-CA-C 107.542 -1.281 . . . . 0.0 107.542 169.567 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -94.03 -179.89 5.11 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 119.733 -0.787 . . . . 0.0 111.851 -174.124 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 48.1 t80 -61.25 -44.57 97.03 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.948 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.418 HE21 HG11 ' B' ' 83' ' ' VAL . 76.7 mt-30 -59.93 -44.3 94.43 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.992 179.015 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.465 ' HA ' HG13 ' A' ' 76' ' ' VAL . 61.2 mt-10 -66.48 -40.6 89.42 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 121.1 0.476 . . . . 0.0 110.524 174.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -60.37 -47.96 83.81 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.435 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.507 HG21 ' N ' ' A' ' 76' ' ' VAL . 18.6 m -63.47 -42.86 97.7 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 C-N-CA 119.645 -0.822 . . . . 0.0 111.422 179.219 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.507 ' N ' HG21 ' A' ' 75' ' ' VAL . 14.1 p -67.49 -37.35 78.7 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.759 0 C-N-CA 119.922 -0.711 . . . . 0.0 110.915 -179.221 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 53.2 tp -60.78 -47.66 85.32 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.232 -0.587 . . . . 0.0 109.834 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 10.4 m -70.41 -43.05 78.5 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 C-N-CA 120.452 -0.499 . . . . 0.0 111.001 175.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.432 ' CB ' HG23 ' B' ' 75' ' ' VAL . . . -64.77 -38.92 92.62 Favored 'General case' 0 CA--C 1.511 -0.553 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.32 179.788 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.499 ' N ' ' O ' ' A' ' 76' ' ' VAL . . . -56.79 -48.13 78.61 Favored 'General case' 0 CA--C 1.509 -0.63 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 178.723 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.419 HD21 ' HA ' ' A' ' 54' ' ' VAL . 99.5 mt -63.75 -41.17 98.05 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 115.025 -0.989 . . . . 0.0 109.773 174.797 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.7 m -61.74 -51.05 69.93 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.546 -179.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 13.2 p -62.56 -44.34 99.27 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.424 0 C-N-CA 120.106 -0.637 . . . . 0.0 109.8 179.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.58 -51.61 68.79 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.256 177.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.626 ' SD ' ' HB3' ' A' ' 47' ' ' ALA . 9.2 ttt -71.13 -44.75 64.97 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.073 -0.651 . . . . 0.0 111.561 -179.804 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -65.94 -25.05 66.95 Favored 'General case' 0 CA--C 1.499 -1.006 0 C-N-CA 120.953 -0.299 . . . . 0.0 111.23 -177.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.417 HD22 ' CD ' ' A' ' 91' ' ' GLU . 9.7 t30 -55.95 -35.87 67.16 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 178.183 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.476 ' O ' ' N ' ' A' ' 92' ' ' ASN . 59.5 m-85 -60.1 -41.15 91.91 Favored 'General case' 0 C--O 1.214 -0.771 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.953 178.028 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -55.85 -46.8 78.1 Favored 'General case' 0 CA--C 1.512 -0.487 0 CA-C-O 120.989 0.423 . . . . 0.0 110.661 -176.013 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.509 ' CE2' ' CD2' ' B' ' 16' ' ' HIS . 37.4 m95 -72.81 -40.91 65.46 Favored 'General case' 0 C--N 1.303 -1.433 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.107 -177.109 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.417 ' CD ' HD22 ' A' ' 87' ' ' ASN . 89.7 mt-10 -70.15 -38.04 75.38 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.409 -0.517 . . . . 0.0 110.296 175.355 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.476 ' N ' ' O ' ' A' ' 88' ' ' PHE . 36.0 t30 -50.28 114.44 1.12 Allowed 'General case' 0 CA--C 1.51 -0.572 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.825 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 6.0 t . . . . . 0 C--O 1.209 -1.072 0 CA-C-O 118.341 -0.838 . . . . 0.0 111.203 -172.944 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . 0.537 ' H1 ' ' CD ' ' B' ' 5' ' ' GLU . . . . . . . . 0 C--O 1.244 0.734 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' SER . . . . . 0.418 ' O ' ' N ' ' B' ' 5' ' ' GLU . 18.8 m -68.22 151.53 46.83 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 177.409 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' B' ' 7' ' ' ALA . 2.0 mp0 -51.4 -24.72 5.16 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 177.003 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.463 ' O ' ' HG2' ' B' ' 8' ' ' MET . 8.5 mp -61.74 -42.24 98.71 Favored 'General case' 0 N--CA 1.442 -0.851 0 CA-C-N 115.21 -0.905 . . . . 0.0 109.658 177.602 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.537 ' CD ' ' H1 ' ' B' ' 1' ' ' GLY . 31.0 mt-10 -62.49 -42.94 99.84 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 178.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.423 ' O ' ' N ' ' B' ' 10' ' ' THR . 8.0 m -62.13 -44.57 96.34 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-N 115.272 -0.876 . . . . 0.0 109.103 173.156 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' B' ' 3' ' ' GLU . . . -57.34 -45.08 84.69 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.995 178.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' MET . . . . . 0.463 ' HG2' ' O ' ' B' ' 4' ' ' LEU . 95.9 mmm -63.45 -41.88 98.65 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.332 -0.547 . . . . 0.0 109.879 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -65.35 -37.14 86.15 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 120.325 -0.55 . . . . 0.0 110.463 173.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' THR . . . . . 0.423 ' N ' ' O ' ' B' ' 6' ' ' THR . 8.7 m -58.81 -43.19 90.5 Favored 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 176.327 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.437 ' CD2' HD11 ' A' ' 4' ' ' LEU . 99.4 mt -62.51 -42.6 99.62 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.969 175.011 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.432 HD11 ' CE2' ' B' ' 71' ' ' PHE . 18.4 mm -62.76 -46.09 97.22 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.003 -178.256 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 50.2 m-80 -63.75 -42.28 97.88 Favored 'General case' 0 C--N 1.312 -1.065 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.255 -176.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 77.8 t -64.19 -46.78 92.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 175.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.519 ' CE2' ' HB2' ' B' ' 28' ' ' LEU . 64.1 t80 -57.2 -47.53 81.05 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.36 -0.837 . . . . 0.0 108.781 176.293 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.509 ' CD2' ' CE2' ' A' ' 90' ' ' TRP . 2.2 t-80 -61.51 -44.06 97.74 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.336 -179.031 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.02 -43.33 60.86 Favored 'General case' 0 CA--C 1.508 -0.661 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 -178.164 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.486 ' HB3' ' CB ' ' B' ' 32' ' ' GLU . 97.5 m-70 -69.22 -39.2 78.7 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-N 115.021 -0.991 . . . . 0.0 111.001 175.232 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 75.5 m -56.58 -40.48 75.29 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 176.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.19 -48.2 81.83 Favored Glycine 0 N--CA 1.443 -0.863 0 N-CA-C 109.799 -1.32 . . . . 0.0 109.799 176.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 65.4 mmtt -66.35 -40.6 89.93 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.747 0.308 . . . . 0.0 111.309 178.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -63.57 -35.17 79.61 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.305 176.346 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 107.01 -13.13 41.12 Favored Glycine 0 C--O 1.237 0.338 0 C-N-CA 121.141 -0.552 . . . . 0.0 111.786 175.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -77.83 148.7 34.59 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.616 -0.434 . . . . 0.0 110.337 177.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 18.0 pttm -63.49 -30.87 71.93 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 120.476 -0.49 . . . . 0.0 110.356 176.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 2.1 p90 -164.17 93.35 0.69 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.651 170.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.449 ' HE2' ' HB2' ' B' ' 68' ' ' GLU . 1.1 mmtm -164.12 161.41 22.33 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 114.835 -1.075 . . . . 0.0 108.521 172.064 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.519 ' HB2' ' CE2' ' B' ' 15' ' ' PHE . 47.3 tp -124.64 121.27 34.24 Favored 'General case' 0 C--N 1.306 -1.289 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 174.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 11.3 p -85.89 170.71 12.11 Favored 'General case' 0 C--N 1.315 -0.928 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 176.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.605 ' CE ' ' HA ' ' B' ' 62' ' ' ASP . 3.8 mmmm -72.66 -6.36 43.82 Favored 'General case' 0 C--N 1.315 -0.9 0 C-N-CA 120.139 -0.624 . . . . 0.0 109.786 179.145 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 22.0 mttm -63.53 -65.91 0.62 Allowed 'General case' 0 CA--C 1.511 -0.553 0 CA-C-O 122.311 1.053 . . . . 0.0 108.286 177.298 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.486 ' CB ' ' HB3' ' B' ' 18' ' ' HIS . 70.8 mm-40 -72.86 -39.52 66.43 Favored 'General case' 0 N--CA 1.431 -1.423 0 CA-C-N 113.553 -1.658 . . . . 0.0 112.749 -175.524 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -59.15 -43.96 92.07 Favored 'General case' 0 CA--C 1.51 -0.582 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.203 -173.073 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.44 ' NZ ' ' HB3' ' B' ' 34' ' ' LYS . 9.3 mtpm? -63.02 -43.02 99.89 Favored 'General case' 0 C--N 1.315 -0.907 0 C-N-CA 120.255 -0.578 . . . . 0.0 110.299 179.353 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -66.09 -46.6 77.09 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 177.294 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.423 ' HB2' ' CE1' ' B' ' 18' ' ' HIS . 9.1 tp -62.03 -51.39 68.2 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-N 114.564 -1.198 . . . . 0.0 113.611 -178.053 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -63.53 -47.61 80.94 Favored 'General case' 0 C--N 1.316 -0.856 0 C-N-CA 119.786 -0.766 . . . . 0.0 111.527 -172.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -66.14 -41.54 90.29 Favored 'General case' 0 C--N 1.314 -0.957 0 C-N-CA 120.286 -0.566 . . . . 0.0 110.485 178.191 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 68.8 m -64.84 -55.73 17.75 Favored 'General case' 0 C--O 1.244 0.796 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -177.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -70.88 -40.44 72.25 Favored 'General case' 0 CA--C 1.51 -0.571 0 N-CA-C 112.629 0.603 . . . . 0.0 112.629 -176.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 9.2 mp -98.23 21.9 10.3 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.62 -179.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -48.73 -36.24 15.9 Favored 'General case' 0 N--CA 1.443 -0.782 0 C-N-CA 120.604 -0.438 . . . . 0.0 110.375 -179.273 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -64.76 -51.09 54.8 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 110.894 -0.883 . . . . 0.0 110.894 175.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.414 ' CD1' ' HG2' ' A' ' 5' ' ' GLU . 41.2 m-85 -63.81 -43.12 97.23 Favored 'General case' 0 CA--C 1.509 -0.628 0 CA-C-O 121.225 0.536 . . . . 0.0 110.386 176.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.3 tp -59.14 -47.95 83.4 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.476 179.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -65.05 -41.09 95.47 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-O 121.076 0.465 . . . . 0.0 110.662 173.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . 0.427 ' HB2' ' SD ' ' B' ' 85' ' ' MET . . . -59.7 -47.83 84.09 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.922 -176.506 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.53 ' NE2' ' SD ' ' B' ' 85' ' ' MET . 0.0 OUTLIER -109.69 23.04 14.95 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -179.181 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.58 -29.74 68.16 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 177.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 30.4 p-10 -78.44 -5.9 53.77 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.232 -177.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . 0.439 ' O ' HG12 ' B' ' 54' ' ' VAL . 57.5 t -85.02 127.95 39.43 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.655 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 177.663 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -59.35 -39.17 82.33 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-O 121.358 0.599 . . . . 0.0 110.002 -179.046 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.67 -24.59 61.56 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-N 115.375 -0.83 . . . . 0.0 112.185 -178.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.439 HG12 ' O ' ' B' ' 51' ' ' VAL . 9.4 p -57.77 -45.41 87.05 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 C-N-CA 120.067 -0.653 . . . . 0.0 110.963 -174.485 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -60.98 -48.03 83.71 Favored 'General case' 0 CA--C 1.51 -0.559 0 CA-C-O 121.73 0.776 . . . . 0.0 109.487 177.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 59.6 mttm -64.37 -39.12 93.25 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 114.194 -1.367 . . . . 0.0 111.806 -178.26 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 71.4 t -60.04 -46.76 93.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 176.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 7.2 mmm -62.31 -43.38 98.96 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.675 0.75 . . . . 0.0 109.105 176.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -63.58 -47.29 82.09 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-N 114.482 -1.236 . . . . 0.0 111.292 -176.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 78.8 tt0 -58.92 -42.76 90.46 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 -177.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.5 ' O ' ' N ' ' B' ' 65' ' ' GLY . 2.8 mm? -63.41 -41.01 98.72 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.777 174.444 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.605 ' HA ' ' CE ' ' B' ' 30' ' ' LYS . 44.1 t0 -60.14 -46.66 88.89 Favored 'General case' 0 N--CA 1.443 -0.81 0 C-N-CA 119.546 -0.862 . . . . 0.0 110.137 177.064 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.72 -45.92 90.5 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.595 178.567 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.481 ' C ' ' H ' ' B' ' 66' ' ' ASP . 0.2 OUTLIER -63.81 -41.98 97.77 Favored 'General case' 0 CA--C 1.498 -1.047 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 178.454 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' B' ' 61' ' ' LEU . . . -69.48 50.64 0.62 Allowed Glycine 0 N--CA 1.444 -0.776 0 N-CA-C 109.684 -1.367 . . . . 0.0 109.684 178.206 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.481 ' H ' ' C ' ' B' ' 64' ' ' ASN . 33.6 t70 -61.69 -37.57 84.63 Favored 'General case' 0 CA--C 1.498 -1.052 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 178.414 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -113.52 -73.67 0.62 Allowed Glycine 0 C--N 1.316 -0.551 0 N-CA-C 109.644 -1.383 . . . . 0.0 109.644 175.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.449 ' HB2' ' HE2' ' B' ' 27' ' ' LYS . 0.9 OUTLIER -127.65 178.14 6.32 Favored 'General case' 0 C--N 1.314 -0.946 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 178.676 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.407 ' O ' ' HB3' ' B' ' 28' ' ' LEU . 1.8 p -127.76 133.2 68.0 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.189 0 N-CA-C 107.784 -1.191 . . . . 0.0 107.784 169.795 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -98.07 -178.8 4.18 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 120.344 -0.542 . . . . 0.0 111.815 -174.049 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.432 ' CE2' HD11 ' B' ' 12' ' ' ILE . 65.8 t80 -61.4 -44.63 96.81 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.526 -179.222 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -59.7 -42.7 93.57 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.825 178.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.426 ' HA ' HG11 ' B' ' 76' ' ' VAL . 91.0 mt-10 -67.39 -38.75 85.17 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.475 176.469 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -60.72 -48.23 82.72 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.28 178.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . 0.492 HG21 ' N ' ' B' ' 76' ' ' VAL . 17.6 m -64.48 -42.69 95.98 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 C-N-CA 120.067 -0.653 . . . . 0.0 111.899 179.83 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . 0.492 ' N ' HG21 ' B' ' 75' ' ' VAL . 12.0 p -65.47 -39.65 85.82 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 C-N-CA 120.429 -0.508 . . . . 0.0 110.968 -178.133 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . 0.482 ' CD1' ' HG ' ' B' ' 61' ' ' LEU . 57.4 tp -61.09 -48.27 82.45 Favored 'General case' 0 CA--C 1.515 -0.388 0 C-N-CA 120.412 -0.515 . . . . 0.0 110.063 -179.615 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 15.6 m -69.07 -41.55 81.62 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 C-N-CA 120.336 -0.546 . . . . 0.0 110.736 176.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . 0.402 ' CB ' HG23 ' A' ' 75' ' ' VAL . . . -63.16 -40.09 96.53 Favored 'General case' 0 CA--C 1.507 -0.699 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.06 178.737 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' B' ' 76' ' ' VAL . . . -56.28 -48.74 76.02 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 -179.532 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 98.8 mt -65.57 -41.58 92.77 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.046 174.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 18.5 m -60.44 -46.14 91.12 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.579 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . 0.49 HG12 ' N ' ' B' ' 84' ' ' ALA . 2.7 p -62.68 -41.76 93.5 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.74 0 C-N-CA 120.402 -0.519 . . . . 0.0 109.831 178.063 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . 0.49 ' N ' HG12 ' B' ' 83' ' ' VAL . . . -60.05 -47.86 84.1 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 174.208 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 85' ' ' MET . . . . . 0.53 ' SD ' ' NE2' ' B' ' 48' ' ' GLN . 12.6 tpt -59.26 -43.79 92.44 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.7 177.168 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . 0.615 ' OD1' ' NE2' ' A' ' 16' ' ' HIS . 32.5 t30 -62.34 -43.14 99.52 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.603 178.74 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 32.6 t30 -62.67 -44.42 96.29 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 120.39 -0.524 . . . . 0.0 110.389 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.43 ' O ' ' N ' ' B' ' 92' ' ' ASN . 17.6 m-85 -64.69 -32.68 74.46 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.403 175.286 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -53.69 -48.93 69.06 Favored 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 -177.037 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . 0.45 ' CD1' ' O ' ' B' ' 86' ' ' ASN . 42.3 m95 -78.27 -44.11 26.34 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.6 178.795 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 -68.52 -36.71 79.23 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 120.215 -0.594 . . . . 0.0 112.366 -178.111 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . 0.43 ' N ' ' O ' ' B' ' 88' ' ' PHE . 41.3 t30 -47.33 115.68 1.18 Allowed 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 -178.109 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 1.9 t . . . . . 0 C--O 1.205 -1.246 0 CA-C-O 117.978 -1.011 . . . . 0.0 110.417 -176.119 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.581 0 N-CA-C 110.774 -0.931 . . . . 0.0 110.774 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.434 ' C ' ' N ' ' A' ' 4' ' ' LEU . 0.7 OUTLIER -75.37 -172.21 1.69 Allowed 'General case' 0 C--N 1.319 -0.739 0 C-N-CA 122.64 0.376 . . . . 0.0 111.6 -176.777 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.409 ' O ' ' N ' ' A' ' 7' ' ' ALA . 1.9 mp0 -41.78 -24.31 0.04 OUTLIER 'General case' 0 CA--C 1.509 -0.613 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.984 178.474 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.478 ' N ' ' CD2' ' A' ' 4' ' ' LEU . 2.3 mm? -61.02 -42.41 98.42 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.819 -174.356 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.428 ' O ' ' HG3' ' A' ' 9' ' ' GLU . 93.2 mt-10 -65.92 -44.03 86.36 Favored 'General case' 0 N--CA 1.443 -0.787 0 C-N-CA 119.729 -0.788 . . . . 0.0 109.706 176.235 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 14.3 m -61.08 -45.55 94.28 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.813 176.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 3' ' ' GLU . . . -55.39 -47.75 75.4 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 178.67 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.597 ' SD ' HD12 ' B' ' 11' ' ' LEU . 94.9 mmm -64.7 -40.75 95.9 Favored 'General case' 0 C--O 1.239 0.55 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.672 177.561 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.428 ' HG3' ' O ' ' A' ' 5' ' ' GLU . 88.7 mt-10 -62.39 -37.54 86.13 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 177.685 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.3 m -59.59 -44.92 93.2 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 178.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.557 HD13 ' SD ' ' B' ' 8' ' ' MET . 85.5 mt -62.86 -40.77 98.49 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.241 175.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 22.1 mm -61.93 -45.53 98.5 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.54 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.053 -179.358 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -61.38 -44.74 96.64 Favored 'General case' 0 C--N 1.316 -0.863 0 C-N-CA 120.749 -0.38 . . . . 0.0 110.521 -177.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 74.2 t -63.99 -48.07 87.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 C-N-CA 120.56 -0.456 . . . . 0.0 110.048 177.443 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.47 ' CE2' ' HB2' ' A' ' 28' ' ' LEU . 56.8 t80 -61.09 -48.52 81.31 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.42 0.628 . . . . 0.0 109.892 177.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -60.57 -45.33 94.35 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.968 -1.015 . . . . 0.0 111.219 -175.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.14 -46.72 79.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.308 -0.405 . . . . 0.0 109.975 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 -67.22 -37.75 84.1 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.994 176.566 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.457 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 25.1 m -56.31 -41.12 75.47 Favored 'General case' 0 CA--C 1.511 -0.52 0 C-N-CA 120.156 -0.618 . . . . 0.0 109.471 177.01 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.51 -36.11 83.26 Favored Glycine 0 N--CA 1.445 -0.737 0 N-CA-C 110.481 -1.048 . . . . 0.0 110.481 178.141 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.5 mmtp -65.08 -47.22 78.03 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -175.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -152.88 -35.45 0.11 Allowed 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 112.616 0.599 . . . . 0.0 112.616 -178.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.5 91.6 0.17 Allowed Glycine 0 CA--C 1.526 0.722 0 C-N-CA 121.585 -0.341 . . . . 0.0 112.75 -172.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.577 ' CG ' ' H ' ' A' ' 25' ' ' LYS . 14.6 t70 37.87 -148.06 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 122.925 0.49 . . . . 0.0 110.288 174.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.577 ' H ' ' CG ' ' A' ' 24' ' ' ASP . 16.1 pttm -93.0 -34.32 13.78 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 169.831 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.506 ' HB3' ' CE2' ' B' ' 90' ' ' TRP . 0.0 OUTLIER -131.79 92.37 3.13 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.284 165.143 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.539 ' HZ1' ' CB ' ' A' ' 70' ' ' ASP . 30.9 mmtt -164.17 166.19 21.39 Favored 'General case' 0 CA--C 1.497 -1.092 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.339 175.625 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.47 ' HB2' ' CE2' ' A' ' 15' ' ' PHE . 45.8 tp -125.88 130.18 50.82 Favored 'General case' 0 C--N 1.296 -1.725 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 171.625 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -81.83 156.29 24.95 Favored 'General case' 0 C--N 1.316 -0.875 0 C-N-CA 119.686 -0.805 . . . . 0.0 109.55 -177.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -69.93 -4.42 20.48 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 177.437 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 30.9 mttt -79.58 -59.36 2.78 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 178.516 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -66.77 -39.01 87.68 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-N 113.69 -1.595 . . . . 0.0 110.215 -179.528 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.404 HD21 ' CD2' ' A' ' 28' ' ' LEU . 2.8 tm? -59.18 -43.53 92.17 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.204 -171.703 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 50.2 mttp -62.36 -45.52 92.82 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 119.838 -0.745 . . . . 0.0 109.732 -178.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -72.45 -49.42 33.51 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.075 -177.166 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.49 ' HG ' ' N ' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -63.55 -44.36 94.38 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.817 -0.628 . . . . 0.0 111.484 -179.639 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.49 ' N ' ' HG ' ' A' ' 36' ' ' LEU . 3.0 tm? -61.98 -46.29 89.89 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 119.962 -0.695 . . . . 0.0 110.837 -177.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 27.4 pt20 -65.67 -40.45 92.41 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 119.611 -0.835 . . . . 0.0 110.393 176.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 97.8 m -62.95 -51.01 68.56 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.039 179.093 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.548 ' CD ' ' HG ' ' B' ' 2' ' ' SER . 65.4 mm-40 -72.73 -39.43 66.91 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 120.392 -0.523 . . . . 0.0 112.142 -174.692 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 11.1 mp -105.57 31.91 4.66 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 111.886 0.328 . . . . 0.0 111.886 -176.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 50.6 m -52.57 -40.99 63.18 Favored 'General case' 0 C--N 1.319 -0.76 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.906 -178.271 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -63.17 -46.92 92.1 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.441 -0.664 . . . . 0.0 111.441 179.089 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -70.15 -43.23 71.31 Favored 'General case' 0 CA--C 1.5 -0.968 0 CA-C-O 121.391 0.615 . . . . 0.0 109.918 176.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 49' ' ' LYS . 49.0 tp -61.15 -47.01 88.2 Favored 'General case' 0 N--CA 1.435 -1.186 0 CA-C-N 115.125 -0.943 . . . . 0.0 111.182 -179.491 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -64.11 -39.16 93.45 Favored 'General case' 0 C--N 1.318 -0.765 0 C-N-CA 120.266 -0.574 . . . . 0.0 110.337 178.207 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.86 -35.04 75.58 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.654 -179.134 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.408 HE21 ' C ' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -131.3 41.63 3.3 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.985 -0.286 . . . . 0.0 111.598 179.149 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -65.5 -38.93 91.16 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.854 0.359 . . . . 0.0 110.593 179.772 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -98.02 5.34 48.86 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-N 115.832 -0.622 . . . . 0.0 112.419 -176.056 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.426 ' O ' HG11 ' A' ' 54' ' ' VAL . 16.3 t -83.4 120.59 34.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 176.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.478 ' CG ' ' HZ3' ' A' ' 56' ' ' LYS . 23.6 t70 -48.54 -33.69 10.06 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-O 121.109 0.481 . . . . 0.0 111.18 -176.277 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -49.64 -33.21 14.83 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.627 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.499 ' O ' ' HG2' ' A' ' 58' ' ' MET . 10.0 p -60.88 -46.59 96.08 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 C-N-CA 120.601 -0.44 . . . . 0.0 110.583 -178.476 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -62.27 -40.55 96.59 Favored 'General case' 0 CA--C 1.5 -0.958 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 177.004 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.478 ' HZ3' ' CG ' ' A' ' 52' ' ' ASP . 41.5 mmtm -64.98 -41.23 95.62 Favored 'General case' 0 N--CA 1.439 -1.006 0 CA-C-N 115.226 -0.897 . . . . 0.0 109.826 -178.641 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.459 HG12 HD13 ' A' ' 77' ' ' LEU . 54.3 t -60.69 -44.48 97.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 173.795 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.499 ' HG2' ' O ' ' A' ' 54' ' ' VAL . 59.0 mmm -60.21 -41.69 93.54 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.636 0.731 . . . . 0.0 109.661 176.664 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.4 tptp -63.73 -47.06 82.61 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 114.671 -1.15 . . . . 0.0 111.265 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -57.53 -45.24 85.29 Favored 'General case' 0 C--O 1.244 0.785 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 179.314 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.495 ' HG ' ' CD1' ' A' ' 77' ' ' LEU . 3.3 mm? -66.43 -41.08 89.7 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.799 174.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -60.84 -37.08 80.82 Favored 'General case' 0 CA--C 1.508 -0.671 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.718 -174.041 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.98 -47.77 81.71 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -64.89 -45.95 83.82 Favored 'General case' 0 CA--C 1.505 -0.781 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.792 172.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -75.67 53.6 2.86 Favored Glycine 0 CA--C 1.493 -1.327 0 N-CA-C 110.304 -1.119 . . . . 0.0 110.304 -178.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -60.5 -39.23 86.98 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 108.466 -0.938 . . . . 0.0 108.466 177.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -126.72 -68.95 0.17 Allowed Glycine 0 C--N 1.318 -0.447 0 N-CA-C 110.202 -1.159 . . . . 0.0 110.202 175.077 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -110.03 162.06 14.91 Favored 'General case' 0 C--N 1.313 -0.995 0 C-N-CA 122.824 0.45 . . . . 0.0 110.004 177.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.433 HG13 ' HB3' ' A' ' 28' ' ' LEU . 2.1 p -120.53 130.64 74.25 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.361 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 175.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.613 ' CG ' ' N ' ' A' ' 71' ' ' PHE . 0.1 OUTLIER -92.59 175.11 6.94 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.186 0.517 . . . . 0.0 112.259 -173.55 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.613 ' N ' ' CG ' ' A' ' 70' ' ' ASP . 59.9 t80 -60.27 -45.3 93.8 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.955 -178.175 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.47 ' O ' HG21 ' A' ' 75' ' ' VAL . 26.3 mt-30 -60.52 -38.64 85.03 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 179.05 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -70.21 -44.89 67.71 Favored 'General case' 0 C--N 1.31 -1.136 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.248 176.032 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 45.1 t80 -60.82 -48.15 83.13 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.887 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.478 ' CG2' ' CB ' ' B' ' 79' ' ' ALA . 17.4 m -61.12 -43.48 96.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 C-N-CA 120.253 -0.579 . . . . 0.0 111.558 -178.112 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.517 ' O ' ' N ' ' A' ' 80' ' ' ALA . 12.7 p -66.57 -34.5 70.49 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.746 0 C-N-CA 120.035 -0.666 . . . . 0.0 110.049 178.19 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.495 ' CD1' ' HG ' ' A' ' 61' ' ' LEU . 48.9 tp -61.37 -48.7 80.06 Favored 'General case' 0 CA--C 1.512 -0.498 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.442 178.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 18.6 m -68.59 -42.58 83.53 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.831 0 C-N-CA 119.874 -0.73 . . . . 0.0 110.316 176.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.71 -40.99 97.0 Favored 'General case' 0 CA--C 1.506 -0.727 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.552 177.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.517 ' N ' ' O ' ' A' ' 76' ' ' VAL . . . -57.58 -50.69 72.29 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.584 -178.665 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 93.5 mt -63.19 -40.72 98.32 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.587 174.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.446 HG21 ' ND2' ' A' ' 86' ' ' ASN . 21.1 m -59.42 -50.52 73.63 Favored 'General case' 0 N--CA 1.445 -0.704 0 C-N-CA 120.311 -0.555 . . . . 0.0 110.114 179.337 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.434 ' O ' ' N ' ' A' ' 87' ' ' ASN . 14.0 p -65.44 -43.11 94.65 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 C-N-CA 119.786 -0.766 . . . . 0.0 110.338 176.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.41 -52.53 64.99 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.471 179.049 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.405 ' O ' ' HB3' ' A' ' 88' ' ' PHE . 0.0 OUTLIER -68.71 -43.64 75.56 Favored 'General case' 0 CA--C 1.516 -0.337 0 C-N-CA 120.485 -0.486 . . . . 0.0 110.511 177.264 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.587 ' O ' ' CD1' ' A' ' 90' ' ' TRP . 80.8 m-20 -61.89 -34.4 75.97 Favored 'General case' 0 CA--C 1.489 -1.375 0 C-N-CA 120.306 -0.558 . . . . 0.0 111.35 -179.179 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.546 ' HA ' ' CD1' ' A' ' 90' ' ' TRP . 0.3 OUTLIER -45.22 -38.3 5.3 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 177.906 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.405 ' HB3' ' O ' ' A' ' 85' ' ' MET . 90.2 t80 -61.67 -45.39 94.22 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.731 173.83 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.577 ' N ' ' O ' ' A' ' 86' ' ' ASN . 10.8 m-85 -61.24 -46.54 89.97 Favored 'General case' 0 C--O 1.219 -0.537 0 N-CA-C 113.656 0.984 . . . . 0.0 113.656 -178.3 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.587 ' CD1' ' O ' ' A' ' 86' ' ' ASN . 2.6 m95 -58.67 -47.08 85.69 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 118.638 -1.225 . . . . 0.0 107.96 -176.716 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 90.8 mt-10 -70.4 -46.41 64.03 Favored 'General case' 0 N--CA 1.441 -0.917 0 CA-C-N 114.551 -1.204 . . . . 0.0 110.512 -178.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -96.73 100.09 11.65 Favored 'General case' 0 CA--C 1.508 -0.66 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 175.033 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.8 m . . . . . 0 C--O 1.206 -1.191 0 CA-C-O 118.276 -0.869 . . . . 0.0 109.626 -178.326 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . 0.462 ' H1 ' ' CD ' ' B' ' 5' ' ' GLU . . . . . . . . 0 C--O 1.238 0.349 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' SER . . . . . 0.548 ' HG ' ' CD ' ' A' ' 40' ' ' GLU . 70.6 m -72.61 176.52 5.41 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-O 120.924 0.392 . . . . 0.0 111.018 178.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.436 ' H ' ' CD ' ' B' ' 3' ' ' GLU . 50.0 mp0 -55.15 -17.83 4.8 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 175.648 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.409 ' O ' ' HG2' ' B' ' 8' ' ' MET . 47.2 mt -60.93 -39.91 91.2 Favored 'General case' 0 N--CA 1.438 -1.06 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.195 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.462 ' CD ' ' H1 ' ' B' ' 1' ' ' GLY . 95.8 mt-10 -61.33 -41.78 97.6 Favored 'General case' 0 N--CA 1.445 -0.696 0 C-N-CA 119.289 -0.964 . . . . 0.0 108.852 175.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 7.6 m -61.99 -45.92 91.5 Favored 'General case' 0 C--O 1.239 0.504 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 174.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.61 -47.6 83.82 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.87 177.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' MET . . . . . 0.557 ' SD ' HD13 ' A' ' 11' ' ' LEU . 97.0 mmm -64.27 -41.55 96.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.553 176.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . 0.429 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 4.4 mm-40 -60.51 -37.28 80.63 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 174.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 10.6 m -60.45 -44.25 96.04 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 176.384 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.597 HD12 ' SD ' ' A' ' 8' ' ' MET . 81.2 mt -62.34 -42.38 99.34 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.755 174.854 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.576 HG13 ' ND2' ' A' ' 86' ' ' ASN . 11.9 mm -62.98 -44.51 99.7 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.611 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 179.693 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . 0.429 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 44.4 m-80 -60.63 -45.46 93.97 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.43 -177.63 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 38.2 t -64.04 -49.02 83.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.832 176.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.557 ' CE1' ' HB2' ' B' ' 28' ' ' LEU . 65.2 t80 -60.24 -47.48 85.81 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-O 121.611 0.72 . . . . 0.0 109.323 177.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.519 ' N ' ' O ' ' B' ' 12' ' ' ILE . 0.7 OUTLIER -58.68 -43.95 90.11 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 114.744 -1.116 . . . . 0.0 110.561 -178.771 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . 0.458 ' O ' ' HG2' ' B' ' 21' ' ' LYS . . . -54.57 -50.18 68.58 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.703 -179.209 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.491 ' ND1' ' HB3' ' B' ' 32' ' ' GLU . 96.5 m-70 -66.54 -39.09 88.41 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.08 178.572 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 19.9 m -58.39 -41.6 85.2 Favored 'General case' 0 CA--C 1.513 -0.445 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 174.071 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.4 -34.31 87.82 Favored Glycine 0 N--CA 1.446 -0.672 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 177.037 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . 0.458 ' HG2' ' O ' ' B' ' 17' ' ' ALA . 25.5 mmtp -65.26 -49.54 69.2 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 120.142 -0.623 . . . . 0.0 110.456 -178.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' B' ' 24' ' ' ASP . 76.7 mt-10 -156.2 -29.19 0.1 Allowed 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.84 -179.173 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . 0.442 ' HA3' ' O ' ' B' ' 27' ' ' LYS . . . -60.81 70.2 0.01 OUTLIER Glycine 0 CA--C 1.527 0.843 0 CA-C-N 116.338 -0.392 . . . . 0.0 112.727 -171.446 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . 0.607 ' CG ' ' H ' ' B' ' 25' ' ' LYS . 23.3 t70 36.28 -154.7 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.927 0.891 . . . . 0.0 111.785 178.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.607 ' H ' ' CG ' ' B' ' 24' ' ' ASP . 0.0 OUTLIER -64.25 -47.02 81.2 Favored 'General case' 0 CA--C 1.493 -1.214 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 -178.788 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -151.77 93.09 1.81 Allowed 'General case' 0 N--CA 1.43 -1.462 0 CA-C-N 114.979 -1.009 . . . . 0.0 110.526 172.733 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.442 ' O ' ' HA3' ' B' ' 23' ' ' GLY . 22.9 mmmt -158.36 169.61 24.08 Favored 'General case' 0 C--N 1.317 -0.848 0 C-N-CA 124.558 1.143 . . . . 0.0 108.169 174.261 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.557 ' HB2' ' CE1' ' B' ' 15' ' ' PHE . 45.9 tp -124.97 123.44 39.89 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 110.466 -0.198 . . . . 0.0 110.466 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 12.8 p -79.61 160.17 26.49 Favored 'General case' 0 C--O 1.241 0.651 0 CA-C-O 120.718 0.294 . . . . 0.0 111.43 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.455 ' HE3' ' O ' ' B' ' 61' ' ' LEU . 0.2 OUTLIER -74.13 -8.61 56.77 Favored 'General case' 0 CA--C 1.511 -0.553 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 176.717 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -65.5 -42.63 91.93 Favored 'General case' 0 CA--C 1.496 -1.099 0 N-CA-C 106.85 -1.537 . . . . 0.0 106.85 177.104 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.491 ' HB3' ' ND1' ' B' ' 18' ' ' HIS . 61.1 mm-40 -100.39 -41.91 6.83 Favored 'General case' 0 N--CA 1.423 -1.814 0 CA-C-N 112.226 -2.261 . . . . 0.0 110.146 -171.235 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.401 HD23 ' CD2' ' B' ' 28' ' ' LEU . 2.6 tm? -57.66 -45.78 85.1 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.176 -172.334 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -63.76 -43.88 95.12 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 120.15 -0.62 . . . . 0.0 110.448 178.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -69.21 -49.35 57.26 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.489 -179.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.47 ' HB3' ' O ' ' B' ' 32' ' ' GLU . 0.1 OUTLIER -62.56 -46.49 88.12 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.823 -0.626 . . . . 0.0 112.447 -179.394 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.441 ' N ' ' HG ' ' B' ' 36' ' ' LEU . 3.0 tm? -61.92 -47.55 84.44 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 119.766 -0.773 . . . . 0.0 111.291 -174.42 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -65.91 -41.34 91.57 Favored 'General case' 0 C--N 1.318 -0.784 0 C-N-CA 120.189 -0.605 . . . . 0.0 110.236 177.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 96.6 m -63.32 -50.92 68.12 Favored 'General case' 0 N--CA 1.441 -0.896 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.576 -179.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -73.11 -41.05 64.45 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -177.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 9.8 mp -105.39 33.98 3.45 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.32 -176.117 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 18.3 m -51.94 -40.89 61.53 Favored 'General case' 0 C--N 1.314 -0.951 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.719 -177.442 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -66.66 -48.32 62.88 Favored Glycine 0 C--N 1.32 -0.313 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 178.219 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.6 ' CD1' ' SD ' ' B' ' 85' ' ' MET . 41.8 m-85 -65.57 -41.48 92.87 Favored 'General case' 0 CA--C 1.508 -0.667 0 CA-C-O 121.02 0.438 . . . . 0.0 110.525 177.449 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.49 ' O ' ' HB2' ' B' ' 49' ' ' LYS . 8.0 tp -60.37 -50.67 72.68 Favored 'General case' 0 C--N 1.309 -1.165 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.719 176.185 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -66.79 -42.32 86.19 Favored 'General case' 0 C--N 1.313 -1.018 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 176.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . 0.508 ' CB ' ' SD ' ' B' ' 85' ' ' MET . . . -56.39 -47.97 77.85 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.51 -176.371 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -116.5 28.47 8.55 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 179.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.49 ' HB2' ' O ' ' B' ' 45' ' ' LEU . 58.2 tttm -60.06 -45.87 91.45 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.291 0.567 . . . . 0.0 109.725 179.42 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -68.02 -18.19 64.63 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.652 -178.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . 0.476 ' C ' ' H ' ' B' ' 53' ' ' ALA . 47.8 t -65.74 -0.6 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.927 0 CA-C-N 116.284 -0.417 . . . . 0.0 112.108 -174.276 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.9 t70 63.24 -46.01 0.22 Allowed 'General case' 0 N--CA 1.475 0.788 0 CA-C-O 120.764 0.316 . . . . 0.0 111.202 179.12 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . 0.476 ' H ' ' C ' ' B' ' 51' ' ' VAL . . . -51.64 -26.1 8.34 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.977 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.441 ' HA ' ' CD2' ' B' ' 81' ' ' LEU . 8.8 p -58.04 -44.63 87.5 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.711 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 177.536 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.46 ' O ' ' N ' ' B' ' 59' ' ' LYS . 35.0 t70 -62.91 -44.81 95.09 Favored 'General case' 0 CA--C 1.496 -1.113 0 CA-C-O 121.483 0.658 . . . . 0.0 109.593 173.532 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 12.9 mmtp -63.2 -44.24 95.93 Favored 'General case' 0 C--N 1.308 -1.225 0 CA-C-N 114.857 -1.065 . . . . 0.0 109.973 -172.162 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 85.2 t -64.73 -46.44 92.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-O 121.378 0.609 . . . . 0.0 109.362 176.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' MET . . . . . 0.491 ' HG3' ' N ' ' B' ' 59' ' ' LYS . 0.0 OUTLIER -63.11 -34.64 78.04 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.397 178.902 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . 0.491 ' N ' ' HG3' ' B' ' 58' ' ' MET . 0.2 OUTLIER -58.78 -43.64 90.49 Favored 'General case' 0 CA--C 1.5 -0.977 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.931 -176.038 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -60.26 -44.46 95.27 Favored 'General case' 0 C--N 1.31 -1.114 0 C-N-CA 120.182 -0.607 . . . . 0.0 109.518 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.455 ' O ' ' HE3' ' B' ' 30' ' ' LYS . 3.4 mm? -62.95 -42.81 99.93 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.158 174.568 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.446 ' O ' ' NZ ' ' B' ' 30' ' ' LYS . 13.8 t70 -59.92 -47.19 86.79 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 115.657 -0.702 . . . . 0.0 109.709 -179.401 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -66.6 -51.34 57.46 Favored 'General case' 0 CA--C 1.512 -0.487 0 CA-C-O 121.136 0.493 . . . . 0.0 110.618 178.09 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.453 ' O ' ' N ' ' B' ' 66' ' ' ASP . 35.9 m-80 -63.66 -41.87 98.16 Favored 'General case' 0 CA--C 1.5 -0.948 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.265 -176.306 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.454 ' HA3' ' CE ' ' B' ' 30' ' ' LYS . . . -68.37 54.61 0.45 Allowed Glycine 0 N--CA 1.444 -0.786 0 N-CA-C 110.701 -0.96 . . . . 0.0 110.701 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' B' ' 64' ' ' ASN . 34.4 t70 -60.93 -37.47 82.41 Favored 'General case' 0 CA--C 1.505 -0.77 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 177.38 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -116.16 -68.12 0.41 Allowed Glycine 0 C--N 1.312 -0.76 0 N-CA-C 109.053 -1.619 . . . . 0.0 109.053 172.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.42 ' CB ' ' HB3' ' B' ' 27' ' ' LYS . 13.1 mp0 -138.27 165.72 25.99 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.085 0.469 . . . . 0.0 110.882 176.079 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.452 ' O ' ' N ' ' B' ' 28' ' ' LEU . 1.3 m -111.57 139.14 37.22 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.082 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 173.215 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.429 ' HB3' ' NZ ' ' B' ' 27' ' ' LYS . 0.0 OUTLIER -91.81 177.23 6.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 121.946 -0.471 . . . . 0.0 110.965 -173.213 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -60.76 -45.05 95.83 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 -178.414 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -60.88 -38.75 86.73 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.424 175.346 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.426 ' OE1' ' N ' ' B' ' 70' ' ' ASP . 48.0 mt-10 -66.6 -45.06 80.43 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 175.032 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -62.63 -48.51 79.06 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 115.644 -0.707 . . . . 0.0 112.852 -179.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 18.0 m -63.02 -42.31 96.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 C-N-CA 120.208 -0.597 . . . . 0.0 112.489 -175.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 11.0 p -63.77 -37.48 79.81 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 C-N-CA 120.124 -0.631 . . . . 0.0 110.228 178.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . 0.409 ' HB2' ' HG ' ' B' ' 61' ' ' LEU . 47.2 tp -60.73 -49.21 78.42 Favored 'General case' 0 CA--C 1.511 -0.543 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.887 179.57 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 17.2 m -67.58 -43.2 87.17 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 C-N-CA 119.485 -0.886 . . . . 0.0 110.504 177.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . 0.478 ' CB ' ' CG2' ' A' ' 75' ' ' VAL . . . -63.61 -43.85 95.66 Favored 'General case' 0 CA--C 1.509 -0.612 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.902 -179.606 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . 0.426 ' O ' HG11 ' B' ' 83' ' ' VAL . . . -61.98 -42.49 99.19 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 120.267 -0.573 . . . . 0.0 109.71 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.441 ' CD2' ' HA ' ' B' ' 54' ' ' VAL . 96.0 mt -63.73 -40.96 98.02 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 174.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.456 ' HA ' ' CD1' ' B' ' 44' ' ' PHE . 21.1 m -61.32 -49.14 78.2 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.605 176.501 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . 0.426 HG11 ' O ' ' B' ' 80' ' ' ALA . 0.3 OUTLIER -63.29 -40.52 89.37 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 179.768 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.73 -51.73 66.33 Favored 'General case' 0 CA--C 1.519 -0.249 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 177.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 85' ' ' MET . . . . . 0.6 ' SD ' ' CD1' ' B' ' 44' ' ' PHE . 26.9 ttt -66.31 -42.28 88.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.256 0.551 . . . . 0.0 110.322 175.725 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . 0.525 ' O ' ' N ' ' B' ' 89' ' ' PHE . 17.1 t30 -59.41 -26.33 65.06 Favored 'General case' 0 CA--C 1.501 -0.938 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.847 -174.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 35.8 t-20 -47.71 -38.59 15.55 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 177.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.425 ' O ' ' ND2' ' B' ' 92' ' ' ASN . 65.7 t80 -59.45 -46.36 88.99 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.872 172.805 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . 0.525 ' N ' ' O ' ' B' ' 86' ' ' ASN . 10.2 m-85 -60.02 -48.75 80.42 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 -172.682 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . 0.506 ' CE2' ' HB3' ' A' ' 26' ' ' TYR . 2.3 m95 -59.6 -44.37 93.4 Favored 'General case' 0 CA--C 1.507 -0.679 0 C-N-CA 119.064 -1.054 . . . . 0.0 109.559 -171.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -82.15 -44.84 15.94 Favored 'General case' 0 C--N 1.308 -1.201 0 CA-C-N 114.748 -1.114 . . . . 0.0 111.136 -176.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . 0.425 ' ND2' ' O ' ' B' ' 88' ' ' PHE . 51.6 m-80 -72.1 106.99 4.55 Favored 'General case' 0 CA--C 1.504 -0.798 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 177.747 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 6.4 m . . . . . 0 C--O 1.203 -1.372 0 CA-C-N 115.382 -0.826 . . . . 0.0 109.81 -174.499 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.645 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 m -72.78 161.13 31.12 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.553 0.216 . . . . 0.0 110.724 -178.251 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 7' ' ' ALA . 55.9 mp0 -60.65 -41.14 94.38 Favored 'General case' 0 CA--C 1.496 -1.097 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 175.777 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.485 ' N ' ' CD2' ' A' ' 4' ' ' LEU . 2.7 mm? -61.75 -42.86 99.53 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-N 114.951 -1.022 . . . . 0.0 108.556 -179.087 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -65.52 -44.31 87.33 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-N 115.072 -0.967 . . . . 0.0 109.242 175.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.481 ' O ' ' N ' ' A' ' 10' ' ' THR . 10.8 m -60.98 -45.83 93.21 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.471 177.158 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 3' ' ' GLU . . . -56.74 -48.86 76.85 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.504 179.08 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.51 ' SD ' HD12 ' B' ' 11' ' ' LEU . 93.2 mmm -64.51 -41.45 96.41 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 -179.62 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 55.8 mm-40 -62.93 -36.67 84.17 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.802 174.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.481 ' N ' ' O ' ' A' ' 6' ' ' THR . 7.4 m -59.97 -45.02 94.04 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 176.728 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.426 HD13 ' SD ' ' B' ' 8' ' ' MET . 85.2 mt -62.69 -39.81 95.13 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.149 177.228 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.415 ' O ' ' N ' ' A' ' 16' ' ' HIS . 19.5 mm -61.44 -43.84 97.47 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.777 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 -178.798 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 30.3 m-80 -59.83 -44.23 94.17 Favored 'General case' 0 C--N 1.313 -0.993 0 C-N-CA 120.206 -0.598 . . . . 0.0 110.365 -176.161 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 99.2 t -64.38 -48.65 84.37 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 C-N-CA 120.289 -0.564 . . . . 0.0 110.325 175.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -59.79 -48.26 82.39 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.663 0.744 . . . . 0.0 109.611 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.612 ' ND1' ' O ' ' A' ' 25' ' ' LYS . 5.2 t60 -61.55 -45.53 93.78 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 114.534 -1.212 . . . . 0.0 110.145 178.266 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.93 -49.51 76.52 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.511 178.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 66.4 m-70 -65.54 -37.8 87.78 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.071 177.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.451 ' CB ' ' H ' ' A' ' 27' ' ' LYS . 25.3 m -54.09 -44.02 70.86 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 178.457 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.46 -34.98 91.05 Favored Glycine 0 N--CA 1.444 -0.799 0 N-CA-C 110.671 -0.972 . . . . 0.0 110.671 177.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -63.09 -47.03 84.62 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 179.316 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.483 ' CD ' ' H ' ' A' ' 29' ' ' SER . 99.3 mt-10 -70.66 -40.75 72.81 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.481 -0.488 . . . . 0.0 110.551 177.341 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 146.33 -27.45 1.68 Allowed Glycine 0 CA--C 1.529 0.95 0 C-N-CA 121.145 -0.55 . . . . 0.0 112.69 176.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -75.75 152.41 37.41 Favored 'General case' 0 C--N 1.32 -0.716 0 O-C-N 122.196 -0.591 . . . . 0.0 110.879 -177.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.612 ' O ' ' ND1' ' A' ' 16' ' ' HIS . 0.0 OUTLIER -66.05 -45.14 82.45 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 171.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 14.1 p90 -150.01 92.5 1.9 Allowed 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.463 172.146 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.451 ' H ' ' CB ' ' A' ' 19' ' ' SER . 3.4 mmmm -161.52 154.06 20.23 Favored 'General case' 0 CA--C 1.498 -1.026 0 N-CA-C 106.332 -1.729 . . . . 0.0 106.332 167.662 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.453 ' HB3' HG11 ' A' ' 69' ' ' VAL . 31.6 tp -131.27 141.21 49.95 Favored 'General case' 0 C--N 1.3 -1.583 0 C-N-CA 120.013 -0.675 . . . . 0.0 110.031 179.48 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.483 ' H ' ' CD ' ' A' ' 22' ' ' GLU . 3.1 m -104.26 158.44 16.45 Favored 'General case' 0 C--N 1.308 -1.214 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 176.359 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.51 ' CE ' ' HB ' ' A' ' 69' ' ' VAL . 2.4 mmtm -67.73 -7.09 24.41 Favored 'General case' 0 C--N 1.314 -0.969 0 C-N-CA 119.598 -0.841 . . . . 0.0 112.343 -172.313 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.453 ' HD2' ' HG2' ' A' ' 22' ' ' GLU . 1.6 ptpm? -66.58 -51.99 50.42 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.768 0.318 . . . . 0.0 110.557 176.418 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' A' ' 36' ' ' LEU . 71.5 mm-40 -70.44 -35.86 73.61 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.435 176.464 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.417 ' HB2' HG13 ' A' ' 69' ' ' VAL . 3.4 tm? -58.2 -44.17 87.95 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.23 -170.232 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -62.71 -45.51 92.43 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 119.656 -0.818 . . . . 0.0 110.152 178.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -67.28 -42.9 83.04 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.664 0.745 . . . . 0.0 109.622 178.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 32' ' ' GLU . 31.1 tp -61.0 -48.48 81.61 Favored 'General case' 0 C--N 1.305 -1.342 0 CA-C-N 114.631 -1.168 . . . . 0.0 112.005 -179.663 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.428 ' CD2' ' C ' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -62.43 -49.81 73.98 Favored 'General case' 0 C--N 1.318 -0.765 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.824 -176.174 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -64.4 -41.89 96.39 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.199 0.523 . . . . 0.0 110.724 179.231 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 79.5 m -62.67 -52.06 64.8 Favored 'General case' 0 N--CA 1.439 -1.001 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.703 -177.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -76.46 -39.1 54.26 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 120.04 -0.664 . . . . 0.0 112.718 -176.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.8 mp -99.95 40.49 1.23 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.435 0.16 . . . . 0.0 110.958 -179.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 51.3 m -59.42 -40.93 88.3 Favored 'General case' 0 C--N 1.315 -0.919 0 C-N-CA 119.196 -1.001 . . . . 0.0 111.015 -178.04 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.06 -43.6 95.5 Favored Glycine 0 CA--C 1.527 0.825 0 N-CA-C 111.312 -0.715 . . . . 0.0 111.312 177.435 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -68.87 -43.24 75.77 Favored 'General case' 0 CA--C 1.509 -0.627 0 CA-C-O 121.059 0.457 . . . . 0.0 110.407 176.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 46.7 tp -60.95 -42.99 99.32 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.207 175.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.502 ' CG ' ' HZ2' ' A' ' 49' ' ' LYS . 30.3 t70 -61.55 -38.04 86.0 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.924 176.651 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.646 ' HB1' ' SD ' ' A' ' 85' ' ' MET . . . -70.22 -43.31 70.92 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.685 179.235 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.31 58.23 0.72 Allowed 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 120.658 0.266 . . . . 0.0 111.281 -179.248 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.502 ' HZ2' ' CG ' ' A' ' 46' ' ' ASP . 50.4 mttp -65.23 -44.27 88.8 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 121.046 0.451 . . . . 0.0 109.907 178.804 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -113.88 2.36 15.06 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.196 -0.911 . . . . 0.0 113.277 -172.376 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 62.9 t -59.8 137.37 22.31 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.895 0 C-N-CA 120.323 -0.551 . . . . 0.0 110.102 -178.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -55.62 -44.45 77.08 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.215 0.531 . . . . 0.0 110.108 -177.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.83 -39.51 81.45 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.539 -0.755 . . . . 0.0 112.243 -176.167 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.6 p -59.07 -45.11 92.65 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 C-N-CA 119.018 -1.073 . . . . 0.0 111.511 -175.214 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.487 ' O ' ' N ' ' A' ' 59' ' ' LYS . 28.6 t70 -61.52 -42.83 99.4 Favored 'General case' 0 CA--C 1.496 -1.118 0 C-N-CA 119.781 -0.768 . . . . 0.0 109.727 177.737 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.1 mmtp -63.03 -43.42 98.76 Favored 'General case' 0 C--N 1.318 -0.79 0 C-N-CA 120.347 -0.541 . . . . 0.0 109.86 -178.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.463 HG11 ' CD1' ' A' ' 77' ' ' LEU . 80.1 t -64.48 -43.98 96.94 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.917 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 178.798 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 19.7 mmm -61.09 -40.6 94.34 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 176.224 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.516 ' O ' ' HG2' ' A' ' 63' ' ' GLU . 22.7 tptp -65.96 -46.49 77.92 Favored 'General case' 0 N--CA 1.434 -1.266 0 CA-C-N 114.861 -1.063 . . . . 0.0 110.224 -176.374 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -58.98 -40.71 85.63 Favored 'General case' 0 CA--C 1.516 -0.351 0 C-N-CA 119.924 -0.71 . . . . 0.0 111.013 179.112 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -62.13 -41.4 98.22 Favored 'General case' 0 C--N 1.313 -0.993 0 C-N-CA 119.854 -0.738 . . . . 0.0 109.29 174.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -65.26 -41.55 94.17 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.346 176.058 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.516 ' HG2' ' O ' ' A' ' 59' ' ' LYS . 64.3 mm-40 -61.04 -41.26 96.24 Favored 'General case' 0 CA--C 1.513 -0.442 0 N-CA-C 107.385 -1.339 . . . . 0.0 107.385 176.323 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.46 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . 12.0 t-20 -86.62 30.94 0.69 Allowed 'General case' 0 N--CA 1.443 -0.79 0 CA-C-N 114.946 -1.025 . . . . 0.0 110.366 174.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -94.03 20.39 47.8 Favored Glycine 0 N--CA 1.461 0.308 0 N-CA-C 109.024 -1.63 . . . . 0.0 109.024 176.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -60.46 -44.65 95.67 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.062 -0.569 . . . . 0.0 110.465 -175.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -125.52 -76.99 0.27 Allowed Glycine 0 C--O 1.241 0.534 0 N-CA-C 111.521 -0.632 . . . . 0.0 111.521 -178.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.443 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 2.1 mp0 -139.15 -163.45 1.48 Allowed 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 -179.031 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.51 ' HB ' ' CE ' ' A' ' 30' ' ' LYS . 1.8 p -133.7 129.8 55.58 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.232 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 170.111 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.0 -176.74 3.33 Favored 'General case' 0 C--N 1.31 -1.115 0 C-N-CA 119.988 -0.685 . . . . 0.0 111.003 -178.509 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -60.54 -43.35 97.27 Favored 'General case' 0 C--N 1.302 -1.457 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.714 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -60.86 -43.55 98.23 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.026 179.268 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.467 ' O ' HG11 ' A' ' 76' ' ' VAL . 82.4 mt-10 -65.38 -40.72 93.86 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 119.87 -0.732 . . . . 0.0 109.727 174.691 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -60.76 -48.63 80.91 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.008 -178.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.525 HG23 ' N ' ' A' ' 76' ' ' VAL . 5.4 m -65.32 -42.89 94.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 C-N-CA 119.5 -0.88 . . . . 0.0 111.625 178.375 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.525 ' N ' HG23 ' A' ' 75' ' ' VAL . 0.8 OUTLIER -64.07 -39.49 85.65 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 C-N-CA 120.335 -0.546 . . . . 0.0 110.096 -177.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.463 ' CD1' HG11 ' A' ' 57' ' ' VAL . 49.8 tp -61.2 -49.55 76.72 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.953 178.686 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 17.1 m -70.89 -42.91 77.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 C-N-CA 119.835 -0.746 . . . . 0.0 110.878 177.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.08 -46.12 91.96 Favored 'General case' 0 CA--C 1.503 -0.85 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.086 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -54.75 -48.7 72.27 Favored 'General case' 0 CA--C 1.511 -0.545 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.7 mt -63.25 -41.31 99.05 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.896 175.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.41 ' O ' ' N ' ' A' ' 86' ' ' ASN . 16.3 m -61.72 -50.48 72.27 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.56 -0.456 . . . . 0.0 110.495 -179.441 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 10.7 p -63.7 -43.64 98.13 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 C-N-CA 120.174 -0.61 . . . . 0.0 110.263 177.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.88 -49.09 79.07 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.283 176.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.646 ' SD ' ' HB1' ' A' ' 47' ' ' ALA . 9.5 tpt -67.89 -46.15 72.44 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.535 -0.466 . . . . 0.0 111.125 178.648 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.429 ' HA ' ' CD2' ' A' ' 89' ' ' PHE . 4.2 m120 -61.36 -27.72 68.71 Favored 'General case' 0 CA--C 1.503 -0.86 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.376 -179.514 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.403 ' OD1' ' CE2' ' B' ' 26' ' ' TYR . 37.8 t30 -57.94 -40.06 79.56 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 177.206 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.414 ' O ' ' N ' ' A' ' 92' ' ' ASN . 69.5 m-85 -63.19 -39.49 94.8 Favored 'General case' 0 C--O 1.22 -0.454 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.663 174.79 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.429 ' CD2' ' HA ' ' A' ' 86' ' ' ASN . 14.0 m-30 -55.49 -51.18 67.84 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.871 -175.721 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 44.5 m95 -74.81 -44.0 51.68 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.337 -176.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -67.41 -40.47 85.57 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.699 179.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' A' ' 88' ' ' PHE . 21.0 t-20 -66.65 106.99 1.97 Allowed 'General case' 0 CA--C 1.507 -0.689 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 179.296 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 15.1 m . . . . . 0 C--O 1.206 -1.212 0 CA-C-O 118.177 -0.916 . . . . 0.0 109.66 -173.743 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.241 0.557 0 N-CA-C 111.288 -0.725 . . . . 0.0 111.288 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' SER . . . . . 0.432 ' O ' ' N ' ' B' ' 5' ' ' GLU . 4.0 m -62.84 149.82 43.29 Favored 'General case' 0 C--N 1.314 -0.956 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 177.801 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.438 ' OE1' ' N ' ' B' ' 3' ' ' GLU . 3.2 mp0 -53.15 -28.0 23.95 Favored 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 179.515 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.47 ' O ' ' HG2' ' B' ' 8' ' ' MET . 41.2 mt -62.25 -41.68 98.65 Favored 'General case' 0 N--CA 1.439 -0.976 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.387 176.441 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' B' ' 2' ' ' SER . 47.3 mt-10 -62.76 -42.99 99.94 Favored 'General case' 0 N--CA 1.443 -0.808 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 177.82 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.438 ' O ' ' N ' ' B' ' 10' ' ' THR . 7.0 m -61.92 -45.08 95.27 Favored 'General case' 0 C--O 1.242 0.685 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 172.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . 0.406 ' HB2' ' CB ' ' A' ' 7' ' ' ALA . . . -58.0 -45.76 86.31 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.923 179.454 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' MET . . . . . 0.47 ' HG2' ' O ' ' B' ' 4' ' ' LEU . 94.8 mmm -64.13 -40.98 97.34 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.943 -0.392 . . . . 0.0 109.943 178.348 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.82 -37.87 89.07 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 119.745 -0.782 . . . . 0.0 109.624 174.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' THR . . . . . 0.438 ' N ' ' O ' ' B' ' 6' ' ' THR . 10.1 m -59.39 -43.38 92.94 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 175.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.51 HD12 ' SD ' ' A' ' 8' ' ' MET . 84.2 mt -62.11 -41.74 98.53 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.92 174.766 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 23.4 mm -62.15 -43.79 98.27 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.633 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 179.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 40.0 m-80 -60.16 -44.05 95.32 Favored 'General case' 0 CA--C 1.505 -0.758 0 C-N-CA 120.435 -0.506 . . . . 0.0 111.387 -173.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 93.1 t -63.76 -48.84 84.65 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.914 0 C-N-CA 119.975 -0.69 . . . . 0.0 109.688 175.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.463 ' CZ ' ' HA ' ' B' ' 27' ' ' LYS . 70.1 t80 -59.89 -49.55 77.27 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.236 179.465 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.481 ' ND1' ' O ' ' B' ' 25' ' ' LYS . 23.5 t60 -67.08 -42.76 84.11 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.97 178.284 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . 0.465 ' O ' ' HG2' ' B' ' 21' ' ' LYS . . . -60.17 -49.43 77.67 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 176.612 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 78.8 m-70 -64.88 -35.15 80.2 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.862 176.306 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.406 ' CB ' ' H ' ' B' ' 27' ' ' LYS . 21.9 m -56.51 -44.48 80.76 Favored 'General case' 0 C--O 1.243 0.721 0 N-CA-C 107.508 -1.293 . . . . 0.0 107.508 172.713 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.78 -41.26 99.88 Favored Glycine 0 C--O 1.242 0.594 0 CA-C-N 114.802 -1.09 . . . . 0.0 110.777 176.023 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . 0.465 ' HG2' ' O ' ' B' ' 17' ' ' ALA . 74.5 mmtt -61.99 -47.2 85.85 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.622 -0.511 . . . . 0.0 109.622 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.525 ' OE1' ' N ' ' B' ' 29' ' ' SER . 98.8 mt-10 -72.87 -48.95 33.1 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.857 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 158.01 -45.55 0.47 Allowed Glycine 0 CA--C 1.532 1.108 0 C-N-CA 120.346 -0.931 . . . . 0.0 113.157 -178.067 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -66.42 147.28 53.53 Favored 'General case' 0 N--CA 1.478 0.966 0 CA-C-N 117.671 0.736 . . . . 0.0 111.153 -176.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.544 ' NZ ' ' CZ ' ' B' ' 26' ' ' TYR . 16.2 pttp -63.48 -37.39 87.11 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 120.518 -0.473 . . . . 0.0 110.072 176.282 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.544 ' CZ ' ' NZ ' ' B' ' 25' ' ' LYS . 2.8 p90 -158.23 92.04 1.14 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.064 169.57 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.49 ' HG2' ' O ' ' B' ' 26' ' ' TYR . 6.5 mmmm -163.7 157.4 19.13 Favored 'General case' 0 CA--C 1.495 -1.173 0 N-CA-C 106.159 -1.793 . . . . 0.0 106.159 168.134 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.532 ' O ' ' N ' ' B' ' 69' ' ' VAL . 38.5 tp -123.55 135.58 54.08 Favored 'General case' 0 C--N 1.292 -1.926 0 C-N-CA 119.987 -0.685 . . . . 0.0 109.847 -179.463 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.525 ' N ' ' OE1' ' B' ' 22' ' ' GLU . 2.1 m -102.54 177.47 4.85 Favored 'General case' 0 C--N 1.294 -1.838 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 178.756 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.03 -3.56 36.44 Favored 'General case' 0 C--N 1.304 -1.37 0 C-N-CA 120.047 -0.661 . . . . 0.0 109.312 177.296 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 61.8 mttm -61.29 -45.35 94.84 Favored 'General case' 0 CA--C 1.51 -0.593 0 N-CA-C 108.183 -1.044 . . . . 0.0 108.183 -178.158 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.406 ' HG3' ' HG3' ' B' ' 22' ' ' GLU . 63.3 mm-40 -111.32 -28.94 8.01 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-N 114.236 -1.347 . . . . 0.0 111.559 -173.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -57.91 -50.75 72.28 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.517 -0.473 . . . . 0.0 111.63 -170.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 17.2 pttp -68.16 -39.67 82.52 Favored 'General case' 0 C--N 1.315 -0.928 0 C-N-CA 119.869 -0.733 . . . . 0.0 110.655 178.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -67.87 -43.88 78.36 Favored 'General case' 0 C--O 1.24 0.579 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.67 -179.405 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.91 -38.32 37.74 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.053 -0.522 . . . . 0.0 112.202 -178.221 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.406 ' CD1' ' C ' ' B' ' 37' ' ' LEU . 2.3 tm? -59.62 -46.27 89.47 Favored 'General case' 0 CA--C 1.512 -0.484 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.005 -176.162 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.422 ' HG3' ' N ' ' B' ' 39' ' ' THR . 15.1 pt20 -63.07 -41.84 99.54 Favored 'General case' 0 C--N 1.316 -0.869 0 C-N-CA 119.921 -0.712 . . . . 0.0 109.468 175.443 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.422 ' N ' ' HG3' ' B' ' 38' ' ' GLN . 93.1 m -65.44 -53.16 46.79 Favored 'General case' 0 N--CA 1.437 -1.083 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.85 -176.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -69.78 -41.61 74.9 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -177.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 11.1 mp -95.45 37.57 1.18 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.13 0.491 . . . . 0.0 110.133 179.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -55.91 -34.56 65.69 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.652 -0.703 . . . . 0.0 111.569 -177.537 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.31 -51.8 35.47 Favored Glycine 0 C--O 1.242 0.648 0 N-CA-C 110.75 -0.94 . . . . 0.0 110.75 176.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.468 ' O ' ' CG ' ' B' ' 48' ' ' GLN . 44.2 m-85 -65.79 -41.58 91.8 Favored 'General case' 0 CA--C 1.494 -1.21 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 177.226 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.411 ' O ' ' HG3' ' B' ' 49' ' ' LYS . 1.4 tp -54.32 -46.54 72.87 Favored 'General case' 0 CA--C 1.499 -0.987 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.303 -177.269 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.59 ' O ' ' NZ ' ' B' ' 49' ' ' LYS . 13.0 t70 -60.79 -45.22 95.23 Favored 'General case' 0 C--N 1.3 -1.575 0 C-N-CA 119.852 -0.739 . . . . 0.0 111.022 176.167 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.37 -39.74 92.66 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 -179.466 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.468 ' CG ' ' O ' ' B' ' 44' ' ' PHE . 0.0 OUTLIER -78.85 -5.95 54.81 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 -174.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.59 ' NZ ' ' O ' ' B' ' 46' ' ' ASP . 5.6 mtmp? -58.49 -41.62 85.73 Favored 'General case' 0 CA--C 1.516 -0.346 0 C-N-CA 119.538 -0.865 . . . . 0.0 109.953 -177.238 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -95.18 16.37 16.7 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.764 -177.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . 0.61 ' C ' ' H ' ' B' ' 53' ' ' ALA . 22.7 t -109.38 -15.56 9.48 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 N-CA-C 111.853 0.316 . . . . 0.0 111.853 -177.531 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 30.0 t70 59.05 -23.3 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 -178.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . 0.61 ' H ' ' C ' ' B' ' 51' ' ' VAL . . . -51.87 -35.64 45.71 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-O 120.809 0.337 . . . . 0.0 110.57 -178.638 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 7.1 p -60.3 -40.09 82.8 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.406 178.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' B' ' 59' ' ' LYS . 33.2 t70 -57.41 -48.32 79.41 Favored 'General case' 0 CA--C 1.513 -0.467 0 C-N-CA 120.093 -0.643 . . . . 0.0 110.45 179.594 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.49 -43.55 96.92 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.998 179.689 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 95.4 t -63.83 -46.45 94.31 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.654 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 178.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 62.7 ttp -60.31 -43.3 96.47 Favored 'General case' 0 N--CA 1.429 -1.479 0 CA-C-N 114.819 -1.082 . . . . 0.0 109.853 175.209 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' B' ' 55' ' ' ASP . 14.0 tptp -62.71 -45.58 92.09 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.006 -178.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -69.54 -43.89 72.05 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.554 178.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -64.88 -38.58 91.45 Favored 'General case' 0 C--O 1.24 0.596 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.503 178.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -57.06 -29.72 63.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.21 -177.158 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -54.58 -58.36 7.79 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 177.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.533 ' C ' ' H ' ' B' ' 66' ' ' ASP . 80.3 m-20 -64.42 -40.95 96.76 Favored 'General case' 0 CA--C 1.504 -0.789 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.237 175.01 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -69.23 39.04 0.33 Allowed Glycine 0 C--N 1.32 -0.318 0 N-CA-C 111.32 -0.712 . . . . 0.0 111.32 -178.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.533 ' H ' ' C ' ' B' ' 64' ' ' ASN . 35.3 t70 -61.74 -42.35 98.85 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 177.833 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -134.17 -72.61 0.08 OUTLIER Glycine 0 C--N 1.317 -0.479 0 N-CA-C 109.475 -1.45 . . . . 0.0 109.475 176.216 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -91.44 152.63 20.3 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.81 0.338 . . . . 0.0 110.827 176.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.532 ' N ' ' O ' ' B' ' 28' ' ' LEU . 1.7 p -127.22 125.86 66.87 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 N-CA-C 107.221 -1.399 . . . . 0.0 107.221 168.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.5 ' CG ' ' N ' ' B' ' 71' ' ' PHE . 14.4 t70 -91.21 172.63 8.42 Favored 'General case' 0 C--N 1.308 -1.201 0 C-N-CA 120.117 -0.633 . . . . 0.0 111.428 -171.815 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.5 ' N ' ' CG ' ' B' ' 70' ' ' ASP . 52.7 t80 -59.39 -43.41 92.94 Favored 'General case' 0 C--N 1.314 -0.955 0 N-CA-C 108.45 -0.945 . . . . 0.0 108.45 -179.72 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -59.1 -38.34 79.29 Favored 'General case' 0 N--CA 1.437 -1.076 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.144 175.346 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 62.4 mm-40 -69.66 -42.71 73.83 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.62 0.724 . . . . 0.0 110.04 173.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 33.9 t80 -61.38 -47.18 87.0 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.188 -0.914 . . . . 0.0 111.803 -177.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 18.0 m -64.68 -41.36 92.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 C-N-CA 120.25 -0.58 . . . . 0.0 111.741 -178.324 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 23.6 m -65.79 -37.43 79.9 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.111 0 C-N-CA 120.245 -0.582 . . . . 0.0 111.073 178.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 48.3 tp -60.83 -48.81 80.09 Favored 'General case' 0 CA--C 1.511 -0.521 0 C-N-CA 120.15 -0.62 . . . . 0.0 110.08 178.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 13.9 m -70.25 -42.25 78.87 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.7 0 C-N-CA 120.023 -0.671 . . . . 0.0 111.295 176.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . 0.431 ' CB ' HG22 ' A' ' 75' ' ' VAL . . . -64.32 -42.62 96.21 Favored 'General case' 0 CA--C 1.503 -0.861 0 C-N-CA 120.606 -0.438 . . . . 0.0 111.195 179.576 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . 0.412 ' O ' HG11 ' B' ' 83' ' ' VAL . . . -59.43 -44.61 92.86 Favored 'General case' 0 N--CA 1.444 -0.759 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 179.549 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 99.6 mt -62.88 -43.18 99.49 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.426 175.122 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.439 ' O ' ' N ' ' B' ' 86' ' ' ASN . 17.6 m -63.03 -49.68 73.66 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.728 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . 0.412 HG11 ' O ' ' B' ' 80' ' ' ALA . 1.6 p -64.01 -44.31 97.81 Favored 'Isoleucine or valine' 0 C--O 1.238 0.475 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.772 -179.472 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -58.82 -52.41 65.83 Favored 'General case' 0 C--O 1.238 0.473 0 C-N-CA 120.709 -0.397 . . . . 0.0 110.262 178.074 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 85' ' ' MET . . . . . 0.443 ' SD ' HG21 ' B' ' 51' ' ' VAL . 94.5 mmm -65.31 -41.7 93.77 Favored 'General case' 0 CA--C 1.515 -0.382 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.788 178.033 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' B' ' 82' ' ' THR . 10.8 m-80 -62.18 -41.05 97.96 Favored 'General case' 0 CA--C 1.495 -1.142 0 C-N-CA 120.452 -0.499 . . . . 0.0 111.85 178.132 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . 0.418 ' C ' ' ND2' ' B' ' 87' ' ' ASN . 0.5 OUTLIER -56.67 -43.61 80.58 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 119.31 -0.956 . . . . 0.0 109.085 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.544 ' O ' ' N ' ' B' ' 92' ' ' ASN . 65.2 m-85 -67.75 -41.69 82.98 Favored 'General case' 0 C--O 1.219 -0.507 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.906 173.685 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . 0.407 ' HB2' ' HA ' ' B' ' 86' ' ' ASN . 3.9 t80 -57.72 -49.59 76.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.683 -170.151 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . 0.508 ' CH2' ' CD2' ' A' ' 16' ' ' HIS . 97.6 m95 -66.08 -38.53 88.49 Favored 'General case' 0 CA--C 1.492 -1.267 0 CA-C-O 121.618 0.723 . . . . 0.0 109.494 -177.516 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -68.87 -39.02 80.07 Favored 'General case' 0 C--N 1.305 -1.346 0 CA-C-N 114.415 -1.266 . . . . 0.0 109.436 175.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . 0.544 ' N ' ' O ' ' B' ' 88' ' ' PHE . 29.0 t-20 -52.48 116.02 2.06 Favored 'General case' 0 CA--C 1.501 -0.917 0 CA-C-N 115.265 -0.879 . . . . 0.0 111.083 -174.006 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 3.6 m . . . . . 0 C--O 1.2 -1.536 0 CA-C-N 114.891 -1.05 . . . . 0.0 108.954 -176.632 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.476 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -70.12 164.67 23.64 Favored 'General case' 0 C--O 1.248 0.995 0 CA-C-O 120.838 0.352 . . . . 0.0 110.741 -178.789 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 54.5 mp0 -58.09 -38.27 76.1 Favored 'General case' 0 C--N 1.313 -1.017 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 176.021 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.515 ' O ' ' HG2' ' A' ' 8' ' ' MET . 1.2 mm? -60.55 -45.39 94.06 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 178.458 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.461 ' HG2' ' CD2' ' B' ' 44' ' ' PHE . 95.3 mt-10 -65.76 -41.12 92.49 Favored 'General case' 0 C--N 1.316 -0.884 0 C-N-CA 119.756 -0.778 . . . . 0.0 109.31 176.485 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.2 m -62.47 -48.95 77.38 Favored 'General case' 0 C--O 1.245 0.848 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.396 177.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.82 -48.55 81.31 Favored 'General case' 0 CA--C 1.509 -0.629 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 178.454 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.515 ' HG2' ' O ' ' A' ' 4' ' ' LEU . 96.5 mmm -63.56 -40.41 96.91 Favored 'General case' 0 N--CA 1.444 -0.772 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.536 -179.804 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -62.5 -35.99 81.1 Favored 'General case' 0 C--O 1.241 0.647 0 C-N-CA 120.108 -0.637 . . . . 0.0 111.2 174.194 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 17.4 m -57.49 -44.43 84.92 Favored 'General case' 0 C--N 1.312 -1.053 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 176.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.535 HD11 ' SD ' ' B' ' 8' ' ' MET . 90.0 mt -63.95 -40.83 97.33 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.88 174.455 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.444 HD11 ' CE2' ' A' ' 71' ' ' PHE . 20.7 mm -62.21 -43.74 98.28 Favored 'Isoleucine or valine' 0 C--O 1.237 0.401 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 -179.493 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 66.1 m-20 -61.08 -43.15 99.32 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.973 -176.044 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 86.1 t -65.33 -43.24 95.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.462 175.305 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.487 ' CE1' ' HB2' ' A' ' 28' ' ' LEU . 62.6 t80 -56.92 -48.07 79.13 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.506 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -59.84 -44.45 94.08 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-N 116.258 -0.428 . . . . 0.0 112.117 176.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.88 -47.9 76.53 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 -179.178 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.463 ' NE2' ' HB2' ' A' ' 36' ' ' LEU . 89.8 m-70 -68.87 -37.05 78.8 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.902 177.316 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 74.1 m -54.88 -40.93 70.26 Favored 'General case' 0 C--O 1.242 0.71 0 N-CA-C 108.307 -0.998 . . . . 0.0 108.307 173.235 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.55 -42.62 97.8 Favored Glycine 0 N--CA 1.45 -0.406 0 N-CA-C 109.932 -1.267 . . . . 0.0 109.932 174.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 60.3 mttm -67.75 -45.57 74.56 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 120.604 0.24 . . . . 0.0 111.37 179.348 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.43 ' OE2' ' N ' ' A' ' 24' ' ' ASP . 0.0 OUTLIER -68.91 -37.24 78.82 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.92 -175.575 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 125.23 -30.44 4.54 Favored Glycine 0 N--CA 1.467 0.757 0 CA-C-N 116.35 -0.386 . . . . 0.0 113.046 175.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.43 ' N ' ' OE2' ' A' ' 22' ' ' GLU . 16.8 t70 -66.85 153.35 43.65 Favored 'General case' 0 CA--C 1.509 -0.621 0 CA-C-N 117.374 0.587 . . . . 0.0 111.434 -177.333 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.471 ' NZ ' ' OH ' ' A' ' 26' ' ' TYR . 32.1 pttt -57.55 -44.49 85.25 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.054 177.059 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.471 ' OH ' ' NZ ' ' A' ' 25' ' ' LYS . 4.3 p90 -158.54 92.69 1.15 Allowed 'General case' 0 C--N 1.315 -0.9 0 CA-C-O 121.646 0.736 . . . . 0.0 110.289 171.819 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.415 ' HG2' ' O ' ' A' ' 26' ' ' TYR . 36.0 mmtm -160.58 164.83 31.65 Favored 'General case' 0 C--N 1.307 -1.266 0 CA-C-N 114.044 -1.435 . . . . 0.0 108.259 174.544 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.51 ' O ' ' N ' ' A' ' 69' ' ' VAL . 36.0 tp -124.37 129.1 50.09 Favored 'General case' 0 C--N 1.294 -1.825 0 N-CA-C 107.575 -1.268 . . . . 0.0 107.575 173.383 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 94.7 p -82.9 165.2 19.95 Favored 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 178.149 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.565 ' HD2' ' N ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -74.85 -6.12 47.33 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 117.913 -1.515 . . . . 0.0 108.51 178.712 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 25.0 mttm -71.46 -59.01 2.99 Favored 'General case' 0 CA--C 1.516 -0.339 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 177.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -65.94 -39.42 90.46 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 114.652 -1.158 . . . . 0.0 110.003 179.437 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.416 ' CD1' HD22 ' A' ' 77' ' ' LEU . 2.2 tm? -60.01 -47.73 84.64 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.621 -174.594 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.497 ' NZ ' ' OD1' ' A' ' 62' ' ' ASP . 4.6 mmmm -67.23 -43.86 80.93 Favored 'General case' 0 C--N 1.312 -1.044 0 C-N-CA 120.209 -0.597 . . . . 0.0 111.384 178.475 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -72.13 -43.8 64.14 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.404 -177.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.463 ' HB2' ' NE2' ' A' ' 18' ' ' HIS . 0.3 OUTLIER -66.89 -40.72 87.83 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.457 -0.497 . . . . 0.0 111.867 179.575 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -60.1 -47.73 84.67 Favored 'General case' 0 CA--C 1.511 -0.523 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.61 -175.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -64.84 -42.55 94.82 Favored 'General case' 0 C--N 1.309 -1.157 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.878 176.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 96.3 m -63.6 -52.58 60.31 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.823 -177.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -73.1 -38.43 66.35 Favored 'General case' 0 N--CA 1.465 0.275 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -175.346 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.8 mp -103.73 40.2 1.47 Allowed 'General case' 0 C--O 1.24 0.595 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.575 -175.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.411 ' O ' ' N ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -55.82 -39.37 71.28 Favored 'General case' 0 C--N 1.307 -1.266 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.865 -176.878 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.38 -46.44 86.16 Favored Glycine 0 N--CA 1.449 -0.442 0 N-CA-C 111.368 -0.693 . . . . 0.0 111.368 178.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.638 ' HA ' ' SD ' ' A' ' 85' ' ' MET . 32.9 m-85 -66.0 -43.36 87.93 Favored 'General case' 0 CA--C 1.496 -1.122 0 CA-C-O 121.382 0.61 . . . . 0.0 109.624 176.095 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 22.3 tp -61.21 -48.38 81.79 Favored 'General case' 0 N--CA 1.429 -1.51 0 CA-C-N 114.99 -1.005 . . . . 0.0 110.877 176.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.411 ' N ' ' O ' ' A' ' 42' ' ' SER . 7.2 m-20 -66.4 -39.53 89.09 Favored 'General case' 0 C--N 1.312 -1.055 0 N-CA-C 112.57 0.582 . . . . 0.0 112.57 177.669 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.621 ' HB1' ' SD ' ' A' ' 85' ' ' MET . . . -56.83 -45.97 82.01 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.905 0.383 . . . . 0.0 110.913 -175.751 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.481 ' HB2' ' HB ' ' A' ' 51' ' ' VAL . 1.0 OUTLIER -116.58 40.87 2.81 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 121.233 0.54 . . . . 0.0 109.554 177.516 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.5 tttp -61.53 -43.21 99.28 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 -175.449 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 59.7 m-20 -93.43 -0.16 56.57 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 114.332 -1.304 . . . . 0.0 112.345 -176.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.486 ' O ' HG11 ' A' ' 54' ' ' VAL . 61.7 t -84.59 133.03 30.19 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.545 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 -178.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -54.78 -32.77 60.54 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -176.097 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.49 -37.04 62.34 Favored 'General case' 0 C--N 1.317 -0.805 0 C-N-CA 120.98 -0.288 . . . . 0.0 111.324 -176.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.486 HG11 ' O ' ' A' ' 51' ' ' VAL . 8.3 p -61.43 -36.67 74.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 C-N-CA 120.611 -0.435 . . . . 0.0 109.922 -178.585 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -59.02 -44.12 91.66 Favored 'General case' 0 CA--C 1.5 -0.956 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 177.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -63.48 -44.75 93.5 Favored 'General case' 0 CA--C 1.489 -1.376 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.31 -177.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 99.8 t -61.73 -45.27 99.05 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.244 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 179.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 13.9 mmm -63.54 -44.84 93.05 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.196 178.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.45 ' NZ ' ' OE2' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -68.39 -48.52 64.48 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.228 -178.228 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -66.58 -42.5 86.88 Favored 'General case' 0 N--CA 1.438 -1.067 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.851 -174.257 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.511 ' HG ' ' CD1' ' A' ' 77' ' ' LEU . 4.5 mm? -63.51 -39.82 95.43 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 119.864 -0.734 . . . . 0.0 110.443 170.099 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.497 ' OD1' ' NZ ' ' A' ' 34' ' ' LYS . 49.8 m-20 -62.58 -18.31 61.87 Favored 'General case' 0 CA--C 1.515 -0.393 0 C-N-CA 120.769 -0.372 . . . . 0.0 111.372 179.581 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.45 ' OE2' ' NZ ' ' A' ' 59' ' ' LYS . 81.0 mm-40 -59.43 -36.27 75.58 Favored 'General case' 0 CA--C 1.511 -0.532 0 N-CA-C 107.399 -1.334 . . . . 0.0 107.399 173.272 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.513 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . 38.5 t-20 -108.45 35.95 3.0 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 114.955 -1.02 . . . . 0.0 108.787 174.29 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.449 ' HA2' ' HE2' ' A' ' 30' ' ' LYS . . . -94.79 20.03 50.84 Favored Glycine 0 C--O 1.228 -0.266 0 N-CA-C 109.917 -1.273 . . . . 0.0 109.917 179.713 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -63.85 -39.83 95.14 Favored 'General case' 0 C--N 1.313 -1.002 0 N-CA-C 112.921 0.711 . . . . 0.0 112.921 -175.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -161.46 -70.95 0.02 OUTLIER Glycine 0 CA--C 1.527 0.809 0 C-N-CA 119.71 -1.233 . . . . 0.0 113.947 -176.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -113.16 154.14 27.15 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 -173.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.51 ' N ' ' O ' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -130.32 132.75 64.75 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 C-N-CA 123.73 0.812 . . . . 0.0 109.431 173.046 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.36 -173.39 3.05 Favored 'General case' 0 C--N 1.312 -1.05 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 178.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.448 ' HB3' ' HB ' ' B' ' 83' ' ' VAL . 29.9 t80 -61.33 -43.24 99.2 Favored 'General case' 0 C--N 1.301 -1.533 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.849 178.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -59.27 -45.61 90.75 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.37 179.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.478 ' HB2' HG22 ' A' ' 69' ' ' VAL . 81.6 mt-10 -65.71 -39.27 91.04 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 119.723 -0.791 . . . . 0.0 109.555 175.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -61.11 -48.74 80.25 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.483 -179.007 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 32.8 m -66.52 -40.64 86.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 -178.277 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.431 ' O ' ' N ' ' A' ' 80' ' ' ALA . 14.7 p -63.85 -39.14 84.35 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 C-N-CA 120.446 -0.502 . . . . 0.0 110.288 -177.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.511 ' CD1' ' HG ' ' A' ' 61' ' ' LEU . 44.2 tp -61.34 -49.44 76.95 Favored 'General case' 0 CA--C 1.513 -0.45 0 C-N-CA 120.684 -0.407 . . . . 0.0 110.902 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 29.9 m -68.12 -42.68 85.18 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.823 0 C-N-CA 119.877 -0.729 . . . . 0.0 109.989 178.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.423 ' CB ' ' CG2' ' B' ' 75' ' ' VAL . . . -64.03 -39.54 94.33 Favored 'General case' 0 CA--C 1.506 -0.736 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.233 179.141 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 76' ' ' VAL . . . -57.31 -47.21 82.1 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 -178.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 93.9 mt -63.04 -41.14 99.44 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.42 173.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 20.6 m -60.74 -51.94 67.21 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.688 -178.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.41 ' HB ' ' HB3' ' B' ' 71' ' ' PHE . 7.2 p -63.85 -43.19 97.76 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.552 0 C-N-CA 119.88 -0.728 . . . . 0.0 110.509 178.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.54 -49.61 76.84 Favored 'General case' 0 N--CA 1.441 -0.882 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 179.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.638 ' SD ' ' HA ' ' A' ' 44' ' ' PHE . 26.2 ttp -73.29 -44.69 58.7 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 120.162 -0.615 . . . . 0.0 111.28 -178.421 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.41 ' HB3' ' NE1' ' A' ' 90' ' ' TRP . 10.8 m120 -61.94 -33.97 75.25 Favored 'General case' 0 CA--C 1.503 -0.858 0 C-N-CA 121.027 -0.269 . . . . 0.0 110.886 -176.493 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.473 ' HA ' ' CE3' ' A' ' 90' ' ' TRP . 36.8 t30 -49.97 -35.14 23.16 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.033 175.761 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.495 ' O ' ' N ' ' A' ' 92' ' ' ASN . 29.8 m-85 -61.34 -44.17 97.63 Favored 'General case' 0 C--O 1.222 -0.351 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 176.293 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.403 ' O ' ' O ' ' A' ' 92' ' ' ASN . 20.8 m-85 -64.49 -40.04 94.92 Favored 'General case' 0 CA--C 1.511 -0.532 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.793 176.628 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.498 ' HB3' ' CD1' ' B' ' 26' ' ' TYR . 38.2 m0 -59.06 -47.26 85.88 Favored 'General case' 0 C--N 1.313 -1.004 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 -179.004 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -72.3 -42.86 65.0 Favored 'General case' 0 C--N 1.308 -1.213 0 CA-C-N 114.884 -1.053 . . . . 0.0 112.298 175.023 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.495 ' N ' ' O ' ' A' ' 88' ' ' PHE . 20.4 t30 -84.34 97.1 9.28 Favored 'General case' 0 CA--C 1.499 -1.008 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 177.36 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.6 m . . . . . 0 C--N 1.312 -1.046 0 CA-C-O 118.022 -0.989 . . . . 0.0 109.403 -174.086 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.357 0 N-CA-C 109.915 -1.274 . . . . 0.0 109.915 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 4.8 m -64.2 157.43 25.76 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-O 120.929 0.395 . . . . 0.0 110.865 -177.209 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 54.9 mp0 -51.73 -17.96 1.07 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.147 -177.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.421 ' O ' ' HG2' ' B' ' 8' ' ' MET . 96.0 mt -61.52 -41.84 97.92 Favored 'General case' 0 N--CA 1.44 -0.949 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.855 -178.042 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -62.01 -45.94 91.37 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 120.207 -0.597 . . . . 0.0 110.01 178.375 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 7.4 m -63.29 -45.85 89.49 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.061 0.458 . . . . 0.0 109.985 175.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.8 -46.79 77.92 Favored 'General case' 0 CA--C 1.513 -0.471 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 178.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' MET . . . . . 0.535 ' SD ' HD11 ' A' ' 11' ' ' LEU . 95.5 mmm -63.31 -41.08 98.91 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.208 179.647 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -66.01 -35.69 81.25 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 119.037 -1.065 . . . . 0.0 110.279 175.034 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 10.5 m -57.62 -43.44 84.76 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 177.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.496 ' CD2' HD11 ' A' ' 4' ' ' LEU . 94.7 mt -61.9 -42.76 99.46 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.327 175.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.495 HD13 ' CE2' ' B' ' 71' ' ' PHE . 22.5 mm -62.84 -45.38 98.99 Favored 'Isoleucine or valine' 0 C--O 1.24 0.588 0 CA-C-O 121.186 0.517 . . . . 0.0 110.209 -178.157 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 60.7 m-80 -64.35 -41.22 96.86 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.32 -179.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . 0.423 ' CG2' HD21 ' A' ' 4' ' ' LEU . 90.7 t -66.63 -43.78 90.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 176.339 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -58.53 -47.39 84.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.467 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.462 ' HA ' ' OG ' ' B' ' 19' ' ' SER . 23.4 m-70 -78.16 -15.44 58.84 Favored 'General case' 0 C--O 1.24 0.558 0 N-CA-C 113.364 0.876 . . . . 0.0 113.364 -178.216 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.48 -34.98 69.6 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 175.119 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.418 ' O ' ' HB2' ' B' ' 21' ' ' LYS . 92.3 m-70 -89.06 -23.84 22.46 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 114.928 -1.033 . . . . 0.0 112.014 177.095 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.462 ' OG ' ' HA ' ' B' ' 16' ' ' HIS . 73.9 m -54.71 -37.77 66.26 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 120.445 -0.502 . . . . 0.0 109.998 178.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.18 -27.41 70.53 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 110.641 -0.984 . . . . 0.0 110.641 178.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . 0.418 ' HB2' ' O ' ' B' ' 18' ' ' HIS . 14.6 mmtp -67.15 -43.81 81.36 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 112.913 0.709 . . . . 0.0 112.913 -172.496 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.528 ' CD ' ' HG ' ' B' ' 29' ' ' SER . 0.0 OUTLIER -143.11 -63.67 0.41 Allowed 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 -176.605 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.46 -166.11 0.37 Allowed Glycine 0 CA--C 1.528 0.854 0 CA-C-N 115.602 -0.726 . . . . 0.0 113.401 -170.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . 0.501 ' CG ' ' H ' ' B' ' 25' ' ' LYS . 32.7 t70 -64.33 175.24 1.37 Allowed 'General case' 0 C--O 1.237 0.403 0 C-N-CA 123.237 0.615 . . . . 0.0 110.822 -179.263 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.501 ' H ' ' CG ' ' B' ' 24' ' ' ASP . 8.6 pttm -51.84 -41.19 61.63 Favored 'General case' 0 C--O 1.24 0.566 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 176.266 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.498 ' CD1' ' HB3' ' A' ' 90' ' ' TRP . 0.0 OUTLIER -126.52 92.09 3.49 Favored 'General case' 0 N--CA 1.445 -0.722 0 C-N-CA 119.629 -0.828 . . . . 0.0 110.337 168.318 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.58 ' NZ ' ' HB3' ' B' ' 70' ' ' ASP . 0.6 OUTLIER -167.01 179.69 5.09 Favored 'General case' 0 C--N 1.31 -1.132 0 C-N-CA 124.795 1.238 . . . . 0.0 107.957 169.591 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 48.0 tp -146.03 132.64 19.86 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 173.229 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.528 ' HG ' ' CD ' ' B' ' 22' ' ' GLU . 2.5 m -83.52 158.26 22.06 Favored 'General case' 0 C--N 1.314 -0.948 0 C-N-CA 119.605 -0.838 . . . . 0.0 109.025 177.382 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.559 ' NZ ' ' O ' ' B' ' 64' ' ' ASN . 0.3 OUTLIER -66.98 -5.82 14.36 Favored 'General case' 0 C--O 1.246 0.869 0 C-N-CA 120.014 -0.674 . . . . 0.0 109.623 179.535 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 46.9 mttm -65.85 -67.16 0.46 Allowed 'General case' 0 CA--C 1.514 -0.41 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.053 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.554 ' O ' ' N ' ' B' ' 36' ' ' LEU . 66.2 mm-40 -65.76 -36.15 82.75 Favored 'General case' 0 N--CA 1.434 -1.258 0 CA-C-N 114.609 -1.178 . . . . 0.0 110.857 -179.682 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.461 ' HB2' HG13 ' B' ' 69' ' ' VAL . 1.8 tm? -57.15 -49.23 76.59 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 -168.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 38.5 mtmm -63.77 -43.91 94.96 Favored 'General case' 0 C--N 1.317 -0.832 0 C-N-CA 118.972 -1.091 . . . . 0.0 109.37 -179.024 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -68.65 -40.53 80.19 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-N 114.324 -1.307 . . . . 0.0 109.79 -178.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.554 ' N ' ' O ' ' B' ' 32' ' ' GLU . 3.6 tp -62.54 -45.63 92.07 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.114 -0.948 . . . . 0.0 110.371 171.617 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -63.15 -45.78 90.25 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.943 -178.205 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -64.27 -46.0 85.59 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.061 -0.656 . . . . 0.0 112.462 -177.002 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.436 HG21 ' O ' ' B' ' 36' ' ' LEU . 0.5 OUTLIER -61.77 -51.76 67.01 Favored 'General case' 0 C--O 1.244 0.809 0 C-N-CA 119.632 -0.827 . . . . 0.0 111.394 -177.148 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 40.1 mm-40 -69.58 -36.46 76.27 Favored 'General case' 0 N--CA 1.439 -0.978 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -174.142 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 9.3 mp -102.77 28.66 5.94 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.532 179.396 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 30.8 m -52.61 -42.13 64.31 Favored 'General case' 0 C--O 1.242 0.676 0 CA-C-O 120.823 0.344 . . . . 0.0 110.721 -178.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -61.75 -44.65 97.61 Favored Glycine 0 N--CA 1.449 -0.452 0 N-CA-C 110.704 -0.958 . . . . 0.0 110.704 179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.461 ' CD2' ' HG2' ' A' ' 5' ' ' GLU . 14.0 m-85 -73.12 -45.63 55.84 Favored 'General case' 0 CA--C 1.501 -0.913 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.452 176.291 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 15.2 tp -61.62 -49.95 74.54 Favored 'General case' 0 C--N 1.312 -1.028 0 N-CA-C 114.059 1.133 . . . . 0.0 114.059 -172.157 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -65.55 -36.9 85.14 Favored 'General case' 0 C--N 1.306 -1.31 0 C-N-CA 120.189 -0.604 . . . . 0.0 110.9 -177.355 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.64 -34.97 78.13 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.381 178.31 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.445 ' HG3' ' O ' ' B' ' 44' ' ' PHE . 2.7 pp0? -103.62 15.06 29.82 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 -172.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -59.09 -40.29 84.83 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 120.722 -0.391 . . . . 0.0 111.809 179.246 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -98.75 22.77 9.58 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-O 120.734 0.302 . . . . 0.0 111.623 -175.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . 0.476 ' O ' ' N ' ' B' ' 53' ' ' ALA . 45.9 t -104.38 14.6 6.86 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.392 -179.532 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 19.8 t70 60.84 -46.94 0.11 Allowed 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 112.763 0.653 . . . . 0.0 112.763 176.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . 0.476 ' N ' ' O ' ' B' ' 51' ' ' VAL . . . -48.49 -34.53 11.34 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.812 -174.206 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.434 ' HB ' ' OE1' ' B' ' 48' ' ' GLN . 14.7 p -52.56 -37.57 24.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 179.297 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.574 ' CG ' ' HZ2' ' B' ' 59' ' ' LYS . 33.7 t70 -61.48 -48.06 82.81 Favored 'General case' 0 CA--C 1.51 -0.579 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.67 176.279 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 41.0 mttp -65.42 -43.33 90.86 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.487 -178.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . 0.509 ' CG1' HD11 ' B' ' 77' ' ' LEU . 70.5 t -64.44 -44.73 97.06 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-N 115.121 -0.945 . . . . 0.0 108.649 178.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 65.9 ttp -60.58 -38.84 85.96 Favored 'General case' 0 N--CA 1.43 -1.455 0 CA-C-N 114.346 -1.297 . . . . 0.0 109.549 173.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . 0.574 ' HZ2' ' CG ' ' B' ' 55' ' ' ASP . 0.4 OUTLIER -59.95 -48.77 80.32 Favored 'General case' 0 CA--C 1.508 -0.656 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.37 -174.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -63.26 -41.54 99.05 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.274 -178.16 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -62.93 -39.82 95.77 Favored 'General case' 0 C--N 1.314 -0.965 0 C-N-CA 120.193 -0.603 . . . . 0.0 109.846 175.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -64.53 -40.24 95.24 Favored 'General case' 0 C--O 1.234 0.273 0 O-C-N 123.561 0.538 . . . . 0.0 110.541 176.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . 0.466 ' HG3' ' O ' ' B' ' 59' ' ' LYS . 98.7 mt-10 -60.3 -41.13 92.76 Favored 'General case' 0 CA--C 1.51 -0.576 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 178.211 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.559 ' O ' ' NZ ' ' B' ' 30' ' ' LYS . 23.2 m120 -90.24 17.42 7.14 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-N 114.49 -1.232 . . . . 0.0 109.39 176.068 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -104.51 26.02 24.0 Favored Glycine 0 C--O 1.224 -0.491 0 CA-C-N 116.059 -0.519 . . . . 0.0 112.194 -174.107 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -61.72 -41.39 97.57 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.778 178.485 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -136.69 -71.57 0.06 OUTLIER Glycine 0 C--N 1.32 -0.359 0 N-CA-C 111.649 -0.58 . . . . 0.0 111.649 -177.48 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -133.63 176.47 8.52 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.342 0.592 . . . . 0.0 112.181 -178.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.473 ' CG2' ' HB2' ' B' ' 73' ' ' GLU . 1.5 p -127.21 136.59 60.26 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.162 0 C-N-CA 124.342 1.057 . . . . 0.0 109.288 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.58 ' HB3' ' NZ ' ' B' ' 27' ' ' LYS . 0.6 OUTLIER -101.17 -176.96 3.3 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 121.583 0.706 . . . . 0.0 111.59 179.151 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.495 ' CE2' HD13 ' B' ' 12' ' ' ILE . 48.2 t80 -60.14 -44.05 95.25 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-N 114.822 -1.081 . . . . 0.0 109.769 -179.066 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . 0.43 ' O ' HG21 ' B' ' 75' ' ' VAL . 24.6 mt-30 -60.03 -40.78 90.51 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.659 179.225 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.473 ' HB2' ' CG2' ' B' ' 69' ' ' VAL . 70.6 mt-10 -67.18 -41.9 85.15 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 119.172 -1.011 . . . . 0.0 109.25 173.749 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -61.16 -49.43 77.25 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.266 -176.151 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . 0.43 HG21 ' O ' ' B' ' 72' ' ' GLN . 31.0 m -64.18 -42.56 95.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 116.267 -0.424 . . . . 0.0 112.123 -178.821 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . 0.475 ' O ' ' N ' ' B' ' 80' ' ' ALA . 11.7 p -66.18 -39.02 83.24 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 C-N-CA 120.113 -0.635 . . . . 0.0 110.114 178.069 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . 0.509 HD11 ' CG1' ' B' ' 57' ' ' VAL . 57.7 tp -61.48 -49.06 78.31 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.668 -179.456 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 19.6 m -67.91 -41.98 85.27 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 C-N-CA 119.949 -0.7 . . . . 0.0 110.371 178.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.71 -42.55 99.7 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.86 176.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . 0.475 ' N ' ' O ' ' B' ' 76' ' ' VAL . . . -56.33 -48.56 76.5 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.632 -178.698 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 88.3 mt -64.05 -42.23 97.1 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.373 174.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 15.8 m -62.52 -49.11 76.64 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.663 -177.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . 0.448 ' HB ' ' HB3' ' A' ' 71' ' ' PHE . 14.7 p -61.51 -45.87 97.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.749 0.309 . . . . 0.0 111.246 -179.528 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -58.55 -50.95 71.9 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 120.568 -0.453 . . . . 0.0 110.013 -179.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 85' ' ' MET . . . . . 0.413 ' SD ' ' HD1' ' B' ' 44' ' ' PHE . 0.0 OUTLIER -66.41 -44.59 82.57 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.801 178.542 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . 0.485 ' HB3' ' NE1' ' B' ' 90' ' ' TRP . 6.6 m120 -63.67 -39.29 93.95 Favored 'General case' 0 CA--C 1.508 -0.66 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.986 -179.115 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -49.63 -39.58 36.43 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.165 177.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.516 ' O ' ' N ' ' B' ' 92' ' ' ASN . 76.4 m-85 -62.08 -41.89 98.64 Favored 'General case' 0 C--O 1.217 -0.643 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.082 175.389 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -60.08 -41.52 92.64 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.345 175.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . 0.565 ' CD1' ' N ' ' B' ' 90' ' ' TRP . 8.8 m0 -68.01 -51.7 44.05 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.027 -0.669 . . . . 0.0 109.978 -179.215 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . 0.458 ' CD ' ' HH ' ' A' ' 26' ' ' TYR . 93.5 mt-10 -73.12 -46.27 52.18 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.151 -0.931 . . . . 0.0 112.393 -177.529 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . 0.516 ' N ' ' O ' ' B' ' 88' ' ' PHE . 50.4 t-20 -99.53 100.62 11.67 Favored 'General case' 0 CA--C 1.502 -0.874 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.514 179.113 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.204 -1.308 0 CA-C-O 118.429 -0.796 . . . . 0.0 110.202 -176.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 0.379 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.472 ' HG ' ' CD ' ' B' ' 40' ' ' GLU . 7.9 m -76.16 179.81 5.47 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 178.016 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -51.26 -17.39 0.69 Allowed 'General case' 0 C--O 1.237 0.44 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 178.017 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.448 ' N ' ' C ' ' A' ' 2' ' ' SER . 0.1 OUTLIER -56.91 -45.59 82.57 Favored 'General case' 0 N--CA 1.435 -1.193 0 CA-C-N 114.68 -1.146 . . . . 0.0 109.118 -175.088 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.444 ' HG2' ' CD2' ' B' ' 44' ' ' PHE . 98.6 mt-10 -65.3 -42.34 93.15 Favored 'General case' 0 N--CA 1.445 -0.675 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.963 179.029 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.9 m -62.22 -46.04 90.64 Favored 'General case' 0 C--O 1.244 0.777 0 CA-C-O 121.092 0.472 . . . . 0.0 110.051 175.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.45 -49.48 76.11 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.817 179.217 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 96.9 mmm -65.36 -41.04 94.23 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.095 179.496 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -64.65 -35.68 81.82 Favored 'General case' 0 CA--C 1.513 -0.468 0 C-N-CA 119.888 -0.725 . . . . 0.0 111.283 177.176 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 18.6 m -58.33 -43.38 88.21 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 176.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 83.8 mt -62.91 -40.77 98.6 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.334 174.171 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.457 HD12 ' CE2' ' A' ' 71' ' ' PHE . 20.9 mm -62.36 -44.23 98.99 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 CA-C-O 121.091 0.472 . . . . 0.0 109.82 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 43.2 m-80 -62.17 -41.9 98.75 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.532 -177.355 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.403 HG21 HD13 ' B' ' 4' ' ' LEU . 91.2 t -63.26 -42.87 97.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 174.802 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -58.35 -47.93 82.2 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.487 178.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -60.86 -43.32 98.51 Favored 'General case' 0 CA--C 1.506 -0.739 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.422 174.288 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.29 -48.76 68.08 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.359 -176.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -75.74 -31.49 59.62 Favored 'General case' 0 C--N 1.319 -0.759 0 C-N-CA 120.637 -0.425 . . . . 0.0 111.858 176.048 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 70.2 m -52.2 -42.33 63.41 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.642 -177.018 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.29 -28.42 70.88 Favored Glycine 0 CA--C 1.528 0.848 0 N-CA-C 111.491 -0.644 . . . . 0.0 111.491 -179.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -64.29 -41.54 96.82 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 -173.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.459 ' CD ' ' HG ' ' A' ' 29' ' ' SER . 0.0 OUTLIER -144.52 -53.13 0.31 Allowed 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -177.838 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.25 -178.38 1.21 Allowed Glycine 0 CA--C 1.527 0.827 0 CA-C-N 116.25 -0.432 . . . . 0.0 112.889 -173.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.417 ' O ' ' C ' ' A' ' 25' ' ' LYS . 26.2 t70 -60.85 163.07 6.06 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.214 -0.493 . . . . 0.0 109.719 177.624 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 24' ' ' ASP . 0.5 OUTLIER -37.45 -41.26 0.43 Allowed 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 120.97 -0.292 . . . . 0.0 110.349 -176.918 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.515 ' HB2' ' CE3' ' B' ' 90' ' ' TRP . 10.7 p90 -132.44 90.16 2.75 Favored 'General case' 0 N--CA 1.441 -0.901 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.081 167.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.492 ' HG2' ' O ' ' A' ' 26' ' ' TYR . 2.0 mmmm -165.97 161.7 17.64 Favored 'General case' 0 C--N 1.316 -0.881 0 C-N-CA 125.532 1.533 . . . . 0.0 107.145 170.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 55.6 tp -123.92 131.09 53.52 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.123 175.27 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.459 ' HG ' ' CD ' ' A' ' 22' ' ' GLU . 1.1 m -86.92 158.21 19.34 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 176.743 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.657 ' NZ ' ' HA ' ' A' ' 62' ' ' ASP . 10.3 mmmm -68.97 -7.08 31.93 Favored 'General case' 0 C--N 1.311 -1.092 0 C-N-CA 119.534 -0.866 . . . . 0.0 110.161 -177.433 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 47.3 mttm -64.29 -48.6 75.05 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-O 121.795 0.807 . . . . 0.0 109.139 -177.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.528 ' O ' ' N ' ' A' ' 36' ' ' LEU . 68.2 mm-40 -86.82 -30.87 21.18 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 114.456 -1.247 . . . . 0.0 111.003 -178.817 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.454 ' HB2' HG11 ' A' ' 69' ' ' VAL . 3.2 tm? -59.02 -43.77 91.63 Favored 'General case' 0 C--N 1.313 -0.999 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 -177.249 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.492 ' HZ3' ' CG ' ' A' ' 62' ' ' ASP . 59.6 mttp -63.51 -42.41 98.48 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.227 -0.589 . . . . 0.0 110.719 177.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.405 ' O ' ' CG2' ' A' ' 39' ' ' THR . 6.0 mm-40 -67.17 -43.68 81.63 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.748 0.785 . . . . 0.0 108.91 175.765 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.528 ' N ' ' O ' ' A' ' 32' ' ' GLU . 21.4 tp -60.88 -48.33 82.31 Favored 'General case' 0 C--N 1.309 -1.191 0 CA-C-N 114.357 -1.292 . . . . 0.0 112.747 -178.37 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -64.13 -44.93 90.72 Favored 'General case' 0 C--N 1.309 -1.177 0 C-N-CA 120.091 -0.643 . . . . 0.0 111.394 -176.229 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -66.44 -44.87 81.63 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 112.867 0.691 . . . . 0.0 112.867 -178.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.405 ' CG2' ' O ' ' A' ' 35' ' ' GLU . 0.9 OUTLIER -66.11 -52.65 46.66 Favored 'General case' 0 C--O 1.24 0.574 0 C-N-CA 120.308 -0.557 . . . . 0.0 111.963 -178.126 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -72.39 -35.14 68.34 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 -171.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 11.1 mp -99.88 35.23 2.07 Favored 'General case' 0 CA--C 1.508 -0.646 0 CA-C-O 121.272 0.558 . . . . 0.0 109.704 177.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.31 -36.24 70.86 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.947 -176.685 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.54 -42.71 80.18 Favored Glycine 0 C--O 1.241 0.534 0 N-CA-C 111.268 -0.733 . . . . 0.0 111.268 176.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.765 ' HA ' ' SD ' ' A' ' 85' ' ' MET . 54.8 m-85 -69.58 -41.57 75.64 Favored 'General case' 0 CA--C 1.496 -1.123 0 CA-C-O 121.619 0.723 . . . . 0.0 109.419 177.749 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 48.9 tp -62.01 -44.03 97.58 Favored 'General case' 0 N--CA 1.431 -1.406 0 CA-C-N 114.457 -1.247 . . . . 0.0 110.188 175.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -58.72 -45.9 88.57 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.641 176.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.659 ' CB ' ' SD ' ' A' ' 85' ' ' MET . . . -62.76 -36.39 82.91 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.818 -175.207 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -131.0 47.55 2.53 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 -176.006 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -63.19 -39.54 94.95 Favored 'General case' 0 C--O 1.242 0.698 0 C-N-CA 120.12 -0.632 . . . . 0.0 109.868 172.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -80.05 -3.94 50.64 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-N 114.581 -1.191 . . . . 0.0 112.428 -173.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.414 ' O ' HG13 ' A' ' 54' ' ' VAL . 8.7 t -88.71 132.54 33.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 -179.74 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.64 -28.46 67.25 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.796 -179.139 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.69 -38.86 92.06 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.729 -0.669 . . . . 0.0 112.615 -173.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.414 HG13 ' O ' ' A' ' 51' ' ' VAL . 9.6 p -57.21 -43.62 82.14 Favored 'Isoleucine or valine' 0 C--O 1.237 0.413 0 C-N-CA 120.661 -0.416 . . . . 0.0 111.041 -174.632 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -59.79 -50.01 75.48 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.829 0.823 . . . . 0.0 109.51 176.004 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.403 ' O ' ' HG3' ' A' ' 60' ' ' GLU . 44.6 mttp -65.2 -40.85 94.75 Favored 'General case' 0 C--N 1.306 -1.322 0 CA-C-N 114.249 -1.342 . . . . 0.0 111.325 -176.057 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 53.0 t -60.87 -47.07 95.01 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.848 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 177.353 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 57.5 ttp -61.48 -42.24 98.48 Favored 'General case' 0 C--N 1.306 -1.291 0 CA-C-N 114.653 -1.158 . . . . 0.0 110.323 174.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.15 -37.54 87.73 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.772 -176.704 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' A' ' 56' ' ' LYS . 90.6 mt-10 -58.46 -35.12 71.67 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.13 0.491 . . . . 0.0 110.295 178.203 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.468 ' C ' ' HZ2' ' A' ' 30' ' ' LYS . 2.4 mm? -62.66 -35.92 81.2 Favored 'General case' 0 C--N 1.308 -1.225 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.289 176.01 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.657 ' HA ' ' NZ ' ' A' ' 30' ' ' LYS . 94.2 m-20 -69.19 -20.88 63.99 Favored 'General case' 0 C--N 1.313 -0.983 0 C-N-CA 120.689 -0.404 . . . . 0.0 112.005 178.448 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -62.58 -69.56 0.25 Allowed 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 175.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.426 ' C ' ' H ' ' A' ' 66' ' ' ASP . 16.8 t-20 -67.47 -48.39 67.3 Favored 'General case' 0 CA--C 1.502 -0.885 0 CA-C-O 121.593 0.711 . . . . 0.0 109.73 178.59 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.42 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . . . -74.22 54.17 2.29 Favored Glycine 0 N--CA 1.434 -1.464 0 N-CA-C 108.961 -1.656 . . . . 0.0 108.961 178.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.426 ' H ' ' C ' ' A' ' 64' ' ' ASN . 33.2 t70 -63.1 -34.82 78.42 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-O 121.58 0.705 . . . . 0.0 109.138 -179.809 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -121.99 -62.65 0.22 Allowed Glycine 0 C--N 1.318 -0.442 0 CA-C-N 114.762 -1.108 . . . . 0.0 110.648 179.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -117.64 167.9 10.91 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 110.413 -0.217 . . . . 0.0 110.413 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.454 HG11 ' HB2' ' A' ' 33' ' ' LEU . 2.4 p -128.17 133.3 67.31 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 173.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -98.94 -177.12 3.53 Favored 'General case' 0 C--N 1.316 -0.863 0 C-N-CA 120.341 -0.544 . . . . 0.0 110.335 -179.8 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.457 ' CE2' HD12 ' A' ' 12' ' ' ILE . 61.6 t80 -60.93 -44.74 96.79 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-O 121.388 0.613 . . . . 0.0 109.993 179.111 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.425 ' O ' HG22 ' A' ' 75' ' ' VAL . 50.5 mt-30 -60.3 -40.25 89.87 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.159 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.414 ' CB ' HG23 ' A' ' 69' ' ' VAL . 89.9 mt-10 -69.73 -41.06 75.79 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.134 -0.626 . . . . 0.0 110.685 173.481 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 31.4 t80 -60.53 -48.77 80.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.82 -178.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.518 HG23 ' CB ' ' B' ' 79' ' ' ALA . 27.6 m -63.06 -44.37 99.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -179.229 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.41 ' O ' ' N ' ' A' ' 80' ' ' ALA . 13.6 p -64.82 -39.27 85.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.571 -178.148 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.456 ' HB2' ' HG ' ' A' ' 61' ' ' LEU . 47.9 tp -60.8 -48.66 80.77 Favored 'General case' 0 CA--C 1.508 -0.651 0 CA-C-O 121.05 0.452 . . . . 0.0 110.595 -179.171 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 18.4 m -68.25 -41.59 83.94 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.179 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.614 178.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.423 ' CB ' HG22 ' B' ' 75' ' ' VAL . . . -62.78 -40.42 97.25 Favored 'General case' 0 CA--C 1.508 -0.64 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.734 176.738 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.41 ' N ' ' O ' ' A' ' 76' ' ' VAL . . . -57.06 -48.72 77.86 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.046 -178.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 94.5 mt -63.55 -40.11 96.14 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 174.135 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.462 ' HA ' ' CE2' ' A' ' 44' ' ' PHE . 19.8 m -61.54 -50.32 73.14 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.209 -178.467 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.406 HG12 ' HG3' ' B' ' 72' ' ' GLN . 10.0 p -61.86 -43.66 97.71 Favored 'Isoleucine or valine' 0 C--O 1.238 0.471 0 C-N-CA 120.26 -0.576 . . . . 0.0 110.22 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.18 -50.9 72.25 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.274 179.199 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.765 ' SD ' ' HA ' ' A' ' 44' ' ' PHE . 34.1 ttp -74.64 -42.46 58.49 Favored 'General case' 0 C--O 1.221 -0.426 0 C-N-CA 120.176 -0.61 . . . . 0.0 111.145 -179.174 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.559 ' OD1' ' NE1' ' A' ' 90' ' ' TRP . 1.8 t-20 -62.77 -33.89 76.09 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 119.877 -0.729 . . . . 0.0 110.544 -173.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.607 ' HA ' ' CD2' ' A' ' 90' ' ' TRP . 0.1 OUTLIER -48.92 -31.93 8.16 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.572 174.758 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.476 ' HB3' ' O ' ' A' ' 85' ' ' MET . 54.1 t80 -58.75 -44.71 90.64 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.873 176.701 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -62.72 -44.26 96.69 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.275 177.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.607 ' CD2' ' HA ' ' A' ' 87' ' ' ASN . 3.2 m0 -63.27 -41.03 98.99 Favored 'General case' 0 CA--C 1.507 -0.696 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 -175.733 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.446 ' CD ' HD22 ' A' ' 87' ' ' ASN . 96.2 mt-10 -98.89 -2.39 37.76 Favored 'General case' 0 C--O 1.247 0.957 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.437 -175.472 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.447 ' ND2' ' CZ ' ' A' ' 88' ' ' PHE . 8.3 t-20 -45.71 116.63 1.23 Allowed 'General case' 0 CA--C 1.505 -0.776 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.191 -174.324 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 58.6 m . . . . . 0 C--O 1.207 -1.176 0 CA-C-O 118.078 -0.963 . . . . 0.0 110.018 -176.809 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.5 0 N-CA-C 111.341 -0.704 . . . . 0.0 111.341 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 14.6 m -64.35 154.74 34.47 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 176.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -46.59 -26.79 0.96 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.756 0.312 . . . . 0.0 110.727 -178.227 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.433 ' O ' ' HG2' ' B' ' 8' ' ' MET . 0.7 OUTLIER -60.46 -41.86 94.98 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.666 -178.926 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 -62.61 -40.68 97.71 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 119.387 -0.925 . . . . 0.0 109.556 176.442 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.41 ' O ' ' N ' ' B' ' 10' ' ' THR . 10.9 m -63.63 -47.53 80.96 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-O 121.467 0.651 . . . . 0.0 109.276 175.117 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.55 -47.34 84.54 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.64 -179.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' MET . . . . . 0.433 ' HG2' ' O ' ' B' ' 4' ' ' LEU . 96.6 mmm -63.39 -40.63 97.74 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.545 -0.462 . . . . 0.0 110.597 179.341 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.33 -37.25 86.5 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 119.63 -0.828 . . . . 0.0 110.685 172.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' THR . . . . . 0.41 ' N ' ' O ' ' B' ' 6' ' ' THR . 8.8 m -58.31 -43.19 88.03 Favored 'General case' 0 C--O 1.237 0.428 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 177.062 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 98.4 mt -62.22 -41.43 98.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.864 176.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.425 HD13 ' CE2' ' B' ' 71' ' ' PHE . 26.4 mm -62.53 -44.14 99.05 Favored 'Isoleucine or valine' 0 C--O 1.236 0.384 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 178.811 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -61.62 -43.61 98.55 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.645 -177.317 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 93.6 t -65.4 -47.31 87.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 174.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -59.26 -49.1 79.14 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.078 -177.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.502 ' CE1' ' HB3' ' B' ' 26' ' ' TYR . 11.1 m-70 -80.78 -15.51 56.23 Favored 'General case' 0 CA--C 1.508 -0.661 0 N-CA-C 113.522 0.934 . . . . 0.0 113.522 -178.361 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.27 -42.57 91.52 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 107.551 -1.277 . . . . 0.0 107.551 174.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.41 ' ND1' ' OE1' ' B' ' 32' ' ' GLU . 87.4 m-70 -73.94 -34.92 64.49 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.608 -1.178 . . . . 0.0 111.785 176.058 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 72.2 m -50.3 -37.04 34.4 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-O 120.848 0.356 . . . . 0.0 111.752 -176.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.87 -21.66 52.4 Favored Glycine 0 C--N 1.31 -0.884 0 N-CA-C 111.682 -0.567 . . . . 0.0 111.682 -179.192 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -81.57 -72.48 0.43 Allowed 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 114.104 1.15 . . . . 0.0 114.104 -169.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.438 ' CD ' ' HG ' ' B' ' 29' ' ' SER . 46.1 mt-10 -67.03 -45.15 78.37 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 113.813 -1.54 . . . . 0.0 114.252 -160.595 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -179.03 -73.93 0.06 OUTLIER Glycine 0 CA--C 1.527 0.788 0 C-N-CA 119.075 -1.536 . . . . 0.0 114.424 -177.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -59.94 157.45 12.58 Favored 'General case' 0 CA--C 1.507 -0.679 0 O-C-N 122.537 -0.39 . . . . 0.0 111.198 -172.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -62.43 -43.03 99.8 Favored 'General case' 0 CA--C 1.481 -1.7 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 176.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.502 ' HB3' ' CE1' ' B' ' 16' ' ' HIS . 0.0 OUTLIER -139.5 93.09 2.63 Favored 'General case' 0 N--CA 1.427 -1.586 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.447 177.012 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.431 ' HG2' ' O ' ' B' ' 26' ' ' TYR . 5.8 mmtm -163.71 167.46 21.01 Favored 'General case' 0 CA--C 1.498 -1.038 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.552 173.33 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.474 ' O ' ' N ' ' B' ' 69' ' ' VAL . 48.2 tp -124.69 133.13 53.31 Favored 'General case' 0 C--N 1.292 -1.892 0 N-CA-C 107.173 -1.417 . . . . 0.0 107.173 170.498 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.438 ' HG ' ' CD ' ' B' ' 22' ' ' GLU . 0.7 OUTLIER -101.24 -177.54 3.47 Favored 'General case' 0 C--N 1.307 -1.262 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.03 -176.002 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.539 ' NZ ' ' O ' ' B' ' 65' ' ' GLY . 8.3 mmmm -80.98 0.55 35.1 Favored 'General case' 0 C--N 1.314 -0.942 0 C-N-CA 120.84 -0.344 . . . . 0.0 111.765 -174.202 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.419 ' O ' ' HG2' ' B' ' 35' ' ' GLU . 6.4 mttt -88.61 -62.97 1.37 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 -179.433 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.41 ' OE1' ' ND1' ' B' ' 18' ' ' HIS . 67.1 mm-40 -66.98 -34.43 77.73 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.565 -179.369 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -58.83 -43.83 90.78 Favored 'General case' 0 C--O 1.238 0.469 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 -178.425 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 46.1 mttp -63.37 -42.85 98.88 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 176.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . 0.475 ' O ' HG21 ' B' ' 39' ' ' THR . 80.4 mm-40 -67.75 -42.02 82.44 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.551 -176.721 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -82.09 -40.28 22.17 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 113.227 0.825 . . . . 0.0 113.227 -173.53 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -60.37 -42.46 95.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.169 0.509 . . . . 0.0 110.002 -178.209 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -59.58 -42.25 92.08 Favored 'General case' 0 C--N 1.312 -1.064 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.475 HG21 ' O ' ' B' ' 35' ' ' GLU . 2.8 p -80.41 -50.13 10.52 Favored 'General case' 0 CA--C 1.506 -0.719 0 C-N-CA 120.044 -0.663 . . . . 0.0 111.083 -178.606 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.472 ' CD ' ' HG ' ' A' ' 2' ' ' SER . 62.5 mm-40 -58.25 -40.17 81.07 Favored 'General case' 0 N--CA 1.439 -1.013 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.646 -172.253 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 8.4 mp -107.51 31.52 5.37 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.376 177.006 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 2.6 p -55.29 -37.69 67.64 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.981 -176.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -64.24 -48.14 77.67 Favored Glycine 0 C--O 1.242 0.629 0 N-CA-C 110.561 -1.016 . . . . 0.0 110.561 176.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.455 ' HD1' ' SD ' ' B' ' 85' ' ' MET . 29.5 m-85 -66.2 -41.41 90.21 Favored 'General case' 0 CA--C 1.503 -0.856 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.408 178.404 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.0 tp -60.51 -47.42 86.23 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.254 -0.884 . . . . 0.0 110.722 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -67.69 -43.04 81.07 Favored 'General case' 0 C--N 1.317 -0.807 0 C-N-CA 119.733 -0.787 . . . . 0.0 111.108 176.546 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.7 -49.14 78.91 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.711 -177.094 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.448 ' NE2' ' HB ' ' B' ' 54' ' ' VAL . 0.0 OUTLIER -103.9 37.08 2.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.338 0.589 . . . . 0.0 110.585 178.911 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 1.5 tttp -61.97 -42.14 98.8 Favored 'General case' 0 C--N 1.308 -1.239 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.509 -179.031 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -85.43 37.7 0.7 Allowed 'General case' 0 C--O 1.239 0.522 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.284 -179.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 54.9 t -118.17 130.27 73.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 120.974 0.416 . . . . 0.0 110.727 -179.236 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -58.06 -39.34 78.24 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.558 179.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.12 -27.46 54.03 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.669 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.448 ' HB ' ' NE2' ' B' ' 48' ' ' GLN . 0.9 OUTLIER -59.46 -41.5 84.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 C-N-CA 119.717 -0.793 . . . . 0.0 110.205 179.774 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -69.09 -57.14 5.81 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-O 121.486 0.66 . . . . 0.0 110.092 175.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . 0.426 ' HA ' ' CD ' ' B' ' 59' ' ' LYS . 50.4 mttp -65.2 -39.07 92.33 Favored 'General case' 0 C--N 1.307 -1.249 0 CA-C-N 114.796 -1.093 . . . . 0.0 113.83 -174.203 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 76.1 t -62.82 -47.68 91.68 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 177.439 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' MET . . . . . 0.422 ' O ' ' HB2' ' B' ' 62' ' ' ASP . 66.1 ttp -63.64 -47.02 83.02 Favored 'General case' 0 N--CA 1.431 -1.376 0 CA-C-N 114.873 -1.058 . . . . 0.0 110.939 177.529 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . 0.462 ' HG2' ' N ' ' B' ' 60' ' ' GLU . 1.1 ptmt -71.37 -42.68 68.14 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 -176.553 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . 0.462 ' N ' ' HG2' ' B' ' 59' ' ' LYS . 86.8 mt-10 -65.88 -42.66 90.05 Favored 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 119.513 -0.875 . . . . 0.0 109.838 -179.128 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -64.52 -34.8 79.07 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.283 0.563 . . . . 0.0 109.541 173.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.423 ' O ' ' NZ ' ' B' ' 30' ' ' LYS . 23.7 t70 -55.54 -40.0 71.3 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.397 -178.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -64.97 -40.22 94.65 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 -179.283 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.453 ' O ' ' N ' ' B' ' 66' ' ' ASP . 0.2 OUTLIER -61.17 -40.7 94.89 Favored 'General case' 0 CA--C 1.493 -1.241 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 176.717 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.539 ' O ' ' NZ ' ' B' ' 30' ' ' LYS . . . -66.39 57.77 0.18 Allowed Glycine 0 N--CA 1.442 -0.946 0 N-CA-C 109.511 -1.436 . . . . 0.0 109.511 176.126 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' B' ' 64' ' ' ASN . 32.3 t70 -50.72 -29.08 10.42 Favored 'General case' 0 CA--C 1.504 -0.826 0 C-N-CA 123.204 0.601 . . . . 0.0 109.961 -178.393 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -169.81 -45.66 0.03 OUTLIER Glycine 0 C--N 1.307 -1.078 0 N-CA-C 108.914 -1.675 . . . . 0.0 108.914 177.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -110.66 153.36 25.34 Favored 'General case' 0 N--CA 1.437 -1.103 0 CA-C-N 114.341 -0.929 . . . . 0.0 108.514 174.171 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.474 ' N ' ' O ' ' B' ' 28' ' ' LEU . 2.4 p -126.05 129.94 72.24 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.231 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 173.57 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.409 ' CG ' ' N ' ' B' ' 71' ' ' PHE . 0.0 OUTLIER -93.96 177.06 6.11 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.172 -0.611 . . . . 0.0 111.374 -172.66 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.425 ' CE2' HD13 ' B' ' 12' ' ' ILE . 65.3 t80 -61.23 -45.47 94.42 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.624 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . 0.406 ' HG3' HG12 ' A' ' 83' ' ' VAL . 25.6 mt-30 -61.03 -42.94 99.43 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 178.411 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -66.74 -42.09 86.79 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.881 176.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 34.7 t80 -61.12 -48.56 81.06 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.826 179.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . 0.457 HG23 ' N ' ' B' ' 76' ' ' VAL . 20.9 m -63.34 -42.49 96.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 119.994 -0.683 . . . . 0.0 111.884 -177.18 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . 0.457 ' N ' HG23 ' B' ' 75' ' ' VAL . 15.0 p -64.96 -38.67 83.39 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.717 0 C-N-CA 120.49 -0.484 . . . . 0.0 110.25 -179.038 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 62.2 tp -61.37 -48.35 81.69 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.505 179.199 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 21.5 m -69.61 -42.12 80.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 C-N-CA 120.002 -0.679 . . . . 0.0 110.354 177.191 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . 0.518 ' CB ' HG23 ' A' ' 75' ' ' VAL . . . -61.71 -43.55 98.63 Favored 'General case' 0 CA--C 1.507 -0.691 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.95 -179.458 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.34 -48.4 76.85 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.81 -178.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 97.8 mt -63.7 -41.87 98.05 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.725 175.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 18.3 m -61.69 -50.57 71.94 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.789 -178.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 14.6 p -63.76 -43.43 97.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 120.43 -0.508 . . . . 0.0 110.245 178.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.22 -50.99 71.12 Favored 'General case' 0 CA--C 1.515 -0.385 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.056 179.463 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 85' ' ' MET . . . . . 0.455 ' SD ' ' HD1' ' B' ' 44' ' ' PHE . 0.0 OUTLIER -68.27 -48.19 65.69 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.979 179.098 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . 0.62 ' OD1' ' NE1' ' B' ' 90' ' ' TRP . 1.8 t-20 -63.89 -39.01 93.18 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.297 -176.713 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . 0.432 ' HA ' ' CD2' ' B' ' 90' ' ' TRP . 19.7 t-20 -48.87 -33.85 11.45 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.895 177.805 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.573 ' O ' ' N ' ' B' ' 92' ' ' ASN . 85.2 t80 -58.16 -44.85 88.14 Favored 'General case' 0 C--O 1.217 -0.611 0 C-N-CA 120.347 -0.541 . . . . 0.0 109.83 177.433 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -61.83 -40.04 93.92 Favored 'General case' 0 C--N 1.318 -0.765 0 C-N-CA 120.379 -0.529 . . . . 0.0 110.41 176.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . 0.62 ' NE1' ' OD1' ' B' ' 86' ' ' ASN . 8.4 m0 -61.78 -45.93 91.74 Favored 'General case' 0 CA--C 1.502 -0.89 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 179.634 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -87.3 -10.8 51.38 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 115.174 -0.921 . . . . 0.0 112.018 -178.228 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . 0.573 ' N ' ' O ' ' B' ' 88' ' ' PHE . 64.6 t-20 -46.53 105.14 0.06 Allowed 'General case' 0 CA--C 1.502 -0.869 0 CA-C-O 120.994 0.426 . . . . 0.0 110.097 -178.751 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 10.2 m . . . . . 0 C--N 1.304 -1.4 0 CA-C-O 118.175 -0.917 . . . . 0.0 109.74 -175.38 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.594 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m -69.38 176.26 3.49 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 179.117 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -59.73 -47.19 86.63 Favored 'General case' 0 CA--C 1.502 -0.869 0 C-N-CA 120.534 -0.467 . . . . 0.0 110.439 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.55 ' N ' HD23 ' A' ' 4' ' ' LEU . 2.4 mm? -62.21 -43.48 98.72 Favored 'General case' 0 C--N 1.306 -1.323 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 -179.398 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 67.5 mt-10 -64.85 -47.43 77.98 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.245 177.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.471 ' O ' ' N ' ' A' ' 10' ' ' THR . 11.7 m -61.09 -43.66 98.55 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.96 176.603 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.67 -48.62 74.74 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 176.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.457 ' HG2' ' O ' ' A' ' 4' ' ' LEU . 97.1 mmm -64.45 -41.52 96.49 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.766 177.118 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -63.07 -36.58 84.07 Favored 'General case' 0 C--O 1.24 0.592 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 177.506 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.471 ' N ' ' O ' ' A' ' 6' ' ' THR . 11.7 m -59.39 -45.46 91.41 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 176.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.501 HD11 ' SD ' ' B' ' 8' ' ' MET . 91.5 mt -62.79 -41.0 99.06 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.745 176.181 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.507 HD12 ' CD1' ' A' ' 71' ' ' PHE . 23.5 mm -62.08 -44.03 98.48 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.631 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.022 178.273 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -59.76 -44.41 93.87 Favored 'General case' 0 C--N 1.317 -0.845 0 C-N-CA 120.13 -0.628 . . . . 0.0 109.916 -177.375 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 76.6 t -64.64 -49.16 81.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 C-N-CA 120.458 -0.497 . . . . 0.0 110.475 175.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -59.88 -47.6 85.11 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.534 0.683 . . . . 0.0 109.793 179.282 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.418 ' N ' ' O ' ' A' ' 12' ' ' ILE . 1.8 t60 -63.5 -45.84 88.83 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 114.99 -1.005 . . . . 0.0 110.105 -179.484 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.31 -50.03 74.23 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.39 179.319 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 -68.17 -36.21 79.26 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 120.515 -0.474 . . . . 0.0 111.073 178.361 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.3 m -54.53 -42.6 71.07 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 108.463 -0.939 . . . . 0.0 108.463 173.27 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.54 -36.94 92.51 Favored Glycine 0 N--CA 1.445 -0.727 0 N-CA-C 110.743 -0.943 . . . . 0.0 110.743 178.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -63.23 -42.12 99.2 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -175.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.578 ' CD ' ' H ' ' A' ' 29' ' ' SER . 0.2 OUTLIER -96.49 -70.04 0.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.066 -0.654 . . . . 0.0 112.395 -174.929 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -172.25 175.53 45.45 Favored Glycine 0 C--N 1.32 -0.33 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 -179.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.8 t70 64.95 147.94 0.03 OUTLIER 'General case' 0 CA--C 1.512 -0.489 0 C-N-CA 122.917 0.487 . . . . 0.0 110.262 -176.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.453 ' HD2' ' CE1' ' A' ' 26' ' ' TYR . 19.4 pttm -61.11 -40.9 95.53 Favored 'General case' 0 C--N 1.31 -1.144 0 C-N-CA 120.51 -0.476 . . . . 0.0 110.395 179.586 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.476 ' CE1' ' CD1' ' B' ' 90' ' ' TRP . 0.1 OUTLIER -152.86 92.63 1.67 Allowed 'General case' 0 C--O 1.242 0.698 0 C-N-CA 120.608 -0.437 . . . . 0.0 111.575 170.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.1 mmmm -152.6 153.06 32.61 Favored 'General case' 0 C--N 1.314 -0.969 0 N-CA-C 106.608 -1.627 . . . . 0.0 106.608 166.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 69' ' ' VAL . 46.1 tp -126.53 132.5 51.35 Favored 'General case' 0 C--N 1.306 -1.304 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 -176.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.578 ' H ' ' CD ' ' A' ' 22' ' ' GLU . 50.8 m -84.03 162.08 20.49 Favored 'General case' 0 C--N 1.311 -1.088 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 179.151 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.494 ' NZ ' ' O ' ' A' ' 64' ' ' ASN . 0.2 OUTLIER -71.43 -5.96 36.71 Favored 'General case' 0 C--N 1.309 -1.173 0 C-N-CA 120.229 -0.588 . . . . 0.0 110.572 -177.019 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.4 ' HG3' ' HB2' ' A' ' 29' ' ' SER . 1.4 pttt -75.29 -64.73 1.0 Allowed 'General case' 0 N--CA 1.473 0.723 0 CA-C-O 120.887 0.375 . . . . 0.0 110.104 179.043 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -61.07 -32.02 71.68 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.304 176.191 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.44 ' C ' ' CD1' ' A' ' 33' ' ' LEU . 3.2 tm? -58.91 -49.1 79.09 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.308 -177.37 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.46 ' NZ ' ' O ' ' A' ' 30' ' ' LYS . 6.2 mttp -65.68 -44.7 85.41 Favored 'General case' 0 CA--C 1.512 -0.483 0 C-N-CA 119.757 -0.777 . . . . 0.0 110.657 178.362 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -68.09 -47.73 67.45 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.878 -174.439 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.75 -41.1 75.65 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 179.713 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -61.74 -47.96 82.89 Favored 'General case' 0 C--O 1.238 0.463 0 C-N-CA 120.249 -0.581 . . . . 0.0 111.106 -176.113 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -65.96 -43.31 88.32 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 119.881 -0.728 . . . . 0.0 109.825 177.417 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 96.1 m -62.36 -50.55 71.13 Favored 'General case' 0 N--CA 1.442 -0.852 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.513 179.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.564 ' CD ' ' HG ' ' B' ' 2' ' ' SER . 64.1 mm-40 -70.88 -39.13 73.0 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 120.512 -0.475 . . . . 0.0 112.126 -176.262 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.1 mp -108.7 33.84 3.99 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -177.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.465 ' O ' ' N ' ' A' ' 46' ' ' ASP . 67.7 m -52.75 -39.75 62.48 Favored 'General case' 0 C--N 1.319 -0.752 0 C-N-CA 120.217 -0.593 . . . . 0.0 110.758 -177.524 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.21 -48.95 64.48 Favored Glycine 0 CA--C 1.529 0.924 0 N-CA-C 111.75 -0.54 . . . . 0.0 111.75 178.076 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.413 ' CD1' ' SD ' ' A' ' 85' ' ' MET . 0.3 OUTLIER -65.47 -42.92 91.76 Favored 'General case' 0 CA--C 1.508 -0.648 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 178.482 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 47.9 tp -62.56 -44.54 96.09 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 114.708 -1.133 . . . . 0.0 111.189 177.166 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.514 ' O ' ' NZ ' ' A' ' 49' ' ' LYS . 22.7 t70 -59.95 -42.6 94.43 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.234 -0.439 . . . . 0.0 112.028 -178.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.63 ' CB ' ' SD ' ' A' ' 85' ' ' MET . . . -61.2 -24.05 66.05 Favored 'General case' 0 C--N 1.311 -1.068 0 N-CA-C 112.659 0.615 . . . . 0.0 112.659 -174.569 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.426 HE22 ' CG2' ' A' ' 54' ' ' VAL . 1.9 pp0? -129.36 37.45 4.01 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 -175.47 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.514 ' NZ ' ' O ' ' A' ' 46' ' ' ASP . 37.1 mtmm -61.04 -37.7 83.53 Favored 'General case' 0 C--O 1.237 0.427 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 177.729 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.405 ' OD1' ' N ' ' A' ' 50' ' ' ASP . 17.7 p-10 -84.81 10.54 11.23 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.489 -1.232 . . . . 0.0 111.413 -176.22 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.422 ' HB ' ' HB2' ' A' ' 48' ' ' GLN . 46.1 t -109.64 132.25 58.34 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 CA-C-O 120.673 0.273 . . . . 0.0 110.356 -175.278 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -58.95 -35.47 73.18 Favored 'General case' 0 CA--C 1.504 -0.813 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.762 -178.398 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -49.28 -27.56 3.92 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.049 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.426 ' CG2' HE22 ' A' ' 48' ' ' GLN . 1.7 p -58.43 -44.47 88.85 Favored 'Isoleucine or valine' 0 C--O 1.242 0.681 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.079 178.641 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.479 ' O ' ' N ' ' A' ' 59' ' ' LYS . 27.4 t70 -64.19 -45.47 88.18 Favored 'General case' 0 CA--C 1.496 -1.129 0 CA-C-O 121.279 0.562 . . . . 0.0 109.598 174.28 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.9 mmtp -62.75 -39.66 94.83 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.574 -174.378 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.406 ' CG1' HD12 ' A' ' 77' ' ' LEU . 93.2 t -59.68 -46.83 92.94 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.985 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 176.377 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 15.3 mmm -64.88 -44.15 90.59 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.283 177.108 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 55' ' ' ASP . 1.0 OUTLIER -66.2 -43.29 87.2 Favored 'General case' 0 N--CA 1.443 -0.803 0 CA-C-N 114.641 -1.163 . . . . 0.0 111.621 -173.678 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -57.24 -43.24 82.74 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 177.426 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.511 ' HG ' ' CD1' ' A' ' 77' ' ' LEU . 1.1 mm? -64.73 -40.01 94.6 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.89 172.167 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.468 ' O ' ' N ' ' A' ' 65' ' ' GLY . 24.7 t70 -64.8 -34.64 78.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.95 -176.571 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -54.14 -38.12 65.14 Favored 'General case' 0 CA--C 1.503 -0.858 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 178.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.494 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . 12.9 t-20 -102.64 35.99 2.31 Favored 'General case' 0 N--CA 1.438 -1.026 0 CA-C-N 115.045 -0.979 . . . . 0.0 109.197 173.059 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . -83.91 7.48 70.28 Favored Glycine 0 C--N 1.319 -0.366 0 N-CA-C 108.623 -1.791 . . . . 0.0 108.623 176.323 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -57.55 -44.71 85.42 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.581 -0.809 . . . . 0.0 110.611 -177.095 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -140.0 -75.11 0.05 OUTLIER Glycine 0 C--O 1.239 0.433 0 N-CA-C 111.6 -0.6 . . . . 0.0 111.6 -179.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -122.78 -178.6 3.98 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.434 0.635 . . . . 0.0 111.557 -176.228 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.495 ' N ' ' O ' ' A' ' 28' ' ' LEU . 1.6 p -128.23 131.89 68.81 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.217 0 N-CA-C 107.507 -1.294 . . . . 0.0 107.507 171.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.85 179.91 5.32 Favored 'General case' 0 C--N 1.318 -0.802 0 C-N-CA 120.294 -0.563 . . . . 0.0 110.627 -178.557 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.507 ' CD1' HD12 ' A' ' 12' ' ' ILE . 40.8 t80 -61.83 -44.09 97.54 Favored 'General case' 0 C--N 1.308 -1.203 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.885 179.651 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.479 ' NE2' ' HB3' ' B' ' 80' ' ' ALA . 78.9 mt-30 -58.22 -44.24 88.09 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 120.285 -0.566 . . . . 0.0 110.691 177.489 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.494 ' CB ' HG21 ' A' ' 69' ' ' VAL . 87.1 mt-10 -65.71 -40.68 92.48 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.295 0.569 . . . . 0.0 109.922 175.312 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -60.74 -47.82 84.56 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.178 -179.234 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.443 HG21 ' CB ' ' B' ' 79' ' ' ALA . 21.1 m -64.03 -43.15 97.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 C-N-CA 119.854 -0.738 . . . . 0.0 111.548 -179.687 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 80' ' ' ALA . 11.3 p -65.38 -34.35 69.88 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.451 0 C-N-CA 119.857 -0.737 . . . . 0.0 109.948 178.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.511 ' CD1' ' HG ' ' A' ' 61' ' ' LEU . 51.0 tp -60.78 -49.34 77.88 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 178.193 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 31.8 m -71.54 -41.52 72.28 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.64 0 C-N-CA 120.184 -0.607 . . . . 0.0 111.033 176.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.11 -38.67 92.1 Favored 'General case' 0 CA--C 1.506 -0.746 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.874 178.568 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.471 ' HB3' HE21 ' B' ' 72' ' ' GLN . . . -57.88 -47.54 82.46 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 -179.404 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 87.5 mt -62.8 -42.55 99.76 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 121.249 0.547 . . . . 0.0 109.58 173.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.9 m -62.27 -50.44 71.67 Favored 'General case' 0 N--CA 1.445 -0.725 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.721 -177.107 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.422 HG12 ' HG3' ' B' ' 72' ' ' GLN . 11.7 p -63.9 -44.13 97.95 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.335 0 C-N-CA 120.039 -0.664 . . . . 0.0 109.908 178.413 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.84 -53.51 57.39 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.998 -179.097 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.63 ' SD ' ' CB ' ' A' ' 47' ' ' ALA . 16.5 ttp -67.16 -43.93 81.03 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 119.498 -0.881 . . . . 0.0 110.159 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.556 ' ND2' HG13 ' B' ' 12' ' ' ILE . 83.5 m-20 -62.9 -35.37 79.81 Favored 'General case' 0 CA--C 1.502 -0.892 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.076 -178.253 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -45.77 -39.22 7.96 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 176.474 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -63.6 -39.38 94.23 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.761 179.274 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -56.58 -46.57 80.71 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 121.256 0.55 . . . . 0.0 109.891 -178.459 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 23.2 m95 -85.34 -32.76 22.29 Favored 'General case' 0 C--N 1.302 -1.472 0 CA-C-N 115.227 -0.897 . . . . 0.0 112.518 -173.031 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.421 ' CD ' ' HH ' ' B' ' 26' ' ' TYR . 75.7 mm-40 -87.5 -56.94 3.14 Favored 'General case' 0 C--N 1.304 -1.391 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.574 -177.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -132.42 99.94 4.83 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.089 -178.141 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.0 m . . . . . 0 C--O 1.206 -1.212 0 CA-C-O 118.007 -0.997 . . . . 0.0 110.091 179.33 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.466 0 N-CA-C 110.751 -0.94 . . . . 0.0 110.751 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' SER . . . . . 0.564 ' HG ' ' CD ' ' A' ' 40' ' ' GLU . 6.1 m -72.54 175.5 6.26 Favored 'General case' 0 C--N 1.314 -0.948 0 C-N-CA 122.286 0.235 . . . . 0.0 111.505 -177.132 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -49.04 -17.85 0.24 Allowed 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.631 176.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.449 ' O ' ' HG2' ' B' ' 8' ' ' MET . 73.0 mt -60.52 -41.08 93.68 Favored 'General case' 0 N--CA 1.435 -1.216 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 -177.511 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -61.82 -43.09 99.54 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 119.503 -0.879 . . . . 0.0 108.963 178.086 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.409 ' O ' ' N ' ' B' ' 10' ' ' THR . 6.8 m -62.62 -45.27 93.64 Favored 'General case' 0 N--CA 1.443 -0.8 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 175.782 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.07 -46.3 88.62 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.02 178.361 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' MET . . . . . 0.501 ' SD ' HD11 ' A' ' 11' ' ' LEU . 94.0 mmm -63.29 -41.7 99.01 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.372 -0.531 . . . . 0.0 110.181 178.534 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -62.12 -37.27 84.51 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.358 173.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' THR . . . . . 0.409 ' N ' ' O ' ' B' ' 6' ' ' THR . 7.5 m -60.79 -43.66 97.81 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.428 -0.952 . . . . 0.0 108.428 176.723 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 82.7 mt -62.58 -41.5 98.97 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.949 174.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.556 HG13 ' ND2' ' A' ' 86' ' ' ASN . 14.7 mm -62.3 -43.86 98.52 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.661 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.384 -178.688 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -60.32 -44.78 95.15 Favored 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 120.183 -0.607 . . . . 0.0 110.726 -175.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . 0.414 ' CG2' HD21 ' A' ' 4' ' ' LEU . 89.3 t -65.0 -48.19 85.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 C-N-CA 120.521 -0.472 . . . . 0.0 110.573 176.41 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.483 ' CE1' ' HB2' ' B' ' 28' ' ' LEU . 82.5 t80 -60.68 -47.94 83.99 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.444 0.64 . . . . 0.0 110.04 178.453 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.479 ' ND1' ' O ' ' B' ' 25' ' ' LYS . 6.2 t60 -62.71 -43.72 98.08 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-N 115.142 -0.936 . . . . 0.0 109.507 179.576 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . 0.465 ' O ' ' HG2' ' B' ' 21' ' ' LYS . . . -60.27 -51.17 70.7 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.366 175.457 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.442 ' HA ' ' CG ' ' B' ' 21' ' ' LYS . 72.3 m-70 -65.44 -34.93 79.45 Favored 'General case' 0 CA--C 1.503 -0.859 0 C-N-CA 120.663 -0.415 . . . . 0.0 111.524 177.824 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.449 ' N ' ' O ' ' B' ' 15' ' ' PHE . 43.8 m -56.62 -41.33 76.91 Favored 'General case' 0 N--CA 1.447 -0.588 0 N-CA-C 107.861 -1.163 . . . . 0.0 107.861 173.546 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.72 -41.18 99.04 Favored Glycine 0 N--CA 1.442 -0.901 0 N-CA-C 110.015 -1.234 . . . . 0.0 110.015 174.092 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . 0.465 ' HG2' ' O ' ' B' ' 17' ' ' ALA . 75.6 mmtt -63.27 -43.2 98.61 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 179.577 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -67.0 -41.48 86.63 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.816 176.28 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' B' ' 19' ' ' SER . . . 122.64 28.14 1.48 Allowed Glycine 0 CA--C 1.523 0.556 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.712 176.518 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -133.08 158.17 43.44 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-N 117.075 0.438 . . . . 0.0 111.258 179.143 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.479 ' O ' ' ND1' ' B' ' 16' ' ' HIS . 0.2 OUTLIER -64.58 -46.92 80.66 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 175.434 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.442 ' CD1' ' N ' ' B' ' 26' ' ' TYR . 8.3 p90 -155.16 91.6 1.36 Allowed 'General case' 0 C--O 1.241 0.614 0 CA-C-O 121.325 0.583 . . . . 0.0 111.563 169.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.434 ' O ' ' HA ' ' B' ' 19' ' ' SER . 7.4 mmmm -158.29 153.5 25.61 Favored 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 105.746 -1.946 . . . . 0.0 105.746 167.705 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.483 ' HB2' ' CE1' ' B' ' 15' ' ' PHE . 50.2 tp -129.49 128.8 43.61 Favored 'General case' 0 C--N 1.301 -1.521 0 C-N-CA 119.961 -0.696 . . . . 0.0 110.712 179.542 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 8.2 p -83.71 165.65 18.73 Favored 'General case' 0 C--N 1.308 -1.214 0 CA-C-O 121.003 0.43 . . . . 0.0 111.289 178.337 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -73.19 -4.13 30.99 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.371 -176.223 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.65 -68.06 0.73 Allowed 'General case' 0 N--CA 1.474 0.745 0 CA-C-O 121.454 0.645 . . . . 0.0 110.013 177.342 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.409 ' O ' ' HB3' ' B' ' 36' ' ' LEU . 74.1 mm-40 -56.12 -38.41 70.74 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.008 -0.996 . . . . 0.0 110.176 -179.688 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.4 ' C ' ' CD1' ' B' ' 33' ' ' LEU . 2.4 tm? -59.76 -45.29 92.71 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.31 -174.507 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 49.3 mttp -63.7 -43.89 95.28 Favored 'General case' 0 C--N 1.318 -0.774 0 C-N-CA 119.59 -0.844 . . . . 0.0 109.591 -178.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -65.53 -46.07 81.02 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.256 -0.884 . . . . 0.0 109.123 179.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.409 ' HB3' ' O ' ' B' ' 32' ' ' GLU . 2.6 tp -61.73 -49.58 75.88 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 115.34 -0.846 . . . . 0.0 111.667 176.824 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -63.12 -46.22 88.31 Favored 'General case' 0 C--N 1.317 -0.824 0 C-N-CA 120.808 -0.357 . . . . 0.0 111.384 -176.385 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -66.3 -40.9 90.3 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 119.768 -0.773 . . . . 0.0 110.505 177.406 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 72.4 m -64.43 -54.6 30.09 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.699 -0.682 . . . . 0.0 112.673 -177.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -70.64 -43.18 69.75 Favored 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 112.478 0.547 . . . . 0.0 112.478 -176.208 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 9.4 mp -102.01 35.0 2.49 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.488 -178.108 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.56 -37.85 71.12 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.926 -177.422 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.07 -46.56 64.95 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.676 -0.969 . . . . 0.0 110.676 176.312 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.632 ' HA ' ' SD ' ' B' ' 85' ' ' MET . 51.4 m-85 -63.57 -45.53 90.04 Favored 'General case' 0 CA--C 1.509 -0.615 0 CA-C-O 121.249 0.547 . . . . 0.0 110.161 177.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.5 tp -61.59 -49.28 77.26 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.912 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -64.17 -43.26 95.66 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.373 -178.118 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.59 -46.62 89.08 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.072 -175.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.27 38.19 2.63 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 -174.607 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 30.0 mtmt -63.01 -39.31 94.38 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 175.297 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -82.35 -1.78 50.82 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 113.925 -1.488 . . . . 0.0 110.712 -169.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 16.8 t -90.65 133.05 33.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.76 -0.654 . . . . 0.0 109.716 179.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.534 ' CG ' ' HZ1' ' B' ' 56' ' ' LYS . 32.0 t70 -57.04 -38.02 72.59 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 121.0 0.429 . . . . 0.0 111.089 -177.249 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . 0.4 ' O ' ' N ' ' B' ' 57' ' ' VAL . . . -53.34 -26.33 18.6 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.717 -179.217 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.515 ' O ' ' HG2' ' B' ' 58' ' ' MET . 0.8 OUTLIER -58.76 -45.28 91.3 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 C-N-CA 120.224 -0.59 . . . . 0.0 109.752 179.256 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.461 ' O ' ' N ' ' B' ' 59' ' ' LYS . 34.2 t70 -61.19 -46.46 90.4 Favored 'General case' 0 CA--C 1.489 -1.381 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 174.337 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . 0.534 ' HZ1' ' CG ' ' B' ' 52' ' ' ASP . 34.6 mmtm -61.41 -39.7 91.72 Favored 'General case' 0 N--CA 1.435 -1.195 0 CA-C-N 114.848 -1.069 . . . . 0.0 109.226 -175.398 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . 0.521 ' CG1' HD11 ' B' ' 77' ' ' LEU . 72.3 t -61.06 -48.72 87.77 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.739 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.01 178.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' MET . . . . . 0.544 ' O ' ' N ' ' B' ' 62' ' ' ASP . 9.3 ptm -68.12 -37.36 81.02 Favored 'General case' 0 CA--C 1.518 -0.273 0 C-N-CA 120.192 -0.603 . . . . 0.0 109.944 175.462 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' B' ' 55' ' ' ASP . 3.2 tptm -59.89 -42.88 94.78 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.545 -178.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 74.2 tt0 -61.6 -41.28 97.22 Favored 'General case' 0 C--O 1.241 0.609 0 N-CA-C 108.852 -0.795 . . . . 0.0 108.852 176.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.469 ' O ' ' HB3' ' B' ' 64' ' ' ASN . 2.1 mm? -65.91 -33.37 75.67 Favored 'General case' 0 C--O 1.242 0.701 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.585 172.699 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.544 ' N ' ' O ' ' B' ' 58' ' ' MET . 34.1 t70 -61.67 -38.99 89.84 Favored 'General case' 0 CA--C 1.513 -0.474 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.693 178.144 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -62.59 -42.84 99.8 Favored 'General case' 0 CA--C 1.505 -0.766 0 N-CA-C 107.124 -1.436 . . . . 0.0 107.124 174.052 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.497 ' C ' ' H ' ' B' ' 66' ' ' ASP . 24.6 t-20 -62.43 -7.1 3.95 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 114.103 -1.408 . . . . 0.0 110.114 174.77 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -69.48 9.16 2.6 Favored Glycine 0 CA--C 1.522 0.498 0 N-CA-C 110.206 -1.158 . . . . 0.0 110.206 174.357 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.497 ' H ' ' C ' ' B' ' 64' ' ' ASN . 29.3 t70 -59.4 -40.98 88.34 Favored 'General case' 0 CA--C 1.513 -0.455 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 177.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -147.93 -82.11 0.04 OUTLIER Glycine 0 C--N 1.32 -0.319 0 N-CA-C 110.207 -1.157 . . . . 0.0 110.207 179.038 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -138.17 173.71 11.33 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 123.094 0.558 . . . . 0.0 109.986 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' B' ' 28' ' ' LEU . 0.5 OUTLIER -106.8 124.79 62.67 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.794 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 173.099 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.598 ' CG ' ' N ' ' B' ' 71' ' ' PHE . 0.0 OUTLIER -93.36 178.75 5.62 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.208 -178.801 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.598 ' N ' ' CG ' ' B' ' 70' ' ' ASP . 65.2 t80 -60.53 -45.45 93.8 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.708 -0.397 . . . . 0.0 111.025 -176.693 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . 0.471 HE21 ' HB3' ' A' ' 80' ' ' ALA . 80.5 mt-30 -60.42 -40.87 92.56 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 177.822 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.434 ' OE1' ' HA ' ' B' ' 69' ' ' VAL . 94.3 mt-10 -68.13 -38.96 82.78 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 114.742 -1.117 . . . . 0.0 110.034 178.19 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . 0.466 ' N ' ' O ' ' B' ' 70' ' ' ASP . 25.7 t80 -61.83 -45.96 91.57 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.79 -0.641 . . . . 0.0 112.066 177.347 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . 0.42 HG21 ' N ' ' B' ' 76' ' ' VAL . 25.6 m -64.48 -40.2 88.22 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 C-N-CA 120.146 -0.622 . . . . 0.0 111.694 -176.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . 0.472 ' O ' ' N ' ' B' ' 80' ' ' ALA . 34.7 m -64.44 -38.15 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.787 0 C-N-CA 120.124 -0.63 . . . . 0.0 111.127 179.694 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . 0.521 HD11 ' CG1' ' B' ' 57' ' ' VAL . 49.1 tp -60.96 -48.93 79.55 Favored 'General case' 0 CA--C 1.511 -0.528 0 C-N-CA 120.378 -0.529 . . . . 0.0 110.661 179.359 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 32.7 m -68.9 -41.63 82.11 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.956 0 C-N-CA 119.938 -0.705 . . . . 0.0 110.607 178.151 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . 0.443 ' CB ' HG21 ' A' ' 75' ' ' VAL . . . -61.96 -39.22 91.41 Favored 'General case' 0 CA--C 1.503 -0.832 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.014 176.617 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . 0.479 ' HB3' ' NE2' ' A' ' 72' ' ' GLN . . . -56.31 -49.24 74.87 Favored 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.264 -177.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 85.7 mt -62.95 -41.98 99.67 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-O 121.404 0.621 . . . . 0.0 109.347 174.252 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.44 ' O ' ' N ' ' B' ' 86' ' ' ASN . 8.2 m -62.15 -50.71 70.76 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.525 -177.45 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 12.0 p -63.03 -43.59 99.13 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.47 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -58.4 -50.88 72.09 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.159 177.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 85' ' ' MET . . . . . 0.632 ' SD ' ' HA ' ' B' ' 44' ' ' PHE . 27.1 ttt -68.77 -39.94 79.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.769 178.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . 0.482 ' O ' ' HB2' ' B' ' 89' ' ' PHE . 5.6 m120 -56.52 -31.11 63.8 Favored 'General case' 0 CA--C 1.501 -0.94 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.541 -177.567 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -61.09 -41.18 96.19 Favored 'General case' 0 C--N 1.306 -1.319 0 C-N-CA 119.699 -0.801 . . . . 0.0 108.965 176.427 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -70.72 -42.17 70.94 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.948 175.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . 0.482 ' HB2' ' O ' ' B' ' 86' ' ' ASN . 1.3 m-85 -27.45 -59.44 0.1 Allowed 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 123.645 0.778 . . . . 0.0 112.874 -175.017 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . 0.476 ' CD1' ' CE1' ' A' ' 26' ' ' TYR . 1.8 m95 -83.07 -55.05 4.59 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.814 -171.408 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -70.88 -43.67 67.89 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.174 -0.921 . . . . 0.0 112.666 -173.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 -132.17 99.21 4.63 Favored 'General case' 0 CA--C 1.505 -0.777 0 CA-C-O 120.879 0.371 . . . . 0.0 110.152 -176.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 2.6 m . . . . . 0 C--N 1.314 -0.974 0 CA-C-O 118.158 -0.925 . . . . 0.0 109.693 -178.419 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.243 0.68 0 N-CA-C 110.621 -0.992 . . . . 0.0 110.621 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.403 ' C ' ' N ' ' A' ' 4' ' ' LEU . 4.7 m -68.61 170.13 9.81 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 175.62 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 7' ' ' ALA . 56.0 mp0 -53.7 -23.82 12.71 Favored 'General case' 0 C--N 1.315 -0.925 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 175.741 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.426 ' O ' ' HG2' ' A' ' 8' ' ' MET . 2.3 tp -59.89 -46.68 88.55 Favored 'General case' 0 N--CA 1.435 -1.181 0 CA-C-N 114.407 -1.269 . . . . 0.0 110.252 -178.696 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -67.76 -45.06 76.01 Favored 'General case' 0 CA--C 1.515 -0.368 0 C-N-CA 119.467 -0.893 . . . . 0.0 109.801 177.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.7 m -64.24 -44.64 91.22 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.618 -179.4 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.413 ' N ' ' O ' ' A' ' 3' ' ' GLU . . . -57.36 -42.71 82.59 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-O 120.907 0.384 . . . . 0.0 110.085 -178.68 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.426 ' HG2' ' O ' ' A' ' 4' ' ' LEU . 97.8 mmm -63.12 -42.45 99.53 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.296 -0.562 . . . . 0.0 110.042 178.619 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.43 ' CD ' HD21 ' B' ' 86' ' ' ASN . 61.5 mm-40 -63.54 -37.27 86.68 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-O 121.192 0.52 . . . . 0.0 110.041 174.312 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.3 m -59.68 -44.21 93.72 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 175.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 50.2 mt -63.52 -39.43 94.41 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.838 175.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.544 ' O ' ' N ' ' A' ' 16' ' ' HIS . 20.5 mm -62.02 -43.45 97.65 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.757 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 177.724 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 -59.79 -40.84 89.64 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 120.545 -0.462 . . . . 0.0 110.736 -177.159 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 97.1 t -62.61 -47.32 93.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 174.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.458 ' CE2' ' HB2' ' A' ' 28' ' ' LEU . 48.3 t80 -60.44 -46.85 88.54 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.641 0.734 . . . . 0.0 110.17 177.109 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.597 ' HA ' ' CH2' ' B' ' 90' ' ' TRP . 1.3 t-80 -58.79 -41.8 87.57 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.026 -0.988 . . . . 0.0 110.505 -176.711 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.09 -49.3 77.42 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.666 179.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.473 ' ND1' ' HB3' ' A' ' 32' ' ' GLU . 93.4 m-70 -66.88 -39.47 87.52 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 112.265 0.469 . . . . 0.0 112.265 -177.512 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 48.8 m -55.59 -41.21 73.05 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 120.062 -0.655 . . . . 0.0 109.591 177.536 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.37 -39.21 97.47 Favored Glycine 0 N--CA 1.453 -0.222 0 N-CA-C 110.443 -1.063 . . . . 0.0 110.443 176.361 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -65.29 -46.37 80.66 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 121.04 -0.264 . . . . 0.0 110.438 179.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.477 ' CD ' ' H ' ' A' ' 29' ' ' SER . 98.8 mt-10 -70.13 -38.79 75.63 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.53 179.696 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 117.54 -9.66 14.72 Favored Glycine 0 N--CA 1.464 0.52 0 C-N-CA 121.371 -0.442 . . . . 0.0 113.436 172.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -70.7 155.3 40.93 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 117.71 0.755 . . . . 0.0 110.365 178.415 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.445 ' NZ ' ' OH ' ' A' ' 26' ' ' TYR . 6.6 mtmt -61.25 -45.6 93.86 Favored 'General case' 0 CA--C 1.487 -1.455 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 178.605 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.468 ' HB3' ' CE3' ' B' ' 90' ' ' TRP . 0.1 OUTLIER -159.38 94.53 1.18 Allowed 'General case' 0 N--CA 1.432 -1.328 0 CA-C-N 114.876 -1.057 . . . . 0.0 110.624 173.005 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.478 ' HE2' ' HB2' ' A' ' 68' ' ' GLU . 1.9 mmtm -160.39 158.22 29.17 Favored 'General case' 0 C--N 1.314 -0.946 0 C-N-CA 124.299 1.039 . . . . 0.0 108.53 173.269 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.458 ' HB2' ' CE2' ' A' ' 15' ' ' PHE . 52.7 tp -124.78 134.31 52.83 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 173.328 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.477 ' H ' ' CD ' ' A' ' 22' ' ' GLU . 4.2 m -105.2 172.87 6.56 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 -179.686 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.484 ' NZ ' ' O ' ' A' ' 61' ' ' LEU . 1.0 OUTLIER -78.47 -5.11 51.59 Favored 'General case' 0 C--N 1.31 -1.114 0 C-N-CA 119.898 -0.721 . . . . 0.0 111.669 -175.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.416 ' HG3' ' HB2' ' A' ' 29' ' ' SER . 0.1 OUTLIER -65.75 -66.37 0.56 Allowed 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 175.452 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.473 ' HB3' ' ND1' ' A' ' 18' ' ' HIS . 72.8 mm-40 -67.47 -42.69 82.59 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 114.9 -1.045 . . . . 0.0 110.781 179.559 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -60.63 -45.33 94.45 Favored 'General case' 0 CA--C 1.51 -0.574 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.926 -172.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 40.5 mtpt -62.67 -40.18 96.27 Favored 'General case' 0 N--CA 1.441 -0.925 0 C-N-CA 119.854 -0.738 . . . . 0.0 110.136 179.087 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 72.9 mt-10 -68.39 -50.83 50.21 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-O 121.038 0.447 . . . . 0.0 110.541 174.585 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.434 HD13 ' CG ' ' A' ' 40' ' ' GLU . 0.1 OUTLIER -62.97 -44.91 94.75 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 -175.422 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.4 ' N ' ' HG ' ' A' ' 36' ' ' LEU . 3.1 tm? -61.27 -48.02 83.35 Favored 'General case' 0 C--N 1.315 -0.916 0 C-N-CA 119.362 -0.935 . . . . 0.0 110.576 -176.507 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -66.88 -42.8 84.96 Favored 'General case' 0 C--O 1.244 0.773 0 CA-C-O 121.408 0.623 . . . . 0.0 110.605 176.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 94.6 m -64.95 -47.9 75.98 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.58 -0.736 . . . . 0.0 112.514 -179.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.516 ' CD ' ' HG ' ' B' ' 2' ' ' SER . 59.0 mm-40 -79.88 -37.59 34.47 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -175.161 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.3 mp -101.14 31.88 3.47 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-O 120.931 0.396 . . . . 0.0 110.557 -179.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.3 m -51.58 -38.98 56.97 Favored 'General case' 0 C--N 1.308 -1.199 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.509 -177.192 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.32 -49.21 53.68 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 111.677 -0.569 . . . . 0.0 111.677 178.012 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.46 ' CE2' HG23 ' A' ' 82' ' ' THR . 3.6 m-85 -65.18 -42.33 93.73 Favored 'General case' 0 CA--C 1.493 -1.246 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 177.722 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.429 ' O ' ' HB2' ' A' ' 49' ' ' LYS . 40.6 tp -59.04 -47.25 85.92 Favored 'General case' 0 N--CA 1.43 -1.428 0 CA-C-N 114.965 -1.016 . . . . 0.0 110.82 178.003 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -64.81 -42.68 94.8 Favored 'General case' 0 C--N 1.316 -0.851 0 C-N-CA 120.438 -0.505 . . . . 0.0 111.493 174.392 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.57 ' HB1' ' SD ' ' A' ' 85' ' ' MET . . . -58.67 -48.91 79.45 Favored 'General case' 0 C--O 1.239 0.54 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.509 -176.721 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.444 ' HG3' ' O ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -107.02 15.95 24.73 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -178.2 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.429 ' HB2' ' O ' ' A' ' 45' ' ' LEU . 43.8 tttp -55.7 -41.88 74.45 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 179.396 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -60.71 -25.04 66.13 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 114.479 -1.237 . . . . 0.0 111.573 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.47 ' C ' ' H ' ' A' ' 53' ' ' ALA . 51.6 t -64.97 -22.43 31.4 Favored 'Isoleucine or valine' 0 C--O 1.24 0.567 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 -178.163 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.523 ' CG ' ' HZ3' ' A' ' 56' ' ' LYS . 2.8 t70 64.67 -43.0 0.3 Allowed 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.689 -179.259 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.519 ' O ' ' N ' ' A' ' 57' ' ' VAL . . . -52.06 -26.69 11.58 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 179.77 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.406 ' HB ' ' CD2' ' A' ' 81' ' ' LEU . 27.1 m -60.91 -44.83 98.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 115.311 -0.858 . . . . 0.0 110.984 177.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -60.04 -45.84 91.49 Favored 'General case' 0 CA--C 1.5 -0.976 0 CA-C-O 122.203 1.001 . . . . 0.0 108.695 174.416 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.523 ' HZ3' ' CG ' ' A' ' 52' ' ' ASP . 43.7 mttp -63.16 -35.08 79.11 Favored 'General case' 0 C--N 1.294 -1.82 0 CA-C-N 113.862 -1.517 . . . . 0.0 110.858 179.424 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.519 ' N ' ' O ' ' A' ' 53' ' ' ALA . 92.9 t -62.58 -45.61 98.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 172.666 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.479 ' O ' ' N ' ' A' ' 62' ' ' ASP . 57.8 mtt -61.14 -41.39 96.65 Favored 'General case' 0 CA--C 1.498 -1.023 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 177.538 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.0 tptp -62.82 -39.73 95.22 Favored 'General case' 0 C--N 1.302 -1.465 0 CA-C-N 113.683 -1.599 . . . . 0.0 109.161 179.438 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' A' ' 56' ' ' LYS . 38.2 tp10 -59.64 -45.87 90.7 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 176.312 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.484 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . 2.3 mm? -64.03 -38.67 91.92 Favored 'General case' 0 C--O 1.245 0.842 0 CA-C-N 115.362 -0.836 . . . . 0.0 110.173 173.083 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' A' ' 58' ' ' MET . 22.2 t70 -60.49 -34.94 74.78 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.056 -176.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.449 ' C ' ' H ' ' A' ' 65' ' ' GLY . 97.8 mt-10 -53.27 -45.29 68.81 Favored 'General case' 0 CA--C 1.506 -0.74 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 178.322 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.432 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . 16.0 t-20 -79.8 37.33 0.35 Allowed 'General case' 0 C--N 1.311 -1.07 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.45 176.03 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.47 ' HA2' ' CG ' ' A' ' 30' ' ' LYS . . . -93.37 -7.47 61.99 Favored Glycine 0 CA--C 1.51 -0.272 0 N-CA-C 108.979 -1.649 . . . . 0.0 108.979 177.547 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -62.77 -42.1 99.53 Favored 'General case' 0 CA--C 1.503 -0.832 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 172.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -114.62 -155.82 11.26 Favored Glycine 0 N--CA 1.437 -1.29 0 CA-C-N 114.465 -1.243 . . . . 0.0 110.362 178.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.478 ' HB2' ' HE2' ' A' ' 27' ' ' LYS . 1.1 mp0 -90.65 171.06 9.64 Favored 'General case' 0 C--N 1.308 -1.234 0 C-N-CA 122.397 0.279 . . . . 0.0 110.918 -178.737 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.2 p -120.25 128.63 75.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 172.249 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -96.6 -176.94 3.76 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-O 121.131 0.491 . . . . 0.0 110.965 -175.708 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.441 ' CD2' HD13 ' A' ' 12' ' ' ILE . 42.2 t80 -61.22 -43.77 98.35 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.414 179.388 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.408 ' O ' HG21 ' A' ' 75' ' ' VAL . 78.5 mt-30 -59.03 -42.32 89.91 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.321 179.617 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 90.6 mt-10 -69.07 -41.15 77.93 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 119.443 -0.903 . . . . 0.0 110.653 171.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 47.1 t80 -60.41 -48.49 81.54 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.52 -176.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.408 HG21 ' O ' ' A' ' 72' ' ' GLN . 16.9 m -63.39 -43.99 98.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 C-N-CA 120.453 -0.499 . . . . 0.0 112.139 -179.188 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 14.6 p -65.89 -37.5 80.01 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 C-N-CA 120.172 -0.611 . . . . 0.0 110.41 178.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 47.5 tp -60.29 -48.81 80.15 Favored 'General case' 0 CA--C 1.505 -0.763 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.583 179.02 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.546 ' CG2' ' SD ' ' B' ' 8' ' ' MET . 29.9 m -69.54 -40.57 79.79 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.962 0 C-N-CA 119.944 -0.702 . . . . 0.0 110.78 176.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.408 ' CB ' HG21 ' B' ' 75' ' ' VAL . . . -63.34 -42.46 98.93 Favored 'General case' 0 CA--C 1.507 -0.676 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.949 179.209 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.05 -48.57 79.72 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.493 0.663 . . . . 0.0 109.313 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.406 ' CD2' ' HB ' ' A' ' 54' ' ' VAL . 92.3 mt -63.58 -43.61 96.48 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-N 115.014 -0.994 . . . . 0.0 109.557 177.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.46 HG23 ' CE2' ' A' ' 44' ' ' PHE . 22.3 m -64.19 -49.11 73.32 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 112.886 0.699 . . . . 0.0 112.886 178.652 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 12.8 p -61.57 -42.43 94.02 Favored 'Isoleucine or valine' 0 C--O 1.24 0.583 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.742 -174.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -54.79 -52.03 63.9 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.333 178.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.57 ' SD ' ' HB1' ' A' ' 47' ' ' ALA . 15.3 tpt -68.91 -42.39 76.91 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.605 177.687 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.508 ' CG ' HG23 ' B' ' 12' ' ' ILE . 0.6 OUTLIER -61.71 -32.36 72.57 Favored 'General case' 0 CA--C 1.507 -0.687 0 C-N-CA 119.815 -0.754 . . . . 0.0 111.68 -174.247 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -56.02 -40.62 73.69 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 175.188 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.425 ' HB3' ' O ' ' A' ' 85' ' ' MET . 92.2 t80 -60.0 -45.61 92.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.061 172.591 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 18.7 m-30 -59.22 -43.66 92.31 Favored 'General case' 0 CA--C 1.513 -0.449 0 C-N-CA 120.791 -0.363 . . . . 0.0 110.354 178.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.607 ' CD1' ' N ' ' A' ' 90' ' ' TRP . 9.1 m0 -67.56 -42.44 82.63 Favored 'General case' 0 C--N 1.317 -0.825 0 C-N-CA 120.121 -0.632 . . . . 0.0 109.669 -179.402 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.507 ' CD ' ' HH ' ' B' ' 26' ' ' TYR . 84.7 mt-10 -71.99 -45.37 61.21 Favored 'General case' 0 C--N 1.318 -0.804 0 C-N-CA 120.261 -0.575 . . . . 0.0 111.283 178.49 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' A' ' 88' ' ' PHE . 27.5 t-20 -89.92 99.27 12.31 Favored 'General case' 0 CA--C 1.503 -0.843 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 176.168 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.204 -1.31 0 CA-C-O 117.677 -1.154 . . . . 0.0 109.216 -177.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.453 0 N-CA-C 111.31 -0.716 . . . . 0.0 111.31 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' SER . . . . . 0.516 ' HG ' ' CD ' ' A' ' 40' ' ' GLU . 75.1 m -75.18 175.31 8.4 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -176.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -54.03 -17.73 2.91 Favored 'General case' 0 CA--C 1.516 -0.342 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 174.02 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.422 ' N ' ' C ' ' B' ' 2' ' ' SER . 0.2 OUTLIER -59.05 -42.71 90.93 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 114.385 -1.279 . . . . 0.0 108.113 179.525 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -65.67 -44.39 86.4 Favored 'General case' 0 N--CA 1.442 -0.839 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.891 176.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 7.3 m -61.83 -46.0 91.36 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 121.243 0.544 . . . . 0.0 109.599 178.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.75 -45.78 91.16 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.541 176.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' MET . . . . . 0.546 ' SD ' ' CG2' ' A' ' 78' ' ' VAL . 0.0 OUTLIER -62.2 -43.24 99.28 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 177.812 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . 0.446 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 5.5 mm-40 -61.01 -38.95 87.88 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.782 177.036 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 9.8 m -59.66 -44.47 93.55 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 178.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.92 -41.45 97.94 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 173.758 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.508 HG23 ' CG ' ' A' ' 86' ' ' ASN . 18.5 mm -62.47 -43.67 98.54 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.432 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.156 179.587 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 40.0 m-80 -58.62 -44.12 89.88 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.534 -173.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 94.7 t -64.05 -47.94 88.09 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 C-N-CA 120.054 -0.659 . . . . 0.0 110.324 176.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -59.92 -47.91 83.84 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 177.344 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.434 ' N ' ' O ' ' B' ' 12' ' ' ILE . 1.7 t60 -61.04 -46.41 90.8 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.962 -178.579 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.98 -48.3 78.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.944 0.402 . . . . 0.0 110.341 178.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 75.0 m-70 -71.73 -29.3 64.38 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.203 -0.453 . . . . 0.0 112.052 179.497 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.461 ' HA ' ' O ' ' B' ' 27' ' ' LYS . 52.1 m -52.8 -46.22 67.57 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 -174.08 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.08 -16.28 59.62 Favored Glycine 0 CA--C 1.526 0.761 0 C-N-CA 121.007 -0.616 . . . . 0.0 112.095 -177.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -64.11 -40.04 95.36 Favored 'General case' 0 C--O 1.242 0.706 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 -172.477 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.497 ' HB3' ' HG ' ' B' ' 29' ' ' SER . 0.0 OUTLIER -85.63 -69.79 0.64 Allowed 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 113.928 1.085 . . . . 0.0 113.928 -171.682 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . 0.473 ' H ' ' HG3' ' B' ' 22' ' ' GLU . . . -169.35 -52.65 0.03 OUTLIER Glycine 0 CA--C 1.526 0.731 0 N-CA-C 112.09 -0.404 . . . . 0.0 112.09 -177.513 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -71.8 145.82 48.44 Favored 'General case' 0 CA--C 1.506 -0.728 0 O-C-N 122.387 -0.478 . . . . 0.0 109.956 179.18 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.641 ' NZ ' ' OH ' ' B' ' 26' ' ' TYR . 14.8 mtmm -61.83 -40.71 96.25 Favored 'General case' 0 CA--C 1.489 -1.401 0 C-N-CA 119.587 -0.845 . . . . 0.0 108.88 179.057 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.641 ' OH ' ' NZ ' ' B' ' 25' ' ' LYS . 0.0 OUTLIER -125.22 90.32 3.21 Favored 'General case' 0 N--CA 1.429 -1.494 0 C-N-CA 119.111 -1.035 . . . . 0.0 110.769 179.283 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.461 ' O ' ' HA ' ' B' ' 19' ' ' SER . 5.5 mmtp -165.55 159.06 16.3 Favored 'General case' 0 CA--C 1.491 -1.29 0 CA-C-N 114.274 -1.33 . . . . 0.0 108.685 168.658 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.568 ' O ' ' N ' ' B' ' 69' ' ' VAL . 40.9 tp -124.56 128.07 48.37 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 107.574 -1.269 . . . . 0.0 107.574 169.668 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.497 ' HG ' ' HB3' ' B' ' 22' ' ' GLU . 0.3 OUTLIER -85.14 159.08 20.22 Favored 'General case' 0 C--N 1.31 -1.121 0 C-N-CA 119.859 -0.736 . . . . 0.0 109.761 -179.734 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.589 ' HG3' ' CA ' ' B' ' 65' ' ' GLY . 31.5 mmtm -74.39 -8.87 57.73 Favored 'General case' 0 CA--C 1.508 -0.672 0 C-N-CA 119.02 -1.072 . . . . 0.0 111.061 -177.643 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 3.4 ptpt -69.05 -47.02 66.41 Favored 'General case' 0 N--CA 1.442 -0.862 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 175.026 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.472 ' O ' ' HB3' ' B' ' 36' ' ' LEU . 69.5 mm-40 -71.33 -37.49 71.72 Favored 'General case' 0 N--CA 1.439 -1.004 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.495 172.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.419 ' CB ' ' HA ' ' B' ' 30' ' ' LYS . 3.1 tm? -58.27 -47.5 83.4 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.987 -172.633 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -64.39 -43.22 95.13 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 118.882 -1.127 . . . . 0.0 110.699 177.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -61.36 -48.63 80.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.409 0.624 . . . . 0.0 109.674 178.161 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.472 ' HB3' ' O ' ' B' ' 32' ' ' GLU . 1.7 tp -62.9 -52.39 63.25 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-N 115.307 -0.86 . . . . 0.0 112.042 177.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.406 HD21 ' HB2' ' B' ' 41' ' ' LEU . 2.6 tm? -63.33 -45.01 93.27 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.375 -175.521 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -65.88 -38.01 87.66 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.169 0.509 . . . . 0.0 110.319 178.261 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 52.2 m -73.11 -61.0 1.97 Allowed 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.311 -0.859 . . . . 0.0 112.364 -175.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -69.97 -42.11 73.56 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.176 0.436 . . . . 0.0 112.176 -172.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.406 ' HB2' HD21 ' B' ' 37' ' ' LEU . 4.1 mp -99.24 32.88 2.58 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.312 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.61 -35.0 67.77 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.589 -178.628 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -64.13 -50.36 60.84 Favored Glycine 0 N--CA 1.446 -0.652 0 N-CA-C 110.408 -1.077 . . . . 0.0 110.408 176.569 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.487 ' CE1' ' HA ' ' B' ' 82' ' ' THR . 46.1 m-85 -62.65 -45.69 91.66 Favored 'General case' 0 CA--C 1.503 -0.837 0 CA-C-O 121.181 0.515 . . . . 0.0 109.762 177.429 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.1 tp -60.5 -48.85 79.95 Favored 'General case' 0 N--CA 1.436 -1.171 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.947 -179.49 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -65.86 -40.68 91.92 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 112.481 0.548 . . . . 0.0 112.481 176.001 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . 0.612 ' CB ' ' SD ' ' B' ' 85' ' ' MET . . . -59.42 -37.09 77.17 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.829 -0.623 . . . . 0.0 112.61 -171.568 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.466 ' NE2' ' O ' ' B' ' 44' ' ' PHE . 0.9 OUTLIER -123.48 37.17 4.47 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 -174.817 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.461 ' HA ' HG13 ' B' ' 54' ' ' VAL . 7.0 mtmp? -62.24 -39.15 91.87 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 107.798 -1.186 . . . . 0.0 107.798 173.651 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -64.38 -23.39 67.27 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 113.919 -1.491 . . . . 0.0 111.151 179.552 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . 0.544 ' C ' ' H ' ' B' ' 53' ' ' ALA . 40.8 t -71.92 -18.4 19.58 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 CA-C-O 120.664 0.269 . . . . 0.0 110.279 -179.689 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 16.1 t70 66.22 -38.34 0.29 Allowed 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.667 -178.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . 0.544 ' H ' ' C ' ' B' ' 51' ' ' VAL . . . -53.54 -26.18 20.06 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.551 -179.318 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.461 HG13 ' HA ' ' B' ' 49' ' ' LYS . 7.6 p -58.23 -43.74 86.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 177.37 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.478 ' O ' ' HB2' ' B' ' 59' ' ' LYS . 9.7 t70 -59.7 -45.17 92.95 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.081 174.108 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . 0.595 ' N ' ' CD ' ' B' ' 56' ' ' LYS . 6.2 mptt -63.56 -42.77 98.34 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.958 -179.651 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . 0.506 HG11 ' CD1' ' B' ' 77' ' ' LEU . 91.7 t -62.06 -45.5 98.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 176.552 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 14.7 mmm -61.05 -41.46 96.64 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 175.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . 0.478 ' HB2' ' O ' ' B' ' 55' ' ' ASP . 0.0 OUTLIER -62.88 -43.18 99.49 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 114.561 -1.2 . . . . 0.0 110.525 -179.665 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -60.34 -41.15 93.0 Favored 'General case' 0 C--N 1.31 -1.128 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 -178.109 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.419 ' O ' ' N ' ' B' ' 65' ' ' GLY . 1.2 mm? -62.78 -34.7 77.8 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.353 176.479 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.403 ' HB2' ' O ' ' B' ' 59' ' ' LYS . 39.3 m-20 -60.97 -34.57 74.97 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.506 178.405 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -57.16 -42.2 80.6 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 -179.412 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.406 ' O ' ' NZ ' ' B' ' 30' ' ' LYS . 42.7 t30 -104.82 20.92 17.87 Favored 'General case' 0 C--N 1.309 -1.193 0 N-CA-C 107.906 -1.146 . . . . 0.0 107.906 175.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.589 ' CA ' ' HG3' ' B' ' 30' ' ' LYS . . . -113.64 30.94 6.89 Favored Glycine 0 N--CA 1.437 -1.241 0 CA-C-N 115.004 -0.998 . . . . 0.0 111.586 -169.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -63.46 -34.38 77.64 Favored 'General case' 0 C--N 1.314 -0.963 0 C-N-CA 119.969 -0.692 . . . . 0.0 109.367 176.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.53 ' O ' ' N ' ' B' ' 30' ' ' LYS . . . -159.27 -58.67 0.01 OUTLIER Glycine 0 C--O 1.223 -0.574 0 C-N-CA 120.226 -0.987 . . . . 0.0 113.425 -178.601 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.512 ' O ' ' NZ ' ' B' ' 30' ' ' LYS . 46.5 mt-10 -95.95 153.78 17.58 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 -171.422 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.568 ' N ' ' O ' ' B' ' 28' ' ' LEU . 2.4 p -144.4 134.16 19.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 168.518 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -98.34 179.85 4.59 Favored 'General case' 0 C--N 1.32 -0.717 0 C-N-CA 120.399 -0.52 . . . . 0.0 110.014 -179.36 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.482 ' CE2' HD12 ' B' ' 12' ' ' ILE . 53.0 t80 -61.85 -44.6 96.49 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.327 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -60.16 -46.16 90.63 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.06 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.406 ' O ' HG11 ' B' ' 76' ' ' VAL . 42.0 tt0 -66.85 -40.18 87.84 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-O 121.669 0.747 . . . . 0.0 109.952 175.105 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -60.08 -47.8 84.35 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.524 179.309 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . 0.499 HG22 ' N ' ' B' ' 76' ' ' VAL . 14.0 m -63.39 -42.32 95.9 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 C-N-CA 119.852 -0.739 . . . . 0.0 111.514 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . 0.499 ' N ' HG22 ' B' ' 75' ' ' VAL . 2.4 p -63.44 -40.89 90.72 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.506 0 C-N-CA 120.353 -0.539 . . . . 0.0 110.818 -178.058 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . 0.506 ' CD1' HG11 ' B' ' 57' ' ' VAL . 44.9 tp -61.06 -50.32 73.79 Favored 'General case' 0 CA--C 1.511 -0.523 0 C-N-CA 120.806 -0.358 . . . . 0.0 111.286 178.81 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 18.4 m -66.68 -42.14 89.16 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.072 0 C-N-CA 119.899 -0.721 . . . . 0.0 110.14 178.361 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.04 -42.45 99.75 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.249 178.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' B' ' 76' ' ' VAL . . . -56.35 -49.12 75.3 Favored 'General case' 0 CA--C 1.513 -0.46 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 -179.424 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 94.4 mt -63.7 -41.75 98.08 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.796 175.332 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.487 ' HA ' ' CE1' ' B' ' 44' ' ' PHE . 21.0 m -61.5 -50.11 74.04 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.077 -178.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 13.4 p -61.13 -43.75 96.93 Favored 'Isoleucine or valine' 0 C--O 1.237 0.43 0 C-N-CA 120.824 -0.351 . . . . 0.0 111.081 -177.167 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -58.74 -52.8 64.14 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 120.261 -0.576 . . . . 0.0 110.759 179.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 85' ' ' MET . . . . . 0.612 ' SD ' ' CB ' ' B' ' 47' ' ' ALA . 33.2 ttp -69.41 -40.19 77.47 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 120.207 -0.597 . . . . 0.0 109.808 178.22 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . 0.507 ' OD1' ' NE1' ' B' ' 90' ' ' TRP . 20.6 t-20 -60.33 -39.18 86.16 Favored 'General case' 0 CA--C 1.506 -0.729 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.354 -175.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -44.99 -28.74 0.72 Allowed 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.797 -178.325 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.466 ' O ' ' N ' ' B' ' 92' ' ' ASN . 60.9 m-85 -65.09 -37.92 89.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.651 176.803 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . 0.495 ' N ' ' O ' ' B' ' 86' ' ' ASN . 16.0 m-85 -55.76 -29.17 59.16 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-O 120.91 0.386 . . . . 0.0 111.095 -179.346 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . 0.597 ' CH2' ' HA ' ' A' ' 16' ' ' HIS . 23.7 m95 -71.98 -64.85 0.85 Allowed 'General case' 0 C--N 1.312 -1.032 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -66.01 -38.36 88.26 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 114.538 -1.21 . . . . 0.0 111.684 -178.343 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . 0.466 ' N ' ' O ' ' B' ' 88' ' ' PHE . 64.2 t-20 -80.2 100.23 8.2 Favored 'General case' 0 CA--C 1.506 -0.746 0 N-CA-C 107.286 -1.376 . . . . 0.0 107.286 174.025 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 2.8 m . . . . . 0 C--O 1.202 -1.408 0 CA-C-N 115.171 -0.922 . . . . 0.0 110.696 -170.513 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.503 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.435 ' C ' ' N ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -75.82 -173.57 2.3 Favored 'General case' 0 C--O 1.242 0.691 0 CA-C-O 121.071 0.462 . . . . 0.0 111.061 -178.752 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.476 ' H ' ' CD ' ' A' ' 3' ' ' GLU . 1.9 mp0 -51.66 -19.01 1.36 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.012 -0.994 . . . . 0.0 108.555 173.753 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.435 ' N ' ' C ' ' A' ' 2' ' ' SER . 0.1 OUTLIER -58.19 -49.41 77.14 Favored 'General case' 0 N--CA 1.442 -0.857 0 CA-C-N 114.959 -1.018 . . . . 0.0 109.289 -175.889 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -67.03 -44.48 80.14 Favored 'General case' 0 N--CA 1.44 -0.948 0 C-N-CA 120.334 -0.546 . . . . 0.0 110.228 -179.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.43 ' O ' ' N ' ' A' ' 10' ' ' THR . 12.1 m -61.39 -44.88 96.39 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.167 -0.469 . . . . 0.0 109.949 177.724 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.91 -47.41 77.5 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 178.08 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.434 ' HG2' ' O ' ' A' ' 4' ' ' LEU . 92.2 mmm -65.32 -41.32 94.12 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.279 -0.568 . . . . 0.0 110.365 178.231 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -64.34 -37.95 89.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.03 0.443 . . . . 0.0 109.979 177.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.43 ' N ' ' O ' ' A' ' 6' ' ' THR . 17.0 m -58.1 -44.34 87.6 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 177.305 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.527 HD13 ' SD ' ' B' ' 8' ' ' MET . 81.9 mt -63.02 -40.67 98.45 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.19 174.29 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.473 HD11 ' CD1' ' A' ' 71' ' ' PHE . 21.7 mm -61.78 -43.88 97.94 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.646 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 178.124 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -59.68 -45.76 91.1 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.722 -176.167 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 82.9 t -65.09 -46.55 90.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.005 0.431 . . . . 0.0 110.186 176.358 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -59.13 -49.51 77.6 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.667 0.746 . . . . 0.0 109.331 177.467 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.461 ' N ' ' O ' ' A' ' 12' ' ' ILE . 2.2 t60 -66.13 -41.99 89.72 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 114.678 -1.146 . . . . 0.0 111.318 -177.756 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.84 -45.96 78.26 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 179.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.435 ' HA ' ' HD3' ' A' ' 21' ' ' LYS . 72.6 m-70 -69.33 -32.92 72.34 Favored 'General case' 0 CA--C 1.513 -0.453 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.297 177.514 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.463 ' HB3' ' O ' ' A' ' 25' ' ' LYS . 23.2 m -51.38 -37.61 49.04 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 174.575 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.39 -34.23 88.77 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.072 -0.811 . . . . 0.0 111.072 176.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.435 ' HD3' ' HA ' ' A' ' 18' ' ' HIS . 1.4 mptp? -61.04 -68.19 0.33 Allowed 'General case' 0 C--O 1.233 0.212 0 CA-C-O 120.772 0.32 . . . . 0.0 110.797 -178.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.49 -46.73 88.78 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.276 -177.364 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 101.69 9.01 44.55 Favored Glycine 0 CA--C 1.533 1.175 0 N-CA-C 115.442 0.937 . . . . 0.0 115.442 169.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -59.13 -51.43 70.03 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-N 119.242 1.521 . . . . 0.0 109.4 177.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.487 ' HE2' ' CZ ' ' A' ' 26' ' ' TYR . 20.5 ptmt 160.21 -141.91 0.0 OUTLIER 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 104.431 -2.433 . . . . 0.0 104.431 -178.619 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.487 ' CZ ' ' HE2' ' A' ' 25' ' ' LYS . 18.2 p90 -76.45 92.54 3.41 Favored 'General case' 0 N--CA 1.442 -0.845 0 C-N-CA 117.416 -1.714 . . . . 0.0 109.472 170.633 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.1 mmmm -156.14 166.62 32.92 Favored 'General case' 0 CA--C 1.495 -1.166 0 N-CA-C 107.544 -1.28 . . . . 0.0 107.544 175.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.418 ' HB3' ' O ' ' A' ' 69' ' ' VAL . 43.7 tp -125.99 125.99 43.59 Favored 'General case' 0 N--CA 1.429 -1.492 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 170.415 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.8 p -90.12 157.61 17.68 Favored 'General case' 0 C--N 1.3 -1.562 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 177.039 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.444 ' HG3' ' HA2' ' A' ' 65' ' ' GLY . 2.0 mmmm -68.6 -6.27 24.73 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 119.225 -0.99 . . . . 0.0 109.159 177.246 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -63.86 -44.26 93.66 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 114.585 -1.188 . . . . 0.0 108.364 177.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -99.49 -25.18 14.53 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 113.839 -1.528 . . . . 0.0 111.076 -173.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -60.67 -43.53 97.56 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.045 -175.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.433 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 72.9 mmtt -62.27 -43.88 97.81 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.347 -0.541 . . . . 0.0 109.892 176.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -60.87 -60.23 4.12 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.242 -0.435 . . . . 0.0 112.006 -179.619 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.1 pp -66.51 -40.34 89.14 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 119.692 -0.803 . . . . 0.0 111.816 -175.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -61.77 -46.99 87.2 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.257 -0.577 . . . . 0.0 110.378 -177.246 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.433 ' HG2' ' O ' ' A' ' 34' ' ' LYS . 17.2 pt20 -67.72 -41.47 83.44 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 119.646 -0.822 . . . . 0.0 110.371 175.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 96.1 m -63.99 -52.84 57.72 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.757 -178.212 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.419 ' CD ' ' HG ' ' B' ' 2' ' ' SER . 69.0 mm-40 -76.22 -41.01 50.68 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.036 -0.529 . . . . 0.0 112.323 -171.064 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.4 mp -94.14 45.3 1.13 Allowed 'General case' 0 C--O 1.242 0.681 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.745 -177.201 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.454 ' CB ' ' H1 ' ' B' ' 1' ' ' GLY . 0.7 OUTLIER -56.24 -37.33 69.6 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.152 -173.832 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.41 -47.33 63.72 Favored Glycine 0 C--O 1.242 0.614 0 N-CA-C 111.65 -0.58 . . . . 0.0 111.65 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.471 ' CD1' ' SD ' ' A' ' 85' ' ' MET . 80.3 m-85 -68.02 -39.15 83.2 Favored 'General case' 0 CA--C 1.501 -0.918 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 177.789 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 50.2 tp -60.64 -44.6 96.19 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.393 176.366 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -59.92 -47.94 83.71 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.511 177.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.48 -38.57 74.39 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.711 179.342 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 81.3 mm-40 -76.03 10.09 2.1 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 -174.095 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 41.2 mttp -64.01 -42.41 97.15 Favored 'General case' 0 C--N 1.313 -1.02 0 N-CA-C 112.508 0.558 . . . . 0.0 112.508 177.177 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -117.73 37.61 3.88 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 -177.104 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.44 ' O ' HG13 ' A' ' 54' ' ' VAL . 74.5 t -115.73 136.07 53.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 -179.161 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -62.19 -37.97 87.33 Favored 'General case' 0 C--O 1.246 0.896 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.426 -175.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.45 -41.11 84.4 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.502 -0.772 . . . . 0.0 112.462 -172.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 58' ' ' MET . 13.0 p -54.93 -42.86 65.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 C-N-CA 120.189 -0.604 . . . . 0.0 110.561 -175.017 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 59' ' ' LYS . 15.4 t70 -58.55 -49.47 77.32 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.954 0.407 . . . . 0.0 110.928 177.508 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 34.5 mmtm -66.36 -43.77 85.07 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.367 -177.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.489 HG11 ' CD1' ' A' ' 77' ' ' LEU . 95.6 t -66.1 -44.56 91.79 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 115.458 -0.792 . . . . 0.0 108.978 178.316 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.448 ' N ' ' O ' ' A' ' 54' ' ' VAL . 53.3 ttp -60.89 -39.12 88.07 Favored 'General case' 0 N--CA 1.431 -1.397 0 CA-C-N 114.61 -1.177 . . . . 0.0 109.615 175.345 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.496 ' O ' ' HG2' ' A' ' 63' ' ' GLU . 0.1 OUTLIER -59.73 -45.15 93.07 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 179.455 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 -61.5 -43.81 98.2 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 123.475 0.484 . . . . 0.0 110.453 -178.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.439 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . 1.3 mm? -62.39 -40.11 95.43 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 175.025 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -61.99 -39.92 93.87 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.468 177.186 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.496 ' HG2' ' O ' ' A' ' 59' ' ' LYS . 73.0 mm-40 -56.16 -40.26 73.61 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 179.231 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -90.92 19.45 5.59 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 114.723 -1.126 . . . . 0.0 110.792 176.54 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.444 ' HA2' ' HG3' ' A' ' 30' ' ' LYS . . . -78.97 -6.09 88.82 Favored Glycine 0 C--O 1.237 0.295 0 N-CA-C 108.548 -1.821 . . . . 0.0 108.548 174.216 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -61.76 -37.7 85.25 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-N 114.704 -0.748 . . . . 0.0 109.048 177.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -133.18 -137.71 3.93 Favored Glycine 0 C--O 1.241 0.535 0 N-CA-C 110.559 -1.016 . . . . 0.0 110.559 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -89.78 171.77 9.39 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 -177.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.462 HG23 ' HB3' ' A' ' 73' ' ' GLU . 0.9 OUTLIER -117.81 126.23 74.67 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 172.44 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.57 -178.08 4.78 Favored 'General case' 0 C--N 1.318 -0.795 0 C-N-CA 120.324 -0.55 . . . . 0.0 110.52 -176.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.473 ' CD1' HD11 ' A' ' 12' ' ' ILE . 44.9 t80 -61.38 -44.76 96.61 Favored 'General case' 0 C--N 1.305 -1.361 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.091 -179.639 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -60.43 -45.09 94.88 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.851 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.462 ' HB3' HG23 ' A' ' 69' ' ' VAL . 61.8 tt0 -65.83 -41.76 91.39 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.476 174.764 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 23.2 t80 -61.43 -48.22 82.17 Favored 'General case' 0 C--O 1.237 0.418 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 178.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 33.4 m -64.38 -39.84 86.96 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 C-N-CA 119.662 -0.815 . . . . 0.0 112.162 -177.494 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.401 ' O ' ' N ' ' A' ' 80' ' ' ALA . 14.4 p -64.38 -35.36 74.01 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.84 0 C-N-CA 119.889 -0.725 . . . . 0.0 110.128 -179.436 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.489 ' CD1' HG11 ' A' ' 57' ' ' VAL . 53.3 tp -60.96 -49.75 76.18 Favored 'General case' 0 CA--C 1.515 -0.398 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.367 178.754 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 14.2 m -70.46 -43.67 77.83 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.668 0 C-N-CA 120.147 -0.621 . . . . 0.0 110.821 177.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.423 ' CB ' ' CG2' ' B' ' 75' ' ' VAL . . . -64.27 -41.96 96.67 Favored 'General case' 0 CA--C 1.511 -0.549 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.565 -179.163 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 76' ' ' VAL . . . -57.89 -48.13 80.77 Favored 'General case' 0 CA--C 1.508 -0.658 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 179.566 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 97.0 mt -62.48 -41.7 98.97 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.371 175.102 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.431 ' HA ' ' CE1' ' A' ' 44' ' ' PHE . 20.6 m -61.3 -52.29 65.34 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.967 179.409 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 12.8 p -64.33 -37.84 81.0 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.468 0 C-N-CA 119.566 -0.853 . . . . 0.0 110.412 178.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -56.18 -57.94 10.05 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.156 177.579 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.471 ' SD ' ' CD1' ' A' ' 44' ' ' PHE . 80.1 mtp -66.9 -42.94 84.61 Favored 'General case' 0 CA--C 1.515 -0.374 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 176.51 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.472 ' O ' ' N ' ' A' ' 89' ' ' PHE . 7.3 m120 -62.09 -37.12 83.86 Favored 'General case' 0 CA--C 1.501 -0.931 0 C-N-CA 120.744 -0.382 . . . . 0.0 111.061 -176.784 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -49.24 -37.11 22.16 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 120.9 0.381 . . . . 0.0 110.044 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.411 ' O ' ' N ' ' A' ' 92' ' ' ASN . 80.0 m-85 -61.96 -33.42 74.27 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.313 176.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.472 ' N ' ' O ' ' A' ' 86' ' ' ASN . 2.1 m-30 -59.64 -43.62 93.79 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 -176.519 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.594 ' CE3' ' CE1' ' B' ' 16' ' ' HIS . 5.5 m95 -64.56 -47.14 79.85 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 178.014 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -69.8 -46.87 64.78 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 114.907 -1.042 . . . . 0.0 111.112 -175.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.411 ' N ' ' O ' ' A' ' 88' ' ' PHE . 45.6 t30 -87.57 99.84 12.34 Favored 'General case' 0 CA--C 1.497 -1.073 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 175.215 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 C--O 1.205 -1.269 0 CA-C-O 118.089 -0.958 . . . . 0.0 109.965 -174.727 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . 0.454 ' H1 ' ' CB ' ' A' ' 42' ' ' SER . . . . . . . . 0 C--O 1.237 0.314 0 N-CA-C 110.571 -1.012 . . . . 0.0 110.571 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' SER . . . . . 0.419 ' HG ' ' CD ' ' A' ' 40' ' ' GLU . 9.4 m -77.38 173.48 11.89 Favored 'General case' 0 C--O 1.244 0.807 0 CA-C-O 121.207 0.527 . . . . 0.0 111.679 -178.786 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.539 ' H ' ' CD ' ' B' ' 3' ' ' GLU . 1.9 mp0 -53.65 -17.5 2.25 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.905 178.429 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.432 ' O ' ' HG2' ' B' ' 8' ' ' MET . 44.9 mt -60.16 -40.93 91.63 Favored 'General case' 0 CA--C 1.504 -0.823 0 N-CA-C 108.976 -0.749 . . . . 0.0 108.976 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -60.02 -42.54 94.55 Favored 'General case' 0 N--CA 1.442 -0.851 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 177.206 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 8.5 m -63.39 -45.12 92.54 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.743 174.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.05 -45.97 82.8 Favored 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 177.129 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' MET . . . . . 0.527 ' SD ' HD13 ' A' ' 11' ' ' LEU . 92.0 mmm -64.25 -41.98 96.71 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.803 177.487 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' B' ' 13' ' ' ASN . 71.4 mt-10 -63.34 -38.61 91.81 Favored 'General case' 0 C--O 1.222 -0.391 0 C-N-CA 120.073 -0.651 . . . . 0.0 109.267 175.668 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' THR . . . . . 0.402 ' HA ' ' ND2' ' B' ' 13' ' ' ASN . 15.6 m -58.47 -43.72 89.04 Favored 'General case' 0 C--N 1.314 -0.941 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 177.237 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 96.4 mt -62.88 -41.48 99.42 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 174.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 21.5 mm -62.79 -42.73 97.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 177.119 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' B' ' 9' ' ' GLU . 96.6 m-20 -58.52 -45.75 88.18 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 -174.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 85.8 t -64.45 -46.5 92.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 175.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.479 ' CE2' ' HB2' ' B' ' 28' ' ' LEU . 52.2 t80 -58.31 -46.46 86.11 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.316 -0.856 . . . . 0.0 109.823 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.594 ' CE1' ' CE3' ' A' ' 90' ' ' TRP . 1.3 t-80 -55.93 -43.87 77.82 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.559 -178.556 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.76 -49.86 76.07 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.151 -178.111 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.495 ' CD2' HD21 ' B' ' 36' ' ' LEU . 96.7 m-70 -67.5 -39.84 85.19 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.098 -0.501 . . . . 0.0 112.318 -176.553 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 67.3 m -57.43 -42.86 83.21 Favored 'General case' 0 C--O 1.233 0.204 0 C-N-CA 120.094 -0.642 . . . . 0.0 109.634 177.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.33 -42.25 99.73 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 110.406 -1.078 . . . . 0.0 110.406 177.362 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 12.3 mmtp -65.78 -46.06 80.16 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 122.62 -0.341 . . . . 0.0 111.445 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.522 ' OE1' ' N ' ' B' ' 29' ' ' SER . 99.5 mt-10 -69.08 -39.68 78.89 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.429 178.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 118.76 -24.46 8.42 Favored Glycine 0 CA--C 1.523 0.572 0 C-N-CA 121.087 -0.578 . . . . 0.0 113.633 172.376 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -62.8 145.58 54.61 Favored 'General case' 0 CA--C 1.504 -0.815 0 CA-C-N 118.166 0.983 . . . . 0.0 110.079 179.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.463 ' O ' ' CE3' ' A' ' 90' ' ' TRP . 0.0 OUTLIER -53.4 -49.35 67.45 Favored 'General case' 0 N--CA 1.448 -0.57 0 O-C-N 123.297 0.373 . . . . 0.0 110.395 -178.614 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.417 ' CE1' ' HB2' ' B' ' 25' ' ' LYS . 0.1 OUTLIER -153.92 94.28 1.74 Allowed 'General case' 0 C--O 1.241 0.655 0 CA-C-O 121.22 0.533 . . . . 0.0 110.82 171.577 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 5.8 mmtm -158.96 164.03 35.96 Favored 'General case' 0 C--N 1.308 -1.21 0 CA-C-N 114.232 -1.349 . . . . 0.0 108.192 172.528 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.479 ' HB2' ' CE2' ' B' ' 15' ' ' PHE . 47.2 tp -124.51 134.84 52.89 Favored 'General case' 0 C--N 1.298 -1.633 0 N-CA-C 107.747 -1.205 . . . . 0.0 107.747 170.307 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.522 ' N ' ' OE1' ' B' ' 22' ' ' GLU . 2.0 m -106.1 160.27 15.44 Favored 'General case' 0 C--N 1.305 -1.351 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 -177.263 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.534 ' NZ ' ' O ' ' B' ' 64' ' ' ASN . 3.0 mmmm -68.34 -6.83 26.41 Favored 'General case' 0 C--N 1.319 -0.728 0 C-N-CA 119.993 -0.683 . . . . 0.0 112.253 -173.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.451 ' HD2' ' HG2' ' B' ' 22' ' ' GLU . 0.8 OUTLIER -71.89 -56.86 4.94 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.106 -0.637 . . . . 0.0 110.576 176.848 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.469 ' HB3' ' ND1' ' B' ' 18' ' ' HIS . 69.5 mm-40 -72.08 -42.24 66.42 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-O 120.905 0.384 . . . . 0.0 110.676 176.039 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.402 HD21 ' O ' ' B' ' 33' ' ' LEU . 2.4 tm? -59.5 -46.76 87.89 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -171.125 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 32.8 mtmt -63.29 -43.94 96.44 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 119.063 -1.055 . . . . 0.0 109.596 -179.236 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . 0.431 ' O ' ' HG2' ' B' ' 38' ' ' GLN . 92.2 mt-10 -73.59 -46.33 47.75 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.298 -0.864 . . . . 0.0 111.777 -178.493 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.495 HD21 ' CD2' ' B' ' 18' ' ' HIS . 0.1 OUTLIER -62.83 -42.94 99.94 Favored 'General case' 0 C--N 1.316 -0.863 0 O-C-N 122.239 -0.288 . . . . 0.0 111.761 178.895 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.456 ' N ' ' HG ' ' B' ' 36' ' ' LEU . 2.6 tm? -60.97 -47.95 84.05 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.701 -177.33 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.431 ' HG2' ' O ' ' B' ' 35' ' ' GLU . 6.4 pt20 -64.41 -40.55 96.0 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 121.179 0.514 . . . . 0.0 109.938 176.769 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 29.5 m -63.43 -51.87 63.9 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.902 178.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -70.67 -40.65 72.86 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.162 0.431 . . . . 0.0 112.162 -177.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 11.0 mp -102.09 31.06 4.11 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.247 -176.54 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.405 ' O ' ' N ' ' B' ' 46' ' ' ASP . 68.0 m -53.36 -38.71 63.57 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 120.486 -0.486 . . . . 0.0 110.717 -178.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -63.36 -48.81 75.55 Favored Glycine 0 C--O 1.244 0.765 0 N-CA-C 110.518 -1.033 . . . . 0.0 110.518 176.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.554 ' HA ' ' SD ' ' B' ' 85' ' ' MET . 10.8 m-85 -64.46 -44.37 91.3 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-O 121.089 0.471 . . . . 0.0 110.604 176.324 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.9 tp -61.95 -45.16 94.87 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.966 177.25 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.415 ' HA ' ' NZ ' ' B' ' 49' ' ' LYS . 20.3 t70 -59.91 -44.85 94.04 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.58 -179.036 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . 0.587 ' CB ' ' SD ' ' B' ' 85' ' ' MET . . . -64.85 -24.2 67.47 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-O 121.134 0.492 . . . . 0.0 109.941 173.835 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.498 ' NE2' ' HB ' ' B' ' 54' ' ' VAL . 0.0 OUTLIER -95.07 10.91 33.99 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.679 -0.692 . . . . 0.0 112.783 -176.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.415 ' NZ ' ' HA ' ' B' ' 46' ' ' ASP . 56.7 mttp -58.96 -42.37 89.74 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 119.455 -0.898 . . . . 0.0 111.98 -179.196 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -116.16 35.3 4.57 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 113.183 0.808 . . . . 0.0 113.183 -174.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . 0.497 ' HB ' ' NE2' ' B' ' 48' ' ' GLN . 2.1 t -123.82 122.03 63.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 172.689 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.48 ' OD2' ' NZ ' ' B' ' 56' ' ' LYS . 25.0 t70 -63.55 -8.94 10.93 Favored 'General case' 0 C--O 1.245 0.824 0 N-CA-C 112.742 0.645 . . . . 0.0 112.742 -174.617 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.97 -36.98 85.75 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.073 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.498 ' HB ' ' NE2' ' B' ' 48' ' ' GLN . 11.0 p -59.14 -37.85 70.81 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.504 ' O ' ' N ' ' B' ' 59' ' ' LYS . 17.0 t70 -59.18 -41.69 89.07 Favored 'General case' 0 CA--C 1.505 -0.76 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.615 -179.1 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . 0.48 ' NZ ' ' OD2' ' B' ' 52' ' ' ASP . 23.1 mmtm -63.18 -44.43 95.44 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.354 -176.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . 0.445 HG13 ' CD1' ' B' ' 77' ' ' LEU . 58.0 t -64.58 -44.57 96.79 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.07 0 CA-C-N 115.409 -0.814 . . . . 0.0 108.982 177.757 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 10.4 mmm -60.49 -41.96 95.32 Favored 'General case' 0 CA--C 1.506 -0.73 0 CA-C-N 115.361 -0.836 . . . . 0.0 108.811 176.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . 0.504 ' N ' ' O ' ' B' ' 55' ' ' ASP . 0.0 OUTLIER -60.54 -45.19 94.76 Favored 'General case' 0 N--CA 1.437 -1.101 0 CA-C-N 114.717 -1.129 . . . . 0.0 109.634 -179.619 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -59.33 -47.14 86.53 Favored 'General case' 0 C--O 1.238 0.462 0 O-C-N 123.435 0.459 . . . . 0.0 110.377 178.204 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.405 ' HG ' ' CD1' ' B' ' 77' ' ' LEU . 2.4 mm? -63.62 -39.16 93.66 Favored 'General case' 0 C--N 1.318 -0.794 0 C-N-CA 120.609 -0.436 . . . . 0.0 110.263 175.131 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -59.42 -42.64 92.31 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.933 0.397 . . . . 0.0 110.28 176.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . 0.452 ' HG3' ' O ' ' B' ' 59' ' ' LYS . 85.9 mt-10 -64.0 -37.13 86.28 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 176.162 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.534 ' O ' ' NZ ' ' B' ' 30' ' ' LYS . 2.1 m-20 -82.76 36.84 0.5 Allowed 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.274 -0.876 . . . . 0.0 110.535 173.366 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.445 ' HA2' ' NZ ' ' B' ' 30' ' ' LYS . . . -102.81 17.86 51.63 Favored Glycine 0 C--N 1.32 -0.306 0 N-CA-C 109.644 -1.382 . . . . 0.0 109.644 178.136 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -59.45 -44.19 93.0 Favored 'General case' 0 CA--C 1.506 -0.735 0 CA-C-O 120.939 0.4 . . . . 0.0 110.141 -179.191 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -156.03 -88.35 0.07 OUTLIER Glycine 0 C--N 1.311 -0.826 0 N-CA-C 110.763 -0.935 . . . . 0.0 110.763 179.25 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -110.52 165.83 11.49 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.173 0.511 . . . . 0.0 112.008 -177.465 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.409 ' CG1' ' O ' ' B' ' 28' ' ' LEU . 0.6 OUTLIER -121.79 125.54 73.44 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.096 0 N-CA-C 107.647 -1.242 . . . . 0.0 107.647 170.091 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.531 ' CG ' ' N ' ' B' ' 71' ' ' PHE . 0.7 OUTLIER -92.66 -179.95 5.32 Favored 'General case' 0 C--N 1.311 -1.066 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 -176.512 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.531 ' N ' ' CG ' ' B' ' 70' ' ' ASP . 56.2 t80 -57.79 -41.91 83.08 Favored 'General case' 0 C--N 1.307 -1.276 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 -178.568 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . 0.402 ' O ' HG23 ' B' ' 75' ' ' VAL . 44.9 mt-30 -58.2 -45.73 87.09 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.705 178.724 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.42 ' HA ' HG12 ' B' ' 76' ' ' VAL . 2.1 mp0 -67.57 -38.0 83.44 Favored 'General case' 0 C--O 1.239 0.513 0 C-N-CA 120.152 -0.619 . . . . 0.0 109.856 174.731 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -60.94 -48.01 83.79 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.299 -179.297 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . 0.423 ' CG2' ' CB ' ' A' ' 79' ' ' ALA . 26.9 m -63.93 -41.18 91.67 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 C-N-CA 119.841 -0.744 . . . . 0.0 112.067 -179.634 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . 0.48 ' O ' ' N ' ' B' ' 80' ' ' ALA . 13.1 p -65.44 -37.93 81.24 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.452 0 C-N-CA 120.026 -0.67 . . . . 0.0 110.862 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . 0.445 ' CD1' HG13 ' B' ' 57' ' ' VAL . 41.0 tp -60.67 -49.42 77.6 Favored 'General case' 0 CA--C 1.515 -0.376 0 C-N-CA 120.367 -0.533 . . . . 0.0 111.071 177.385 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 25.1 m -69.16 -43.26 81.71 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 C-N-CA 119.491 -0.884 . . . . 0.0 110.515 177.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.56 -42.21 98.37 Favored 'General case' 0 CA--C 1.51 -0.578 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.35 179.02 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . 0.48 ' N ' ' O ' ' B' ' 76' ' ' VAL . . . -61.36 -44.78 96.6 Favored 'General case' 0 N--CA 1.445 -0.716 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 -179.303 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.415 ' CD1' HD12 ' B' ' 37' ' ' LEU . 92.2 mt -63.21 -41.97 99.21 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 173.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.441 ' O ' ' HB2' ' B' ' 86' ' ' ASN . 14.7 m -61.78 -51.15 69.47 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.8 179.402 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . 0.426 ' O ' ' N ' ' B' ' 87' ' ' ASN . 0.7 OUTLIER -63.65 -42.88 97.58 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.422 178.741 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.76 -50.98 71.41 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.144 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 85' ' ' MET . . . . . 0.587 ' SD ' ' CB ' ' B' ' 47' ' ' ALA . 31.7 ttp -70.9 -42.34 70.09 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.291 -0.564 . . . . 0.0 110.463 178.019 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . 0.441 ' HB2' ' O ' ' B' ' 82' ' ' THR . 3.3 t30 -61.83 -30.8 71.08 Favored 'General case' 0 CA--C 1.506 -0.719 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.035 -179.634 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . 0.563 ' HA ' ' HE1' ' B' ' 90' ' ' TRP . 0.2 OUTLIER -47.76 -43.21 27.14 Favored 'General case' 0 CA--C 1.511 -0.539 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 -179.021 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -69.02 -38.5 79.24 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.239 178.425 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 5.6 m-30 -45.92 -76.61 0.02 OUTLIER 'General case' 0 CA--C 1.512 -0.508 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 -173.185 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . 0.563 ' HE1' ' HA ' ' B' ' 87' ' ' ASN . 0.0 OUTLIER -51.69 -32.93 31.87 Favored 'General case' 0 C--N 1.31 -1.126 0 C-N-CA 120.382 -0.527 . . . . 0.0 110.499 -173.54 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -69.97 -49.31 52.99 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.477 176.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 61.6 t-20 -92.87 98.85 11.64 Favored 'General case' 0 CA--C 1.506 -0.724 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 -179.322 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 14.2 t . . . . . 0 C--N 1.311 -1.097 0 CA-C-O 118.661 -0.685 . . . . 0.0 111.409 -171.365 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.47 ' H1 ' ' CD ' ' A' ' 5' ' ' GLU . . . . . . . . 0 CA--C 1.521 0.446 0 N-CA-C 111.651 -0.579 . . . . 0.0 111.651 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.4 m -87.87 -172.86 4.03 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 110.154 -0.313 . . . . 0.0 110.154 179.193 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.442 ' CD ' ' H ' ' A' ' 3' ' ' GLU . 2.2 mp0 -46.56 -22.66 0.3 Allowed 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.93 0.395 . . . . 0.0 110.171 179.667 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.516 ' HG ' ' HB3' ' B' ' 40' ' ' GLU . 1.0 OUTLIER -60.89 -41.22 95.63 Favored 'General case' 0 CA--C 1.505 -0.779 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.802 -176.134 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.47 ' CD ' ' H1 ' ' A' ' 1' ' ' GLY . 96.3 mt-10 -64.95 -42.54 94.54 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 119.037 -1.065 . . . . 0.0 110.095 178.336 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.412 ' O ' ' N ' ' A' ' 10' ' ' THR . 17.1 m -62.23 -46.84 87.08 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 174.106 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.24 -42.59 95.6 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 177.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.517 ' SD ' ' OG1' ' B' ' 82' ' ' THR . 0.3 OUTLIER -63.69 -43.6 96.14 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 177.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -65.19 -37.19 86.54 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.55 176.487 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.412 ' N ' ' O ' ' A' ' 6' ' ' THR . 18.8 m -58.09 -45.25 87.49 Favored 'General case' 0 C--N 1.313 -1.005 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 178.061 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.8 mt -63.06 -41.04 99.37 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.019 172.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.548 ' O ' ' N ' ' A' ' 16' ' ' HIS . 21.5 mm -62.62 -44.27 99.25 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.54 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.213 178.724 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 50.8 m-80 -60.5 -42.88 97.25 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 120.696 -0.401 . . . . 0.0 110.514 -174.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 71.1 t -62.09 -46.62 96.07 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 175.027 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.422 ' CE1' ' HB2' ' A' ' 28' ' ' LEU . 69.1 t80 -60.25 -45.18 94.15 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.542 176.121 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.548 ' N ' ' O ' ' A' ' 12' ' ' ILE . 0.2 OUTLIER -57.26 -49.89 74.62 Favored 'General case' 0 C--O 1.242 0.663 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.17 -179.359 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.83 -50.3 73.99 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.112 -179.04 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -67.6 -36.57 81.1 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.435 -179.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.404 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 48.8 m -56.47 -41.42 76.53 Favored 'General case' 0 CA--C 1.514 -0.406 0 C-N-CA 120.299 -0.56 . . . . 0.0 110.266 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.13 -33.65 86.53 Favored Glycine 0 CA--C 1.522 0.505 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 179.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.4 mmtp -63.82 -76.04 0.07 Allowed 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 -175.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -124.05 -5.31 7.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.958 -0.564 . . . . 0.0 112.321 -171.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.48 ' HA3' ' O ' ' A' ' 27' ' ' LYS . . . -75.04 -111.02 0.09 OUTLIER Glycine 0 CA--C 1.529 0.907 0 N-CA-C 111.771 -0.532 . . . . 0.0 111.771 -176.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -151.1 -151.26 0.38 Allowed 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 178.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.402 ' O ' ' CE3' ' B' ' 90' ' ' TRP . 46.6 mtmt -61.84 -45.43 93.83 Favored 'General case' 0 CA--C 1.475 -1.925 0 N-CA-C 106.569 -1.641 . . . . 0.0 106.569 173.049 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.484 ' HB3' ' CE3' ' B' ' 90' ' ' TRP . 0.1 OUTLIER -146.46 93.31 2.28 Favored 'General case' 0 N--CA 1.428 -1.535 0 CA-C-N 113.762 -1.563 . . . . 0.0 109.672 170.838 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.48 ' O ' ' HA3' ' A' ' 23' ' ' GLY . 7.9 mmtm -163.85 159.05 20.66 Favored 'General case' 0 C--N 1.303 -1.447 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 174.356 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.423 ' HB3' HG11 ' A' ' 69' ' ' VAL . 45.6 tp -123.42 131.11 53.55 Favored 'General case' 0 C--N 1.307 -1.269 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 176.532 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.8 p -76.5 157.23 32.32 Favored 'General case' 0 C--O 1.243 0.755 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 178.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.477 ' HZ2' ' C ' ' A' ' 64' ' ' ASN . 8.3 mmmm -77.91 -7.89 57.36 Favored 'General case' 0 C--N 1.318 -0.799 0 C-N-CA 118.805 -1.158 . . . . 0.0 109.005 176.426 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 53.2 mttm -66.35 -50.17 64.45 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 176.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -75.56 -39.38 58.25 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 113.538 -1.664 . . . . 0.0 111.047 178.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -59.41 -44.79 92.77 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.083 -173.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.443 ' HB3' ' NZ ' ' A' ' 34' ' ' LYS . 7.1 mtpm? -62.61 -43.44 98.79 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 120.425 -0.51 . . . . 0.0 110.923 179.419 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -73.4 -52.25 14.45 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.233 0.539 . . . . 0.0 110.148 -177.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.498 ' HG ' ' N ' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -63.35 -43.86 96.49 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 115.906 -0.588 . . . . 0.0 112.456 -176.918 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.498 ' N ' ' HG ' ' A' ' 36' ' ' LEU . 2.9 tm? -61.59 -47.28 86.21 Favored 'General case' 0 CA--C 1.511 -0.556 0 C-N-CA 120.032 -0.667 . . . . 0.0 110.506 -177.419 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -66.35 -41.07 90.06 Favored 'General case' 0 C--N 1.317 -0.834 0 C-N-CA 119.763 -0.775 . . . . 0.0 110.258 178.096 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 98.6 m -63.84 -52.36 60.46 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.67 -179.04 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.406 ' CD ' ' HG ' ' B' ' 2' ' ' SER . 70.9 mm-40 -72.64 -43.01 63.79 Favored 'General case' 0 C--O 1.239 0.504 0 N-CA-C 112.587 0.588 . . . . 0.0 112.587 -173.418 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 45' ' ' LEU . 10.9 mp -96.85 35.37 1.55 Allowed 'General case' 0 CA--C 1.505 -0.766 0 CA-C-O 121.206 0.527 . . . . 0.0 110.567 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.76 -33.99 69.09 Favored 'General case' 0 C--N 1.307 -1.242 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.355 -178.354 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.03 -50.81 43.7 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.565 -0.614 . . . . 0.0 111.565 177.423 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.534 ' HD1' ' SD ' ' A' ' 85' ' ' MET . 21.3 m-85 -70.47 -39.33 74.32 Favored 'General case' 0 CA--C 1.494 -1.193 0 CA-C-O 121.309 0.576 . . . . 0.0 110.163 176.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.485 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 44.5 tp -61.02 -44.83 96.83 Favored 'General case' 0 N--CA 1.427 -1.625 0 CA-C-N 115.23 -0.895 . . . . 0.0 111.463 -178.7 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -55.42 -46.18 76.68 Favored 'General case' 0 CA--C 1.511 -0.52 0 C-N-CA 119.91 -0.716 . . . . 0.0 110.534 -175.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.49 ' HB1' ' SD ' ' A' ' 85' ' ' MET . . . -66.68 -39.46 88.13 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.369 177.725 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.401 ' HG2' ' O ' ' A' ' 44' ' ' PHE . 85.8 mm-40 -76.45 -8.48 57.24 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.658 -0.701 . . . . 0.0 112.336 -177.737 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.485 ' HG3' ' O ' ' A' ' 45' ' ' LEU . 12.9 mtpt -56.99 -38.78 73.52 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 177.25 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -98.03 19.15 14.48 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.043 -176.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 69.9 t -118.91 133.16 66.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 -178.139 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.449 ' CG ' ' HZ1' ' A' ' 56' ' ' LYS . 32.6 t70 -57.54 -34.12 68.82 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.809 -176.627 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.45 -30.47 62.9 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.225 -177.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 1.2 p -58.79 -43.53 88.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 C-N-CA 120.196 -0.602 . . . . 0.0 110.493 -178.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.509 ' O ' ' N ' ' A' ' 59' ' ' LYS . 1.8 t70 -60.14 -55.57 32.18 Favored 'General case' 0 CA--C 1.504 -0.796 0 CA-C-O 121.559 0.695 . . . . 0.0 110.452 175.157 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.449 ' HZ1' ' CG ' ' A' ' 52' ' ' ASP . 46.3 mttp -67.49 -39.93 85.21 Favored 'General case' 0 C--N 1.295 -1.778 0 CA-C-N 114.544 -1.207 . . . . 0.0 113.088 -173.474 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.464 HG12 HD11 ' A' ' 77' ' ' LEU . 52.8 t -63.67 -45.78 96.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 174.809 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.489 ' O ' ' N ' ' A' ' 62' ' ' ASP . 65.1 ttp -62.29 -38.43 89.35 Favored 'General case' 0 N--CA 1.434 -1.261 0 CA-C-N 114.504 -1.225 . . . . 0.0 109.817 174.75 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.509 ' N ' ' O ' ' A' ' 55' ' ' ASP . 0.4 OUTLIER -60.83 -42.04 96.96 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.672 -174.853 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -58.15 -45.67 87.02 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 178.018 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.425 ' HG ' ' CD2' ' A' ' 77' ' ' LEU . 2.6 mm? -64.36 -40.6 96.17 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.273 173.612 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.489 ' N ' ' O ' ' A' ' 58' ' ' MET . 18.3 t0 -60.99 -38.85 87.47 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 -178.12 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.512 ' C ' ' H ' ' A' ' 65' ' ' GLY . 97.2 mt-10 -63.82 -43.17 97.03 Favored 'General case' 0 CA--C 1.502 -0.874 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 173.432 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.477 ' C ' ' HZ2' ' A' ' 30' ' ' LYS . 8.6 t-20 -74.41 36.61 0.1 Allowed 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.28 178.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.512 ' H ' ' C ' ' A' ' 63' ' ' GLU . . . -100.74 -3.7 54.91 Favored Glycine 0 CA--C 1.508 -0.359 0 N-CA-C 109.662 -1.375 . . . . 0.0 109.662 179.633 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -61.54 -40.35 94.37 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.086 -0.557 . . . . 0.0 110.403 -177.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -128.66 -140.9 5.06 Favored Glycine 0 C--N 1.311 -0.849 0 N-CA-C 109.229 -1.548 . . . . 0.0 109.229 176.362 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.432 ' N ' ' CD ' ' A' ' 68' ' ' GLU . 19.4 mp0 -90.64 175.62 6.97 Favored 'General case' 0 C--N 1.309 -1.154 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 176.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.423 HG11 ' HB3' ' A' ' 28' ' ' LEU . 1.9 p -117.94 131.24 71.25 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 174.79 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -94.15 -176.56 4.02 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.168 0.509 . . . . 0.0 110.643 -176.08 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -61.06 -44.62 97.1 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.256 178.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.403 ' O ' HG21 ' A' ' 75' ' ' VAL . 49.0 mt-30 -61.29 -42.25 98.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.59 -179.203 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.403 ' HG3' ' ND2' ' A' ' 64' ' ' ASN . 70.0 mm-40 -70.2 -38.14 75.25 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 121.605 0.717 . . . . 0.0 110.09 174.447 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -61.67 -48.58 80.19 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.873 179.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.403 HG21 ' O ' ' A' ' 72' ' ' GLN . 19.0 m -63.22 -40.7 90.04 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -177.086 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 9.2 p -63.96 -38.75 83.22 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.713 0 C-N-CA 120.364 -0.534 . . . . 0.0 110.574 -179.384 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.464 HD11 HG12 ' A' ' 57' ' ' VAL . 59.3 tp -61.32 -47.81 84.23 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.296 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.46 ' HB ' ' SD ' ' B' ' 8' ' ' MET . 28.2 m -69.66 -42.53 80.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 C-N-CA 120.21 -0.596 . . . . 0.0 111.07 176.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.459 ' CB ' ' CG2' ' B' ' 75' ' ' VAL . . . -63.41 -41.48 98.73 Favored 'General case' 0 CA--C 1.508 -0.641 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.6 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.12 -48.44 80.2 Favored 'General case' 0 N--CA 1.44 -0.937 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.991 -179.164 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 87.5 mt -63.19 -42.0 99.27 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.826 175.51 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 21.0 m -61.98 -51.43 68.1 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.344 -179.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 10.0 p -63.3 -43.38 98.62 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.579 0 C-N-CA 120.093 -0.643 . . . . 0.0 110.539 -179.493 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -53.89 -52.66 59.79 Favored 'General case' 0 N--CA 1.44 -0.927 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.488 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.534 ' SD ' ' HD1' ' A' ' 44' ' ' PHE . 27.3 ttt -77.03 -44.05 32.28 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 119.638 -0.825 . . . . 0.0 111.921 178.272 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.505 ' OD1' ' NE1' ' A' ' 90' ' ' TRP . 8.3 t-20 -62.47 -40.07 95.45 Favored 'General case' 0 CA--C 1.513 -0.479 0 C-N-CA 120.58 -0.448 . . . . 0.0 111.666 -174.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.507 ' C ' HD21 ' A' ' 87' ' ' ASN . 0.2 OUTLIER -47.39 -32.55 5.03 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.194 179.923 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.475 ' O ' ' N ' ' A' ' 92' ' ' ASN . 71.0 m-85 -63.59 -34.78 78.58 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.871 178.776 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.431 ' N ' ' O ' ' A' ' 86' ' ' ASN . 55.3 m-85 -61.05 -37.98 84.54 Favored 'General case' 0 CA--C 1.514 -0.426 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 175.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.656 ' CD1' ' N ' ' A' ' 90' ' ' TRP . 2.4 m0 -64.13 -41.75 97.09 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 179.164 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 63.9 mt-10 -71.0 -43.43 67.98 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 114.875 -1.057 . . . . 0.0 111.192 176.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.475 ' N ' ' O ' ' A' ' 88' ' ' PHE . 35.6 t30 -94.89 99.7 11.7 Favored 'General case' 0 CA--C 1.5 -0.945 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 179.039 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.9 m . . . . . 0 C--O 1.203 -1.379 0 CA-C-O 118.771 -0.633 . . . . 0.0 109.9 -174.53 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.295 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' SER . . . . . 0.425 ' C ' ' N ' ' B' ' 4' ' ' LEU . 19.0 m -73.22 158.57 34.95 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.746 0.308 . . . . 0.0 110.813 179.51 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.531 ' H ' ' CD ' ' B' ' 3' ' ' GLU . 2.7 mp0 -49.62 -18.57 0.46 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.828 177.492 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.425 ' N ' ' C ' ' B' ' 2' ' ' SER . 89.7 mt -61.08 -41.11 96.02 Favored 'General case' 0 N--CA 1.436 -1.135 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 178.054 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -62.77 -43.05 99.81 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 178.116 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.438 ' O ' ' N ' ' B' ' 10' ' ' THR . 9.8 m -61.19 -45.72 93.43 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.325 174.756 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.49 -47.19 84.91 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.441 176.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' MET . . . . . 0.46 ' SD ' ' HB ' ' A' ' 78' ' ' VAL . 1.8 mtp -63.35 -42.96 98.94 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.148 178.219 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -64.83 -35.82 82.35 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.644 176.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' THR . . . . . 0.438 ' N ' ' O ' ' B' ' 6' ' ' THR . 12.3 m -58.85 -44.34 90.96 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 174.47 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 93.6 mt -63.07 -39.26 94.19 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.157 175.126 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.424 HD13 ' CE2' ' B' ' 71' ' ' PHE . 17.8 mm -61.73 -43.28 96.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.977 -179.092 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -57.7 -44.07 85.61 Favored 'General case' 0 C--N 1.318 -0.791 0 C-N-CA 120.941 -0.304 . . . . 0.0 110.481 -174.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 96.2 t -63.43 -48.68 86.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.386 0.612 . . . . 0.0 109.647 177.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.462 ' CE2' ' HB2' ' B' ' 28' ' ' LEU . 48.1 t80 -61.17 -48.02 83.48 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.671 0.748 . . . . 0.0 110.151 178.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -62.21 -47.34 84.89 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 114.862 -1.063 . . . . 0.0 110.977 -176.314 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.84 -46.19 90.05 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 120.831 0.348 . . . . 0.0 110.642 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 86.5 m-70 -71.24 -26.92 63.12 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.168 -0.469 . . . . 0.0 112.233 -179.434 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 38.6 m -53.56 -42.61 67.71 Favored 'General case' 0 CA--C 1.52 -0.192 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 177.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.48 -41.97 99.74 Favored Glycine 0 CA--C 1.522 0.503 0 CA-C-N 115.928 -0.578 . . . . 0.0 112.077 179.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -65.94 -46.24 78.9 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 -172.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.521 ' C ' ' HG ' ' B' ' 29' ' ' SER . 80.2 mm-40 -142.46 -4.9 0.97 Allowed 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -176.349 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . 0.407 ' HA3' ' O ' ' B' ' 27' ' ' LYS . . . -89.35 176.07 43.15 Favored Glycine 0 C--N 1.308 -1.002 0 N-CA-C 110.491 -1.044 . . . . 0.0 110.491 -175.628 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . 0.535 ' CG ' ' H ' ' B' ' 25' ' ' LYS . 10.5 t70 -75.88 -157.87 0.08 Allowed 'General case' 0 CA--C 1.512 -0.498 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 176.5 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.535 ' H ' ' CG ' ' B' ' 24' ' ' ASP . 0.2 OUTLIER -62.03 -45.63 92.75 Favored 'General case' 0 CA--C 1.488 -1.429 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 177.653 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.537 ' HB3' ' CE3' ' A' ' 90' ' ' TRP . 0.1 OUTLIER -137.79 89.79 2.44 Favored 'General case' 0 N--CA 1.426 -1.655 0 CA-C-N 114.934 -1.03 . . . . 0.0 108.918 170.169 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.467 ' NZ ' ' HB3' ' B' ' 70' ' ' ASP . 0.0 OUTLIER -167.27 164.87 15.43 Favored 'General case' 0 C--N 1.311 -1.085 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 172.722 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.462 ' HB2' ' CE2' ' B' ' 15' ' ' PHE . 53.0 tp -123.51 132.62 53.97 Favored 'General case' 0 C--N 1.304 -1.374 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 174.688 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.521 ' HG ' ' C ' ' B' ' 22' ' ' GLU . 0.3 OUTLIER -85.97 166.57 15.81 Favored 'General case' 0 C--N 1.308 -1.212 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.849 -177.807 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.406 ' HZ3' ' HA ' ' B' ' 62' ' ' ASP . 7.4 mmmm -76.78 -3.11 36.57 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.719 -176.22 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 32.4 mttt -80.94 -60.05 2.44 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 121.914 0.864 . . . . 0.0 108.873 -179.254 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -64.79 -35.93 82.68 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.063 -1.426 . . . . 0.0 109.581 -178.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.407 ' C ' ' CD1' ' B' ' 33' ' ' LEU . 2.9 tm? -59.27 -43.45 92.48 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.973 -1.012 . . . . 0.0 110.857 -174.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 50.2 mttp -61.22 -42.53 98.75 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -70.95 -50.44 34.55 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.685 -0.689 . . . . 0.0 112.313 -177.157 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 1.1 pp -68.23 -40.82 81.91 Favored 'General case' 0 CA--C 1.509 -0.617 0 C-N-CA 119.758 -0.777 . . . . 0.0 111.676 -178.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -61.32 -47.07 87.62 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.289 -0.564 . . . . 0.0 110.842 -176.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.421 ' HB2' ' CD2' ' B' ' 45' ' ' LEU . 14.5 pt20 -65.42 -42.05 92.91 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 119.826 -0.75 . . . . 0.0 109.977 176.601 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 94.4 m -65.01 -52.67 54.78 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.38 -177.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.516 ' HB3' ' HG ' ' A' ' 4' ' ' LEU . 46.3 mm-40 -69.92 -39.77 75.97 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.816 0.672 . . . . 0.0 112.816 -176.837 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 10.4 mp -107.68 37.13 2.51 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 121.087 0.47 . . . . 0.0 110.407 179.254 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.29 -36.5 73.4 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.371 -176.138 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.52 -51.25 49.76 Favored Glycine 0 C--O 1.246 0.859 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 177.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.442 ' O ' ' N ' ' B' ' 48' ' ' GLN . 19.5 m-85 -66.1 -41.11 91.08 Favored 'General case' 0 CA--C 1.502 -0.886 0 CA-C-O 120.855 0.36 . . . . 0.0 110.087 176.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.462 ' O ' ' HG3' ' B' ' 49' ' ' LYS . 3.0 tp -58.91 -48.11 82.63 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.89 179.536 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -61.6 -42.14 98.44 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.602 179.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.9 -35.25 80.54 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.881 173.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.483 ' NE2' ' HB ' ' B' ' 51' ' ' VAL . 3.2 mm100 -78.5 -11.92 59.98 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.735 -0.666 . . . . 0.0 112.73 -177.198 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.462 ' HG3' ' O ' ' B' ' 45' ' ' LEU . 67.8 mttm -59.33 -39.69 83.94 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 120.798 -0.361 . . . . 0.0 111.876 -175.482 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -89.5 14.12 12.2 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.388 -0.525 . . . . 0.0 111.586 -179.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . 0.483 ' HB ' ' NE2' ' B' ' 48' ' ' GLN . 2.7 t -117.08 126.66 74.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 176.128 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -60.61 -35.44 76.15 Favored 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 120.935 -0.306 . . . . 0.0 111.376 -177.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -45.19 -29.72 1.01 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.416 -177.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 9.9 p -60.21 -42.55 90.72 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 C-N-CA 120.34 -0.544 . . . . 0.0 109.914 179.55 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -60.92 -52.44 65.03 Favored 'General case' 0 CA--C 1.497 -1.085 0 CA-C-O 121.44 0.638 . . . . 0.0 110.315 176.308 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 49.6 mttp -63.72 -42.33 97.93 Favored 'General case' 0 C--N 1.304 -1.396 0 CA-C-N 114.962 -1.017 . . . . 0.0 112.152 -175.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . 0.486 HG11 ' CD1' ' B' ' 77' ' ' LEU . 78.1 t -63.48 -47.25 92.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 178.005 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 65.8 ttp -62.84 -42.49 99.76 Favored 'General case' 0 N--CA 1.432 -1.344 0 CA-C-N 114.845 -1.071 . . . . 0.0 110.623 176.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.05 -41.85 97.25 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.697 -179.152 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 -61.17 -40.8 95.25 Favored 'General case' 0 C--N 1.319 -0.746 0 C-N-CA 119.562 -0.855 . . . . 0.0 109.027 177.253 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.472 ' O ' ' N ' ' B' ' 65' ' ' GLY . 2.6 mm? -63.37 -38.66 92.02 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 171.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.406 ' HA ' ' HZ3' ' B' ' 30' ' ' LYS . 25.4 t70 -60.81 -45.39 94.64 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 177.738 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -68.34 -51.81 40.32 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.898 178.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.482 ' C ' ' H ' ' B' ' 66' ' ' ASP . 9.9 t-20 -69.29 -48.45 61.6 Favored 'General case' 0 CA--C 1.503 -0.833 0 CA-C-O 121.476 0.655 . . . . 0.0 110.348 -177.126 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' B' ' 61' ' ' LEU . . . -77.39 45.98 2.44 Favored Glycine 0 CA--C 1.493 -1.321 0 N-CA-C 108.796 -1.721 . . . . 0.0 108.796 176.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.482 ' H ' ' C ' ' B' ' 64' ' ' ASN . 29.6 t70 -60.99 -33.96 74.05 Favored 'General case' 0 CA--C 1.497 -1.083 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 -178.42 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -108.8 -62.39 0.54 Allowed Glycine 0 C--N 1.312 -0.789 0 N-CA-C 110.058 -1.217 . . . . 0.0 110.058 177.177 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -139.82 169.34 17.89 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 -178.203 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.413 ' CG1' ' O ' ' B' ' 28' ' ' LEU . 1.5 p -122.09 128.08 75.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 174.334 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.467 ' HB3' ' NZ ' ' B' ' 27' ' ' LYS . 0.0 OUTLIER -93.7 -179.94 5.17 Favored 'General case' 0 CA--C 1.515 -0.368 0 C-N-CA 120.708 -0.397 . . . . 0.0 111.06 -179.1 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.424 ' CE2' HD13 ' B' ' 12' ' ' ILE . 58.0 t80 -61.18 -44.62 97.0 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 179.278 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -59.67 -41.09 89.88 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.864 175.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -66.92 -43.52 83.07 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 174.386 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -63.14 -48.85 76.7 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.344 -0.844 . . . . 0.0 112.139 -176.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . 0.459 ' CG2' ' CB ' ' A' ' 79' ' ' ALA . 12.9 m -62.38 -41.0 90.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 C-N-CA 120.386 -0.525 . . . . 0.0 111.95 -177.197 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . 0.459 ' O ' ' N ' ' B' ' 80' ' ' ALA . 14.7 p -64.39 -37.53 80.22 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.788 0 C-N-CA 120.374 -0.53 . . . . 0.0 109.918 178.298 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . 0.486 ' CD1' HG11 ' B' ' 57' ' ' VAL . 54.5 tp -61.54 -49.0 78.46 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.602 179.039 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.446 ' HB ' ' SD ' ' A' ' 8' ' ' MET . 27.1 m -67.95 -43.15 85.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 C-N-CA 119.947 -0.701 . . . . 0.0 110.605 176.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.28 -42.81 99.13 Favored 'General case' 0 CA--C 1.509 -0.608 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.801 179.356 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' B' ' 76' ' ' VAL . . . -59.83 -46.26 89.8 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-O 121.248 0.547 . . . . 0.0 110.011 -178.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 93.1 mt -63.64 -42.56 98.11 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.569 174.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.517 ' OG1' ' SD ' ' A' ' 8' ' ' MET . 20.5 m -63.23 -49.28 74.78 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.657 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . 0.447 HG12 ' O ' ' B' ' 80' ' ' ALA . 11.4 p -61.16 -46.27 96.96 Favored 'Isoleucine or valine' 0 C--O 1.24 0.578 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.732 -177.03 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.74 -50.29 74.4 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.335 179.003 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.5 -44.87 77.44 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.468 0.651 . . . . 0.0 110.526 179.098 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . 0.505 ' OD1' ' NE1' ' B' ' 90' ' ' TRP . 12.5 t-20 -63.36 -39.91 95.83 Favored 'General case' 0 CA--C 1.505 -0.762 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.409 -176.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -45.14 -33.07 2.06 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.087 -176.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.436 ' O ' ' N ' ' B' ' 92' ' ' ASN . 60.0 m-85 -61.97 -37.1 83.49 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.467 176.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . 0.44 ' N ' ' O ' ' B' ' 86' ' ' ASN . 40.4 m-85 -60.86 -41.19 95.42 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.964 0.411 . . . . 0.0 110.383 177.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . 0.536 ' CD2' ' CE1' ' A' ' 16' ' ' HIS . 33.0 m95 -60.06 -47.19 86.89 Favored 'General case' 0 CA--C 1.493 -1.225 0 CA-C-O 121.623 0.725 . . . . 0.0 109.301 -177.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -83.87 -48.43 10.04 Favored 'General case' 0 C--N 1.301 -1.524 0 CA-C-N 114.196 -1.366 . . . . 0.0 110.934 -175.338 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' B' ' 88' ' ' PHE . 28.7 t-20 -89.67 100.92 13.63 Favored 'General case' 0 CA--C 1.507 -0.678 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 176.284 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.204 -1.313 0 CA-C-O 118.497 -0.763 . . . . 0.0 109.634 -175.519 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.748 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m -74.05 169.15 18.09 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' A' ' 7' ' ' ALA . 0.4 OUTLIER -58.24 -45.94 86.86 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.573 179.165 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -61.85 -42.91 99.62 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 178.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -65.37 -47.33 76.78 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.078 178.412 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 10' ' ' THR . 10.5 m -63.02 -43.49 98.59 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.441 -0.8 . . . . 0.0 111.208 177.488 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 3' ' ' GLU . . . -53.56 -45.11 69.78 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.512 ' SD ' HD11 ' B' ' 11' ' ' LEU . 95.7 mmm -65.16 -40.06 93.81 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.124 176.722 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -62.9 -37.39 86.77 Favored 'General case' 0 CA--C 1.518 -0.258 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 176.251 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.444 ' N ' ' O ' ' A' ' 6' ' ' THR . 7.8 m -59.45 -44.76 92.89 Favored 'General case' 0 C--N 1.313 -1.021 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 -178.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.45 HD12 ' SD ' ' B' ' 8' ' ' MET . 98.4 mt -62.22 -40.39 95.94 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.404 174.545 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 24.2 mm -62.36 -43.48 98.18 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 179.258 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -60.74 -42.85 98.17 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 75.8 t -64.25 -46.32 93.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.72 175.053 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -58.69 -47.97 82.7 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.636 -179.499 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.477 ' CD2' HD22 ' B' ' 86' ' ' ASN . 3.0 m-70 -65.24 -38.71 91.2 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.732 176.657 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.26 -47.6 78.21 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 177.35 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.521 ' CE1' ' HB2' ' A' ' 36' ' ' LEU . 91.4 m-70 -69.93 -38.13 76.1 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.748 -0.66 . . . . 0.0 112.371 177.174 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 68.3 m -53.6 -40.82 66.03 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-O 121.508 0.67 . . . . 0.0 109.954 -179.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.41 -26.71 69.81 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.632 -0.987 . . . . 0.0 110.632 176.327 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.426 ' HB3' ' O ' ' A' ' 18' ' ' HIS . 0.1 OUTLIER -62.16 -45.28 94.12 Favored 'General case' 0 CA--C 1.515 -0.384 0 N-CA-C 110.735 -0.098 . . . . 0.0 110.735 -177.695 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.448 ' OE1' ' N ' ' A' ' 29' ' ' SER . 3.7 pt-20 -91.32 -11.91 36.58 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-O 120.982 0.42 . . . . 0.0 110.609 178.689 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.25 19.29 53.34 Favored Glycine 0 CA--C 1.527 0.811 0 CA-C-N 115.707 -0.679 . . . . 0.0 112.877 175.26 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -78.22 156.18 29.92 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 117.31 0.555 . . . . 0.0 109.825 176.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.442 ' HE2' ' CZ ' ' A' ' 26' ' ' TYR . 23.5 pttm -60.05 -42.71 95.05 Favored 'General case' 0 CA--C 1.512 -0.484 0 C-N-CA 119.947 -0.701 . . . . 0.0 109.373 173.744 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.442 ' CZ ' ' HE2' ' A' ' 25' ' ' LYS . 11.2 p90 -172.66 93.83 0.12 Allowed 'General case' 0 N--CA 1.446 -0.659 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.577 171.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.0 mmmm -156.35 168.43 27.37 Favored 'General case' 0 C--N 1.311 -1.108 0 N-CA-C 107.145 -1.428 . . . . 0.0 107.145 174.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.45 ' HB3' ' O ' ' A' ' 69' ' ' VAL . 44.0 tp -124.44 129.6 50.95 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 174.625 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.448 ' N ' ' OE1' ' A' ' 22' ' ' GLU . 8.9 p -79.28 156.71 27.95 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.489 ' CD ' ' HB ' ' A' ' 69' ' ' VAL . 5.7 mmtm -75.56 -6.64 51.29 Favored 'General case' 0 CA--C 1.514 -0.41 0 C-N-CA 118.485 -1.286 . . . . 0.0 108.82 176.388 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . 0.252 59.6 mttm -62.49 -46.02 90.36 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 106.958 -1.497 . . . . 0.0 106.958 176.563 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.428 ' O ' ' N ' ' A' ' 36' ' ' LEU . 33.5 mm-40 -88.61 -28.76 20.46 Favored 'General case' 0 N--CA 1.435 -1.214 0 CA-C-N 113.385 -1.734 . . . . 0.0 110.472 -177.407 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.47 ' HB2' HG11 ' A' ' 69' ' ' VAL . 3.3 tm? -57.27 -49.17 76.91 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.543 -0.463 . . . . 0.0 110.456 -173.345 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -66.36 -45.17 81.03 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 120.28 -0.568 . . . . 0.0 111.822 178.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -73.47 -45.37 54.55 Favored 'General case' 0 C--O 1.239 0.525 0 N-CA-C 113.183 0.809 . . . . 0.0 113.183 -178.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.521 ' HB2' ' CE1' ' A' ' 18' ' ' HIS . 0.1 OUTLIER -64.9 -43.71 91.95 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 120.996 0.426 . . . . 0.0 111.733 179.716 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.508 ' N ' ' HG ' ' A' ' 36' ' ' LEU . 2.8 tm? -60.97 -46.35 91.07 Favored 'General case' 0 C--N 1.316 -0.848 0 C-N-CA 120.15 -0.62 . . . . 0.0 110.208 -175.828 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -65.33 -42.29 93.09 Favored 'General case' 0 C--N 1.318 -0.789 0 C-N-CA 120.118 -0.633 . . . . 0.0 110.132 176.158 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 79.3 m -64.53 -53.37 49.07 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.39 -179.355 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.419 ' CD ' HD12 ' A' ' 36' ' ' LEU . 1.6 mp0 -69.58 -39.36 77.36 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -177.412 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 11.1 mp -102.38 36.74 2.06 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-O 120.983 0.421 . . . . 0.0 110.655 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.0 -36.35 72.54 Favored 'General case' 0 C--N 1.306 -1.306 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.761 -176.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -66.36 -48.16 65.7 Favored Glycine 0 CA--C 1.528 0.887 0 N-CA-C 111.465 -0.654 . . . . 0.0 111.465 177.05 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.467 ' HD1' ' SD ' ' A' ' 85' ' ' MET . 20.9 m-85 -66.17 -41.19 90.68 Favored 'General case' 0 CA--C 1.498 -1.047 0 CA-C-O 121.513 0.673 . . . . 0.0 109.46 176.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 42.7 tp -61.16 -44.83 96.7 Favored 'General case' 0 C--N 1.303 -1.421 0 CA-C-N 114.692 -1.14 . . . . 0.0 111.111 177.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -54.55 -43.34 71.9 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.059 0.457 . . . . 0.0 110.26 -178.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.14 -24.22 67.61 Favored 'General case' 0 C--O 1.242 0.684 0 CA-C-N 115.353 -0.84 . . . . 0.0 112.245 -178.178 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.428 HE21 ' C ' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -142.22 44.67 1.66 Allowed 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -175.608 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.0 mtpt -63.68 -39.25 93.86 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.84 0.352 . . . . 0.0 110.408 178.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -109.43 36.07 3.08 Favored 'General case' 0 C--O 1.24 0.582 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.182 -177.013 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 54.1 t -112.08 133.78 56.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.522 ' CG ' ' HZ1' ' A' ' 56' ' ' LYS . 32.4 t70 -56.31 -35.67 67.81 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.895 -173.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.22 -41.27 60.17 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.614 -177.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 13.1 p -63.15 -40.68 89.96 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 C-N-CA 120.005 -0.678 . . . . 0.0 110.651 178.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.558 ' HA ' ' SD ' ' A' ' 58' ' ' MET . 31.8 t70 -62.49 -43.67 98.25 Favored 'General case' 0 CA--C 1.494 -1.204 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 175.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.522 ' HZ1' ' CG ' ' A' ' 52' ' ' ASP . 36.7 mmtm -69.07 -47.89 64.11 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.172 -176.681 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 76.8 t -64.3 -47.27 90.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.043 0.449 . . . . 0.0 110.798 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.558 ' SD ' ' HA ' ' A' ' 55' ' ' ASP . 7.2 ptm -61.6 -28.65 69.51 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.091 0.472 . . . . 0.0 110.53 178.091 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.511 ' HB2' ' O ' ' A' ' 55' ' ' ASP . 0.0 OUTLIER -60.98 -47.18 87.66 Favored 'General case' 0 C--O 1.217 -0.621 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.766 -177.726 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 76.4 tt0 -61.16 -41.27 96.48 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 119.956 -0.698 . . . . 0.0 109.142 -178.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.403 ' N ' ' CD2' ' A' ' 61' ' ' LEU . 2.9 mm? -62.17 -42.07 98.92 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.441 174.292 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -65.2 -43.88 90.14 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.304 177.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -62.45 -42.57 99.56 Favored 'General case' 0 CA--C 1.5 -0.947 0 N-CA-C 108.49 -0.929 . . . . 0.0 108.49 175.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.506 ' C ' ' H ' ' A' ' 66' ' ' ASP . 9.6 t-20 -80.9 14.24 2.3 Favored 'General case' 0 C--N 1.308 -1.215 0 CA-C-N 115.032 -0.985 . . . . 0.0 109.807 177.088 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.46 ' HA2' ' HG3' ' A' ' 30' ' ' LYS . . . -80.95 32.41 2.47 Favored Glycine 0 C--O 1.228 -0.219 0 N-CA-C 109.492 -1.443 . . . . 0.0 109.492 176.441 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.506 ' H ' ' C ' ' A' ' 64' ' ' ASN . 31.8 t70 -59.82 -41.1 90.55 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 123.281 0.632 . . . . 0.0 110.406 -178.721 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -146.5 -75.16 0.02 OUTLIER Glycine 0 C--N 1.317 -0.503 0 N-CA-C 110.659 -0.977 . . . . 0.0 110.659 179.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.48 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . 4.5 mp0 -123.12 -174.95 3.06 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.021 0.439 . . . . 0.0 110.421 -179.389 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.489 ' HB ' ' CD ' ' A' ' 30' ' ' LYS . 1.9 p -127.94 129.24 69.7 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.174 0 N-CA-C 107.023 -1.473 . . . . 0.0 107.023 168.349 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.598 ' CG ' ' N ' ' A' ' 71' ' ' PHE . 1.0 OUTLIER -98.06 177.2 5.49 Favored 'General case' 0 C--N 1.302 -1.467 0 C-N-CA 120.353 -0.539 . . . . 0.0 110.03 -178.493 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.598 ' N ' ' CG ' ' A' ' 70' ' ' ASP . 47.4 t80 -58.12 -42.1 85.06 Favored 'General case' 0 C--N 1.31 -1.152 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 -178.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -60.81 -41.95 96.7 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.213 178.52 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 77.6 mt-10 -68.16 -40.28 82.37 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 119.741 -0.784 . . . . 0.0 109.387 173.395 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -61.86 -47.56 84.49 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.17 -0.923 . . . . 0.0 112.327 -176.069 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 16.6 m -64.88 -40.68 89.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 C-N-CA 120.527 -0.469 . . . . 0.0 111.988 -177.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 33.3 m -64.69 -39.9 87.21 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.825 0 C-N-CA 120.641 -0.424 . . . . 0.0 110.792 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 59.2 tp -61.46 -48.95 78.77 Favored 'General case' 0 CA--C 1.509 -0.625 0 CA-C-O 120.89 0.376 . . . . 0.0 109.994 -179.463 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 8.2 m -68.59 -43.29 83.58 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.044 0 C-N-CA 120.082 -0.647 . . . . 0.0 110.4 177.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.22 -47.75 83.02 Favored 'General case' 0 CA--C 1.511 -0.526 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.419 179.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.92 -46.86 84.35 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.437 ' CD1' HD12 ' A' ' 37' ' ' LEU . 96.2 mt -63.46 -41.93 98.61 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.825 175.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 97.7 m -60.94 -51.03 71.01 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.201 -177.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 14.7 p -63.82 -43.08 97.77 Favored 'Isoleucine or valine' 0 C--O 1.237 0.407 0 C-N-CA 120.148 -0.621 . . . . 0.0 110.229 179.21 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.56 -50.32 73.49 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 120.424 -0.511 . . . . 0.0 109.809 177.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.467 ' SD ' ' HD1' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -66.63 -44.62 81.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.892 0.377 . . . . 0.0 111.101 177.415 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.413 ' O ' ' HB2' ' A' ' 89' ' ' PHE . 9.0 m120 -65.11 -21.4 66.79 Favored 'General case' 0 CA--C 1.511 -0.543 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.578 -177.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -57.88 -39.61 78.25 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 175.095 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.473 ' O ' ' N ' ' A' ' 92' ' ' ASN . 83.0 m-85 -63.42 -35.11 79.32 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.19 177.194 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.413 ' HB2' ' O ' ' A' ' 86' ' ' ASN . 7.7 m-85 -55.84 -48.32 75.71 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 119.982 -0.687 . . . . 0.0 109.856 -179.061 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.513 ' NE1' ' CE1' ' B' ' 16' ' ' HIS . 29.2 m95 -75.93 -46.51 29.49 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.986 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -68.21 -36.45 79.56 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -179.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.473 ' N ' ' O ' ' A' ' 88' ' ' PHE . 49.9 t30 -52.02 107.4 0.2 Allowed 'General case' 0 CA--C 1.511 -0.528 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 -179.721 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.1 t . . . . . 0 C--O 1.21 -1.007 0 CA-C-O 118.242 -0.885 . . . . 0.0 110.793 -172.922 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.578 0 N-CA-C 111.149 -0.78 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 4.3 m -72.91 166.77 22.35 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 178.512 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -57.89 -32.53 67.81 Favored 'General case' 0 CA--C 1.509 -0.633 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 178.529 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.406 ' O ' ' HG2' ' B' ' 8' ' ' MET . 0.4 OUTLIER -60.48 -42.18 95.75 Favored 'General case' 0 CA--C 1.506 -0.737 0 N-CA-C 107.821 -1.177 . . . . 0.0 107.821 177.303 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -63.73 -41.91 97.99 Favored 'General case' 0 N--CA 1.436 -1.164 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.079 177.415 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.443 ' O ' ' N ' ' B' ' 10' ' ' THR . 7.5 m -60.46 -45.41 93.78 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 174.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.1 -45.71 90.16 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.915 178.381 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' MET . . . . . 0.45 ' SD ' HD12 ' A' ' 11' ' ' LEU . 95.5 mmm -64.4 -39.82 94.6 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.549 -0.461 . . . . 0.0 110.206 177.613 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 64.2 mt-10 -63.13 -37.77 88.54 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 120.207 -0.597 . . . . 0.0 109.418 173.238 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' THR . . . . . 0.443 ' N ' ' O ' ' B' ' 6' ' ' THR . 7.2 m -59.25 -44.32 92.38 Favored 'General case' 0 N--CA 1.445 -0.717 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 178.549 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.512 HD11 ' SD ' ' A' ' 8' ' ' MET . 95.3 mt -63.01 -41.94 99.7 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.997 174.448 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.562 HG21 ' CD2' ' B' ' 16' ' ' HIS . 15.4 mm -62.21 -44.15 98.75 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 179.483 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 24.7 m-80 -61.37 -43.87 98.14 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.368 -178.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 56.9 t -66.24 -48.04 82.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 C-N-CA 120.34 -0.544 . . . . 0.0 110.362 175.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.505 ' CE2' ' CB ' ' B' ' 28' ' ' LEU . 56.8 t80 -59.13 -48.6 81.01 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.599 -179.061 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.562 ' CD2' HG21 ' B' ' 12' ' ' ILE . 12.5 m-70 -67.9 -35.02 77.75 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.853 -177.755 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.37 -45.73 93.18 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.854 179.692 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 89.6 m-70 -65.56 -29.69 70.34 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.029 179.274 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.5 ' HB3' ' O ' ' B' ' 25' ' ' LYS . 14.7 m -49.86 -31.32 11.72 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.364 -177.133 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -54.45 -32.75 52.9 Favored Glycine 0 C--N 1.32 -0.325 0 N-CA-C 110.258 -1.137 . . . . 0.0 110.258 179.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . 0.43 ' HZ2' ' CD ' ' B' ' 32' ' ' GLU . 0.2 OUTLIER -63.31 -45.08 93.01 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.108 176.006 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.491 ' HB2' ' HG ' ' B' ' 29' ' ' SER . 70.6 tt0 -70.74 -44.91 65.81 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 121.027 0.441 . . . . 0.0 111.6 176.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.64 -3.85 62.4 Favored Glycine 0 CA--C 1.537 1.41 0 CA-C-N 116.079 -0.509 . . . . 0.0 113.501 177.031 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 54.9 t0 -58.38 -51.33 70.27 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 178.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.5 ' O ' ' HB3' ' B' ' 19' ' ' SER . 55.9 pttt 164.16 -128.46 0.0 OUTLIER 'General case' 0 C--N 1.309 -1.176 0 C-N-CA 126.134 1.774 . . . . 0.0 106.912 174.771 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.537 ' CB ' ' CE1' ' B' ' 16' ' ' HIS . 0.9 OUTLIER -74.92 92.2 2.54 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 118.263 -1.375 . . . . 0.0 108.109 170.315 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.434 ' O ' ' HA ' ' B' ' 19' ' ' SER . 4.7 mmmm -153.94 162.44 41.22 Favored 'General case' 0 CA--C 1.507 -0.688 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.803 -175.196 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.505 ' CB ' ' CE2' ' B' ' 15' ' ' PHE . 44.2 tp -135.27 134.67 40.2 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-O 121.293 0.568 . . . . 0.0 110.598 172.645 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.491 ' HG ' ' HB2' ' B' ' 22' ' ' GLU . 0.2 OUTLIER -110.57 169.3 8.84 Favored 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 176.122 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.452 ' O ' ' NZ ' ' B' ' 34' ' ' LYS . 0.1 OUTLIER -64.31 -3.48 2.91 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-O 121.07 0.462 . . . . 0.0 111.062 -176.552 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.522 ' O ' ' NZ ' ' B' ' 34' ' ' LYS . 41.5 mttm -60.76 -71.84 0.13 Allowed 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 179.371 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.43 ' CD ' ' HZ2' ' B' ' 21' ' ' LYS . 36.7 mm-40 -75.71 -39.99 56.45 Favored 'General case' 0 N--CA 1.441 -0.876 0 CA-C-N 114.148 -1.387 . . . . 0.0 111.772 -177.626 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -44.29 -57.5 3.45 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 116.146 -0.479 . . . . 0.0 112.107 -171.101 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.522 ' NZ ' ' O ' ' B' ' 31' ' ' LYS . 23.0 pttm -61.53 -46.56 89.44 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-O 120.91 0.386 . . . . 0.0 111.63 -178.265 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -67.97 -45.49 74.05 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.999 0.428 . . . . 0.0 111.093 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.442 ' HG ' ' N ' ' B' ' 37' ' ' LEU . 0.1 OUTLIER -63.82 -43.49 96.06 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.021 -0.536 . . . . 0.0 112.304 177.728 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.442 ' N ' ' HG ' ' B' ' 36' ' ' LEU . 2.8 tm? -61.18 -47.71 84.93 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 120.646 -0.422 . . . . 0.0 111.303 -176.072 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.436 ' HG3' ' N ' ' B' ' 39' ' ' THR . 15.4 pt20 -64.76 -40.58 95.53 Favored 'General case' 0 C--N 1.315 -0.896 0 C-N-CA 119.869 -0.732 . . . . 0.0 109.669 177.729 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.436 ' N ' ' HG3' ' B' ' 38' ' ' GLN . 96.6 m -62.61 -51.98 65.19 Favored 'General case' 0 N--CA 1.441 -0.911 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.272 -177.798 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -73.17 -41.24 64.1 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.419 -0.512 . . . . 0.0 111.931 -176.401 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 9.8 mp -102.69 30.5 4.66 Favored 'General case' 0 C--O 1.238 0.473 0 N-CA-C 112.497 0.555 . . . . 0.0 112.497 -176.357 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 23.2 m -51.97 -38.79 57.88 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 120.429 -0.508 . . . . 0.0 109.902 178.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -62.35 -50.7 62.39 Favored Glycine 0 N--CA 1.453 -0.183 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 178.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.506 ' CE2' ' HA ' ' B' ' 82' ' ' THR . 19.3 m-85 -62.41 -45.79 91.53 Favored 'General case' 0 CA--C 1.509 -0.617 0 CA-C-O 121.084 0.468 . . . . 0.0 110.097 176.575 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.7 tp -61.04 -48.74 80.38 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.088 178.192 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -65.76 -41.45 92.07 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-O 120.68 0.276 . . . . 0.0 111.602 176.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . 0.486 ' CB ' ' SD ' ' B' ' 85' ' ' MET . . . -63.52 -41.66 98.49 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.873 -176.454 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.94 30.28 7.34 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.856 0.36 . . . . 0.0 111.196 -177.749 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 59.0 tttp -61.48 -42.7 99.18 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.345 -176.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -64.54 -27.96 69.32 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.007 -177.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 58.5 t -63.74 130.5 28.66 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 -176.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.499 ' CG ' ' HZ2' ' B' ' 56' ' ' LYS . 37.4 t70 -60.72 -36.68 79.44 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.027 -178.331 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . 0.4 ' O ' HG21 ' B' ' 57' ' ' VAL . . . -53.6 -28.36 31.97 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.297 179.6 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.463 ' CG1' ' N ' ' B' ' 55' ' ' ASP . 0.3 OUTLIER -59.15 -47.49 90.01 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 C-N-CA 119.929 -0.709 . . . . 0.0 109.149 178.296 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.463 ' N ' ' CG1' ' B' ' 54' ' ' VAL . 28.5 t70 -63.82 -44.95 91.7 Favored 'General case' 0 CA--C 1.492 -1.281 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 175.497 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . 0.499 ' HZ2' ' CG ' ' B' ' 52' ' ' ASP . 41.6 mmtm -63.59 -42.33 98.28 Favored 'General case' 0 N--CA 1.437 -1.125 0 CA-C-N 115.106 -0.952 . . . . 0.0 111.19 -172.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . 0.438 HG13 ' CD1' ' B' ' 77' ' ' LEU . 98.2 t -61.05 -45.7 98.07 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 C-N-CA 119.39 -0.924 . . . . 0.0 108.879 176.018 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 13.2 mmm -61.12 -42.49 98.64 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 177.142 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' B' ' 55' ' ' ASP . 1.1 tppm? -65.36 -44.93 86.08 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.138 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . 0.406 ' HG3' ' O ' ' B' ' 56' ' ' LYS . 96.2 mt-10 -66.31 -40.92 90.27 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.321 -178.674 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -76.92 -7.81 56.23 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.983 -177.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -63.59 -35.65 81.2 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 173.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -61.81 -37.74 85.52 Favored 'General case' 0 CA--C 1.508 -0.642 0 CA-C-N 115.342 -0.844 . . . . 0.0 109.708 177.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.575 ' C ' ' H ' ' B' ' 66' ' ' ASP . 12.2 m120 -62.72 -14.59 46.14 Favored 'General case' 0 C--N 1.308 -1.218 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.511 -179.339 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.421 ' N ' ' HE3' ' B' ' 30' ' ' LYS . . . -73.14 29.69 0.8 Allowed Glycine 0 CA--C 1.527 0.791 0 N-CA-C 110.226 -1.15 . . . . 0.0 110.226 173.279 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.575 ' H ' ' C ' ' B' ' 64' ' ' ASN . 24.2 t70 -60.12 -40.45 89.78 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-O 121.335 0.588 . . . . 0.0 109.761 -179.417 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -151.88 -59.76 0.01 OUTLIER Glycine 0 C--N 1.316 -0.582 0 N-CA-C 108.795 -1.722 . . . . 0.0 108.795 175.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -136.45 173.47 11.67 Favored 'General case' 0 C--N 1.315 -0.892 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 173.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.5 p -120.79 124.17 71.8 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.988 0 N-CA-C 107.805 -1.184 . . . . 0.0 107.805 172.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.12 -178.52 5.0 Favored 'General case' 0 C--N 1.316 -0.879 0 C-N-CA 119.592 -0.843 . . . . 0.0 111.746 -174.035 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -60.05 -44.23 94.83 Favored 'General case' 0 C--N 1.308 -1.197 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.457 -178.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.45 -44.46 89.24 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.33 178.332 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.423 ' CD ' ' ND2' ' B' ' 64' ' ' ASN . 97.3 mt-10 -69.85 -35.82 75.04 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.407 0.622 . . . . 0.0 110.768 176.546 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 30.4 t80 -60.98 -46.04 92.33 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.492 177.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 35.8 m -64.57 -38.15 81.89 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.326 0 C-N-CA 120.403 -0.519 . . . . 0.0 112.079 -176.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 26.9 m -63.6 -38.89 83.44 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.635 0 C-N-CA 120.096 -0.642 . . . . 0.0 111.083 -179.453 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . 0.438 ' CD1' HG13 ' B' ' 57' ' ' VAL . 44.5 tp -61.32 -48.15 82.67 Favored 'General case' 0 CA--C 1.515 -0.377 0 C-N-CA 120.491 -0.483 . . . . 0.0 110.542 179.742 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 34.7 m -69.89 -45.42 76.98 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 C-N-CA 119.849 -0.74 . . . . 0.0 110.685 174.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.07 -46.62 88.3 Favored 'General case' 0 CA--C 1.509 -0.616 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -178.334 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.62 -41.65 90.9 Favored 'General case' 0 N--CA 1.446 -0.647 0 C-N-CA 120.31 -0.556 . . . . 0.0 109.631 -177.365 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 96.5 mt -65.13 -41.39 94.86 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.423 0.63 . . . . 0.0 109.469 173.019 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.506 ' HA ' ' CE2' ' B' ' 44' ' ' PHE . 21.1 m -61.35 -50.2 73.87 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.682 -178.494 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 14.8 p -63.55 -42.16 95.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 C-N-CA 120.376 -0.529 . . . . 0.0 109.793 178.128 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.48 -52.63 64.62 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.36 178.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 85' ' ' MET . . . . . 0.504 ' SD ' ' HA ' ' B' ' 44' ' ' PHE . 37.3 ttp -65.93 -38.99 90.09 Favored 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 177.76 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . 0.477 HD22 ' CD2' ' A' ' 16' ' ' HIS . 26.4 t30 -59.03 -41.41 87.71 Favored 'General case' 0 CA--C 1.508 -0.641 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.825 179.094 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.34 -42.93 96.71 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 178.182 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.549 ' O ' ' N ' ' B' ' 92' ' ' ASN . 31.8 m-85 -67.88 -33.38 74.63 Favored 'General case' 0 C--O 1.215 -0.735 0 CA-C-N 115.417 -0.81 . . . . 0.0 111.881 174.075 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . 0.416 ' N ' ' O ' ' B' ' 85' ' ' MET . 3.9 t80 -53.15 -47.81 68.46 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 -173.724 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . 0.419 ' NE1' ' CE1' ' A' ' 16' ' ' HIS . 28.2 m95 -78.79 -38.51 38.21 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.823 177.325 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -90.14 6.81 41.0 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -174.601 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . 0.549 ' N ' ' O ' ' B' ' 88' ' ' PHE . 4.4 t-20 -59.65 114.98 3.02 Favored 'General case' 0 CA--C 1.505 -0.779 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 -177.308 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.204 -1.316 0 CA-C-O 118.13 -0.938 . . . . 0.0 110.175 -177.791 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.6 m . . . . . 0 C--O 1.248 0.989 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -57.61 -43.66 84.89 Favored 'General case' 0 CA--C 1.51 -0.582 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.887 HD13 ' CD2' ' B' ' 11' ' ' LEU . 0.2 OUTLIER -61.2 -44.18 97.7 Favored 'General case' 0 CA--C 1.5 -0.964 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.303 177.883 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -61.8 -45.91 91.8 Favored 'General case' 0 N--CA 1.432 -1.339 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.0 m -64.29 -48.95 73.71 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.707 175.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.29 -48.8 80.27 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.944 0.402 . . . . 0.0 110.642 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.513 ' HG2' ' O ' ' A' ' 4' ' ' LEU . 97.5 mmm -64.41 -40.58 96.06 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.652 -179.173 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.423 ' O ' ' HB ' ' A' ' 12' ' ' ILE . 91.4 mt-10 -65.14 -36.75 85.24 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.236 -0.586 . . . . 0.0 110.588 175.862 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 19.3 m -59.52 -42.07 91.4 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 176.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.662 HD23 HD12 ' B' ' 4' ' ' LEU . 89.3 mt -61.66 -40.55 95.32 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 173.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.51 HD13 ' CD1' ' A' ' 71' ' ' PHE . 19.4 mm -62.01 -43.73 98.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.811 178.183 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 -60.73 -45.46 94.2 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 120.659 -0.416 . . . . 0.0 109.984 -177.772 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 1.064 HG21 HD21 ' B' ' 4' ' ' LEU . 53.3 t -65.09 -45.37 94.48 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.685 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.344 175.539 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.477 ' CE1' ' HB2' ' A' ' 28' ' ' LEU . 83.9 t80 -59.29 -47.58 84.84 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 177.745 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -58.43 -42.64 87.76 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.966 176.766 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.79 -50.15 73.18 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.564 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.598 ' CD2' HD13 ' A' ' 36' ' ' LEU . 88.1 m-70 -69.23 -40.68 77.79 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.538 178.341 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 36.0 m -57.48 -39.2 75.87 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 120.059 -0.656 . . . . 0.0 109.676 178.012 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.22 -43.07 98.83 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 109.662 -1.375 . . . . 0.0 109.662 175.303 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -67.06 -44.34 80.39 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 121.263 -0.175 . . . . 0.0 111.367 178.676 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.76 -35.51 80.27 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 120.235 -0.586 . . . . 0.0 110.892 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 119.2 -23.55 8.55 Favored Glycine 0 N--CA 1.461 0.348 0 C-N-CA 121.383 -0.437 . . . . 0.0 113.272 172.498 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -69.6 150.62 46.87 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 117.639 0.719 . . . . 0.0 110.715 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 35.3 pttt -60.33 -34.82 74.37 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 176.636 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -168.12 90.67 0.3 Allowed 'General case' 0 N--CA 1.446 -0.655 0 CA-C-O 121.775 0.798 . . . . 0.0 110.913 169.797 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.575 ' CE ' ' HB3' ' A' ' 70' ' ' ASP . 29.4 mmmt -164.44 165.69 21.24 Favored 'General case' 0 C--N 1.313 -1.005 0 N-CA-C 105.904 -1.887 . . . . 0.0 105.904 171.624 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.574 ' HB3' ' O ' ' A' ' 69' ' ' VAL . 31.4 tp -124.72 125.46 44.11 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 175.755 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.1 m -82.0 157.48 24.2 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 177.296 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.469 ' HD3' HG12 ' A' ' 69' ' ' VAL . 20.0 mmtp -65.73 -5.88 9.97 Favored 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 120.3 -0.56 . . . . 0.0 109.774 179.514 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 62.7 mttm -63.19 -46.05 88.91 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.517 ' HB2' HD11 ' A' ' 28' ' ' LEU . 58.9 mm-40 -89.05 -38.04 14.69 Favored 'General case' 0 N--CA 1.44 -0.944 0 CA-C-N 113.65 -1.613 . . . . 0.0 111.701 -175.56 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.827 HD11 ' CD2' ' A' ' 77' ' ' LEU . 3.2 tm? -56.99 -45.16 83.17 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.74 -0.664 . . . . 0.0 112.04 -167.322 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.56 -44.69 89.92 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 118.819 -1.152 . . . . 0.0 109.843 178.616 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.434 ' O ' ' OG1' ' A' ' 39' ' ' THR . 76.9 mt-10 -64.99 -46.54 81.03 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 179.429 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.598 HD13 ' CD2' ' A' ' 18' ' ' HIS . 4.4 tp -62.07 -51.47 67.84 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.176 -0.92 . . . . 0.0 111.774 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.789 HD21 HD12 ' A' ' 81' ' ' LEU . 2.7 tm? -63.97 -46.09 86.21 Favored 'General case' 0 C--N 1.305 -1.352 0 C-N-CA 119.483 -0.887 . . . . 0.0 111.83 -175.708 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -66.71 -39.2 87.93 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.302 -0.559 . . . . 0.0 110.714 178.704 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.434 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 59.6 m -70.56 -60.23 2.38 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.386 -177.413 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.445 ' CD ' HD12 ' A' ' 36' ' ' LEU . 14.9 mp0 -62.87 -36.81 84.5 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 -176.079 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.489 HD22 HD21 ' A' ' 37' ' ' LEU . 10.2 mp -99.46 39.36 1.31 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.776 0.322 . . . . 0.0 110.777 178.176 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 60.4 m -57.89 -44.55 86.81 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 120.209 -0.596 . . . . 0.0 111.594 -175.467 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -66.74 -43.64 91.33 Favored Glycine 0 C--N 1.32 -0.356 0 N-CA-C 111.231 -0.747 . . . . 0.0 111.231 179.161 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -64.3 -45.87 86.05 Favored 'General case' 0 CA--C 1.496 -1.099 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 178.125 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.489 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 40.5 tp -62.03 -47.14 86.08 Favored 'General case' 0 N--CA 1.429 -1.48 0 CA-C-N 114.831 -1.077 . . . . 0.0 111.09 176.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.508 ' HA ' ' HE3' ' A' ' 49' ' ' LYS . 28.4 t70 -62.09 -36.79 82.77 Favored 'General case' 0 CA--C 1.506 -0.722 0 CA-C-O 120.857 0.36 . . . . 0.0 110.264 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.411 ' HB3' ' HG3' ' A' ' 85' ' ' MET . . . -63.39 -25.0 68.09 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.339 176.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.559 ' NE2' ' HB ' ' A' ' 54' ' ' VAL . 0.0 OUTLIER -147.83 46.57 1.1 Allowed 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 -175.066 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.508 ' HE3' ' HA ' ' A' ' 46' ' ' ASP . 76.5 mttt -62.78 -44.11 97.04 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 120.995 0.426 . . . . 0.0 111.076 176.491 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -82.04 -8.7 59.68 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.75 -0.659 . . . . 0.0 112.4 -175.19 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.827 ' O ' HG12 ' A' ' 54' ' ' VAL . 72.9 t -68.2 135.96 27.43 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 -178.244 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.479 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 34.4 t70 -59.99 -36.31 76.9 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 120.991 0.424 . . . . 0.0 110.935 -175.377 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.564 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -52.77 -42.51 65.08 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.425 -177.034 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.827 HG12 ' O ' ' A' ' 51' ' ' VAL . 7.2 p -60.28 -38.31 76.98 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.301 0 C-N-CA 119.671 -0.812 . . . . 0.0 111.207 -179.097 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -60.73 -54.26 47.44 Favored 'General case' 0 CA--C 1.509 -0.619 0 CA-C-O 121.684 0.754 . . . . 0.0 109.944 178.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.479 ' NZ ' ' OD2' ' A' ' 52' ' ' ASP . 61.7 mttp -65.82 -42.41 90.63 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-N 114.785 -1.098 . . . . 0.0 111.253 -179.739 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 53' ' ' ALA . 55.8 t -63.33 -45.13 98.98 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 179.067 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 45.3 ttm -61.05 -48.62 80.91 Favored 'General case' 0 N--CA 1.432 -1.326 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.407 177.645 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.7 tttm -72.3 -44.68 62.37 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 113.792 1.034 . . . . 0.0 113.792 -177.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -52.06 -18.24 1.35 Allowed 'General case' 0 C--N 1.31 -1.131 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -176.534 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.604 ' HG ' HD13 ' A' ' 77' ' ' LEU . 2.3 mm? -80.8 -7.65 59.47 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.102 176.112 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 65' ' ' GLY . 59.9 m-20 -61.95 -35.79 79.51 Favored 'General case' 0 CA--C 1.509 -0.607 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 175.414 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -59.49 -36.04 75.27 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 176.036 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.425 ' O ' ' HE3' ' A' ' 30' ' ' LYS . 4.8 m-20 -84.1 9.79 11.72 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.206 174.727 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . -89.0 13.03 64.26 Favored Glycine 0 N--CA 1.452 -0.299 0 N-CA-C 108.377 -1.889 . . . . 0.0 108.377 172.166 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -55.98 -44.33 78.45 Favored 'General case' 0 CA--C 1.509 -0.615 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 -179.563 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -140.74 -69.48 0.04 OUTLIER Glycine 0 C--N 1.312 -0.773 0 N-CA-C 108.737 -1.745 . . . . 0.0 108.737 175.825 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.499 ' N ' ' CD ' ' A' ' 68' ' ' GLU . 0.5 OUTLIER -143.55 -179.12 6.24 Favored 'General case' 0 C--N 1.314 -0.935 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 175.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.846 HG23 ' CB ' ' A' ' 73' ' ' GLU . 2.0 p -126.64 136.1 61.79 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.248 0 N-CA-C 106.94 -1.504 . . . . 0.0 106.94 176.053 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.575 ' HB3' ' CE ' ' A' ' 27' ' ' LYS . 1.4 p30 -122.79 -161.63 0.96 Allowed 'General case' 0 CA--C 1.494 -1.181 0 C-N-CA 119.751 -0.779 . . . . 0.0 112.786 -179.216 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.801 ' O ' HG22 ' A' ' 75' ' ' VAL . 45.7 t80 -59.0 -44.58 91.7 Favored 'General case' 0 C--N 1.31 -1.121 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 -173.113 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.478 ' HG3' HG11 ' B' ' 83' ' ' VAL . 36.9 mt-30 -61.09 -44.86 96.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.187 177.866 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.846 ' CB ' HG23 ' A' ' 69' ' ' VAL . 2.1 mp0 -69.68 -42.07 74.64 Favored 'General case' 0 CA--C 1.548 0.891 0 CA-C-O 121.46 0.648 . . . . 0.0 110.438 176.638 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.545 ' CE1' HD21 ' A' ' 36' ' ' LEU . 31.4 t80 -62.68 -47.89 81.71 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 115.586 -0.734 . . . . 0.0 112.549 -177.049 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.827 HG21 ' CB ' ' B' ' 79' ' ' ALA . 13.2 m -61.7 -42.94 96.22 Favored 'Isoleucine or valine' 0 C--O 1.237 0.415 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -176.546 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 8.2 p -63.52 -39.3 84.82 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.735 0 C-N-CA 120.099 -0.64 . . . . 0.0 110.358 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.827 ' CD2' HD11 ' A' ' 33' ' ' LEU . 53.5 tp -62.1 -48.04 81.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.948 -178.428 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.702 HG12 HD23 ' A' ' 37' ' ' LEU . 9.5 m -68.66 -41.81 82.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 C-N-CA 120.025 -0.67 . . . . 0.0 110.528 177.124 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.917 ' CB ' HG21 ' B' ' 75' ' ' VAL . . . -62.43 -40.0 95.17 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.737 178.713 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.92 -47.35 83.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.233 0.54 . . . . 0.0 109.647 179.218 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.789 HD12 HD21 ' A' ' 37' ' ' LEU . 97.5 mt -63.59 -40.89 98.09 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.818 175.063 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.423 HG21 ' HB3' ' B' ' 8' ' ' MET . 20.9 m -60.08 -50.19 74.67 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.395 -178.185 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.594 HG23 ' HH2' ' A' ' 90' ' ' TRP . 10.4 p -62.77 -42.65 97.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 C-N-CA 120.367 -0.533 . . . . 0.0 110.315 178.019 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -58.39 -50.85 72.2 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-O 120.965 0.412 . . . . 0.0 110.149 177.562 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.411 ' HG3' ' HB3' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -70.91 -46.87 61.76 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.277 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.496 ' O ' ' HB2' ' A' ' 89' ' ' PHE . 9.5 m120 -66.9 -21.72 65.99 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.556 -178.577 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.552 ' HA ' ' CE3' ' A' ' 90' ' ' TRP . 20.7 t-20 -56.52 -38.55 71.98 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 174.552 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -63.8 -38.0 89.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.551 174.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.496 ' HB2' ' O ' ' A' ' 86' ' ' ASN . 7.2 m-85 -57.89 -46.13 85.36 Favored 'General case' 0 CA--C 1.508 -0.656 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.681 179.381 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.594 ' HH2' HG23 ' A' ' 83' ' ' VAL . 2.0 m0 . . . . . 0 C--N 1.308 -1.219 0 CA-C-O 121.335 0.588 . . . . 0.0 110.4 -176.686 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 2' ' ' SER . . . . . 0.408 ' N ' ' OE2' ' B' ' 5' ' ' GLU . 3.9 m . . . . . 0 C--O 1.247 0.971 0 CA-C-O 121.155 0.502 . . . . 0.0 111.103 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 3' ' ' GLU . . . . . 0.477 ' H ' ' CD ' ' B' ' 3' ' ' GLU . 1.8 mp0 -57.62 -41.04 80.5 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 1.064 HD21 HG21 ' A' ' 14' ' ' VAL . 1.4 mm? -62.14 -43.51 98.67 Favored 'General case' 0 CA--C 1.503 -0.83 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 178.46 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 5' ' ' GLU . . . . . 0.449 ' CG ' ' HA ' ' A' ' 41' ' ' LEU . 43.6 mt-10 -62.96 -42.64 99.88 Favored 'General case' 0 N--CA 1.437 -1.078 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 -179.744 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 7.2 m -61.52 -46.31 90.52 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.25 -0.887 . . . . 0.0 109.028 174.387 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.27 -47.09 84.72 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.796 178.338 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 8' ' ' MET . . . . . 0.662 ' SD ' HD12 ' B' ' 11' ' ' LEU . 96.2 mmm -63.61 -40.67 97.52 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.691 179.074 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -62.67 -38.7 91.4 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 119.673 -0.811 . . . . 0.0 109.201 174.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 7.6 m -58.95 -43.17 91.2 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 177.409 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.887 ' CD2' HD13 ' A' ' 4' ' ' LEU . 97.6 mt -62.41 -42.06 99.15 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 176.42 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.487 HD13 ' CD1' ' B' ' 71' ' ' PHE . 21.2 mm -63.04 -44.61 99.7 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 28.9 m120 -61.64 -42.67 99.22 Favored 'General case' 0 CA--C 1.503 -0.842 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.883 -177.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.71 HG21 HD21 ' A' ' 4' ' ' LEU . 70.1 t -64.87 -44.93 96.21 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.678 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.915 175.297 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -58.06 -47.49 82.99 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 178.05 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -63.99 -37.6 88.02 Favored 'General case' 0 C--O 1.24 0.59 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.772 176.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.529 ' O ' ' HG2' ' B' ' 21' ' ' LYS . . . -53.62 -34.34 58.14 Favored 'General case' 0 CA--C 1.511 -0.526 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 179.128 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.518 ' NE2' HD13 ' B' ' 36' ' ' LEU . 94.6 m-70 -88.51 -35.6 16.89 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 179.626 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 68.9 m -54.92 -40.05 69.47 Favored 'General case' 0 C--O 1.242 0.672 0 CA-C-O 121.265 0.555 . . . . 0.0 109.666 178.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.62 -38.23 95.95 Favored Glycine 0 N--CA 1.45 -0.43 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 178.179 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' LYS . . . . . 0.529 ' HG2' ' O ' ' B' ' 17' ' ' ALA . 15.6 mmtp -64.3 -48.66 74.82 Favored 'General case' 0 C--O 1.238 0.5 0 CA-C-O 121.059 0.457 . . . . 0.0 109.875 -177.549 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.596 ' CD ' ' H ' ' B' ' 29' ' ' SER . 99.1 mt-10 -69.73 -40.38 76.25 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.128 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 113.52 47.89 0.62 Allowed Glycine 0 CA--C 1.516 0.098 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.853 175.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -131.27 149.4 52.58 Favored 'General case' 0 CA--C 1.509 -0.606 0 CA-C-N 116.785 0.292 . . . . 0.0 110.34 176.524 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.4 ' HE2' ' CZ ' ' B' ' 26' ' ' TYR . 20.7 pttm -61.86 -39.8 93.15 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 177.176 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.465 ' CG ' ' CE3' ' A' ' 90' ' ' TRP . 1.6 p90 -162.4 93.76 0.86 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.961 171.884 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.478 ' NZ ' ' OE1' ' B' ' 68' ' ' GLU . 2.2 mmtm -163.64 158.68 20.8 Favored 'General case' 0 CA--C 1.498 -1.054 0 CA-C-N 115.171 -0.922 . . . . 0.0 109.056 172.464 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.527 HD21 HD23 ' B' ' 33' ' ' LEU . 45.8 tp -126.04 136.6 53.13 Favored 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 172.163 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.596 ' H ' ' CD ' ' B' ' 22' ' ' GLU . 1.4 m -106.33 167.59 9.72 Favored 'General case' 0 C--N 1.305 -1.34 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 179.182 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.462 ' NZ ' ' O ' ' B' ' 61' ' ' LEU . 13.5 mmmm -66.93 -3.28 6.64 Favored 'General case' 0 C--N 1.313 -0.982 0 C-N-CA 120.124 -0.63 . . . . 0.0 111.763 -176.79 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.451 ' HD2' ' HG2' ' B' ' 22' ' ' GLU . 0.5 OUTLIER -81.92 -60.8 2.11 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -178.834 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.49 ' O ' ' HB3' ' B' ' 36' ' ' LEU . 58.2 mm-40 -65.76 -35.96 82.21 Favored 'General case' 0 CA--C 1.507 -0.682 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 175.443 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.887 HD21 HD23 ' B' ' 77' ' ' LEU . 2.4 tm? -56.84 -44.4 82.08 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.756 -171.48 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.427 ' HG3' ' O ' ' B' ' 30' ' ' LYS . 46.8 mttp -62.56 -45.61 92.15 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 119.668 -0.813 . . . . 0.0 109.38 -178.48 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -70.04 -42.97 72.2 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 114.789 -1.096 . . . . 0.0 109.99 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.778 HD21 ' CE1' ' B' ' 74' ' ' TYR . 2.5 tp -60.6 -47.53 85.81 Favored 'General case' 0 C--N 1.309 -1.17 0 CA-C-N 115.428 -0.805 . . . . 0.0 111.435 178.518 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.694 HD23 HG12 ' B' ' 78' ' ' VAL . 2.8 tm? -62.78 -45.96 90.2 Favored 'General case' 0 C--N 1.314 -0.946 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.895 -177.541 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.417 ' HG3' ' N ' ' B' ' 39' ' ' THR . 13.8 pt20 -65.81 -40.12 91.57 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.071 -0.652 . . . . 0.0 110.515 176.206 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.417 ' N ' ' HG3' ' B' ' 38' ' ' GLN . 79.3 m -62.25 -52.32 64.21 Favored 'General case' 0 C--O 1.241 0.625 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.271 -176.464 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.509 ' HB3' ' HB2' ' A' ' 4' ' ' LEU . 76.2 mm-40 -71.92 -43.93 64.49 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 -178.192 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.408 ' HB3' ' HB2' ' B' ' 44' ' ' PHE . 10.7 mp -95.43 40.23 1.11 Allowed 'General case' 0 C--N 1.308 -1.207 0 CA-C-O 121.056 0.455 . . . . 0.0 111.008 -178.197 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 55.8 m -52.58 -42.01 64.13 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.479 179.213 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.78 -47.07 57.92 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.562 -0.615 . . . . 0.0 111.562 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.578 ' HA ' ' SD ' ' B' ' 85' ' ' MET . 77.2 m-85 -68.26 -40.65 81.83 Favored 'General case' 0 CA--C 1.499 -0.982 0 CA-C-O 121.323 0.582 . . . . 0.0 110.226 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.542 ' O ' HD12 ' B' ' 45' ' ' LEU . 6.6 tp -60.23 -48.61 81.01 Favored 'General case' 0 N--CA 1.435 -1.205 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.255 -178.625 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -67.39 -38.29 84.45 Favored 'General case' 0 C--N 1.309 -1.18 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -178.685 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 47' ' ' ALA . . . . . 0.869 ' HB3' ' SD ' ' B' ' 85' ' ' MET . . . -65.16 -41.51 94.61 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.557 0.577 . . . . 0.0 112.557 -176.022 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.546 ' HB2' ' HB ' ' B' ' 51' ' ' VAL . 0.7 OUTLIER -117.49 48.56 1.33 Allowed 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 121.167 0.508 . . . . 0.0 111.951 -177.384 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 15.6 mtpt -64.65 -43.58 93.17 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.194 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 41.5 p-10 -91.93 -1.81 57.1 Favored 'General case' 0 CA--C 1.509 -0.604 0 CA-C-N 114.992 -1.004 . . . . 0.0 111.255 -174.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 51' ' ' VAL . . . . . 0.747 ' O ' HG12 ' B' ' 54' ' ' VAL . 86.5 t -76.92 136.83 23.69 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.109 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.111 -179.42 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -58.71 -42.01 87.64 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.328 -177.308 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.427 ' H ' HG12 ' B' ' 51' ' ' VAL . . . -49.74 -40.9 42.46 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.729 -0.669 . . . . 0.0 112.232 -174.261 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.747 HG12 ' O ' ' B' ' 51' ' ' VAL . 11.7 p -60.56 -42.79 92.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 C-N-CA 120.077 -0.649 . . . . 0.0 110.288 -177.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -60.85 -46.55 90.13 Favored 'General case' 0 CA--C 1.5 -0.971 0 CA-C-O 121.377 0.608 . . . . 0.0 109.785 176.769 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 14.9 mmtp -63.52 -43.55 96.85 Favored 'General case' 0 N--CA 1.44 -0.975 0 CA-C-N 115.182 -0.917 . . . . 0.0 109.292 -174.354 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.541 ' CG1' HD12 ' B' ' 77' ' ' LEU . 66.7 t -65.96 -43.14 92.86 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.451 174.608 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 34.6 mmm -59.88 -46.02 90.64 Favored 'General case' 0 CA--C 1.506 -0.737 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 59' ' ' LYS . . . . . 0.555 ' HA ' ' HB2' ' B' ' 62' ' ' ASP . 0.0 OUTLIER -65.35 -42.44 92.82 Favored 'General case' 0 N--CA 1.429 -1.498 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.942 176.509 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 60' ' ' GLU . . . . . 0.401 ' O ' ' HB2' ' B' ' 63' ' ' GLU . 41.1 tt0 -60.2 -41.54 93.17 Favored 'General case' 0 C--N 1.313 -0.997 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.873 ' HG ' HD13 ' B' ' 77' ' ' LEU . 3.1 mm? -65.27 -33.86 76.97 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.473 170.756 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.555 ' HB2' ' HA ' ' B' ' 59' ' ' LYS . 32.7 m-20 -63.04 -38.1 89.84 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 175.637 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 63' ' ' GLU . . . . . 0.488 ' HG2' ' O ' ' B' ' 59' ' ' LYS . 78.9 mm-40 -62.72 -44.39 96.34 Favored 'General case' 0 CA--C 1.511 -0.54 0 N-CA-C 106.963 -1.495 . . . . 0.0 106.963 176.255 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 64' ' ' ASN . . . . . 0.535 HD21 ' CD ' ' B' ' 73' ' ' GLU . 21.6 t-20 -82.05 36.07 0.45 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.937 -1.029 . . . . 0.0 108.672 171.507 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 65' ' ' GLY . . . . . 0.452 ' H ' ' C ' ' B' ' 63' ' ' GLU . . . -107.94 20.99 30.44 Favored Glycine 0 CA--C 1.496 -1.147 0 N-CA-C 109.843 -1.303 . . . . 0.0 109.843 -177.583 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -60.53 -43.11 97.53 Favored 'General case' 0 N--CA 1.441 -0.876 0 CA-C-N 115.447 -0.376 . . . . 0.0 110.178 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -171.9 -83.46 0.05 OUTLIER Glycine 0 C--N 1.317 -0.489 0 C-N-CA 120.807 -0.711 . . . . 0.0 111.508 177.36 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.478 ' OE1' ' NZ ' ' B' ' 27' ' ' LYS . 89.3 mt-10 -91.21 152.25 20.61 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.363 -0.418 . . . . 0.0 110.524 -176.841 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.554 HG23 ' HB3' ' B' ' 73' ' ' GLU . 1.5 p -127.46 128.0 69.44 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 173.006 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.436 ' CG ' ' N ' ' B' ' 71' ' ' PHE . 0.0 OUTLIER -94.6 -176.78 4.01 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 120.566 -0.453 . . . . 0.0 111.47 -174.697 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.487 ' CD1' HD13 ' B' ' 12' ' ' ILE . 63.3 t80 -61.37 -45.37 94.66 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.145 -177.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.441 ' HG3' HG11 ' A' ' 83' ' ' VAL . 36.9 mt-30 -61.96 -41.55 98.13 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.171 177.41 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.554 ' HB3' HG23 ' B' ' 69' ' ' VAL . 70.2 mt-10 -67.24 -41.14 86.14 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-O 121.369 0.604 . . . . 0.0 109.88 176.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 74' ' ' TYR . . . . . 0.778 ' CE1' HD21 ' B' ' 36' ' ' LEU . 37.1 t80 -61.83 -48.42 80.65 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.385 178.536 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.917 HG21 ' CB ' ' A' ' 79' ' ' ALA . 33.8 m -63.5 -39.58 85.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 C-N-CA 119.992 -0.683 . . . . 0.0 112.156 -175.739 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.467 HG12 ' O ' ' B' ' 73' ' ' GLU . 8.6 p -64.13 -36.73 77.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.81 -178.798 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.887 HD23 HD21 ' B' ' 33' ' ' LEU . 50.0 tp -60.9 -49.12 78.77 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.555 178.193 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.694 HG12 HD23 ' B' ' 37' ' ' LEU . 18.9 m -69.72 -41.22 79.95 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 C-N-CA 120.151 -0.62 . . . . 0.0 110.549 177.137 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.827 ' CB ' HG21 ' A' ' 75' ' ' VAL . . . -61.4 -49.46 76.81 Favored 'General case' 0 CA--C 1.508 -0.669 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.524 179.276 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.08 -46.8 84.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.112 0.482 . . . . 0.0 110.007 -178.409 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.531 ' CD1' HD11 ' B' ' 37' ' ' LEU . 98.2 mt -63.37 -41.99 98.84 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.831 176.118 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.478 HG23 ' CZ ' ' B' ' 44' ' ' PHE . 94.6 m -61.08 -51.34 69.57 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.808 -179.249 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.478 HG11 ' HG3' ' A' ' 72' ' ' GLN . 9.8 p -64.17 -42.43 95.52 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.507 0 C-N-CA 120.893 -0.323 . . . . 0.0 111.011 178.519 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -51.51 -53.72 34.67 Favored 'General case' 0 CA--C 1.505 -0.755 0 C-N-CA 120.314 -0.555 . . . . 0.0 109.528 -177.153 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 85' ' ' MET . . . . . 0.869 ' SD ' ' HB3' ' B' ' 47' ' ' ALA . 34.2 ttp -70.59 -45.82 64.59 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.241 177.383 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 86' ' ' ASN . . . . . 0.449 ' HB2' ' O ' ' B' ' 82' ' ' THR . 4.1 t-20 -61.52 -35.59 78.14 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.732 -175.712 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 35.9 t30 -57.68 -39.85 78.09 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 176.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -63.56 -36.99 85.62 Favored 'General case' 0 C--O 1.215 -0.719 0 C-N-CA 120.284 -0.566 . . . . 0.0 109.683 173.294 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 89' ' ' PHE . . . . . 0.408 ' HB2' ' O ' ' B' ' 86' ' ' ASN . 11.0 m-85 . . . . . 0 N--CA 1.467 0.423 0 C-N-CA 120.818 -0.353 . . . . 0.0 111.062 176.257 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 4' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--O 1.241 0.658 0 CA-C-O 120.513 0.196 . . . . 0.0 110.958 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.518 ' CD ' ' H ' ' A' ' 3' ' ' GLU . 50.2 mp0 -41.87 -22.4 0.02 OUTLIER 'General case' 0 C--O 1.225 -0.188 0 C-N-CA 123.212 0.605 . . . . 0.0 111.154 179.589 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.779 HD21 HG21 ' B' ' 14' ' ' VAL . 4.2 mm? -59.94 -43.97 94.64 Favored 'General case' 0 N--CA 1.444 -0.731 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 -178.503 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -67.25 -43.54 81.68 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.151 -0.62 . . . . 0.0 111.116 178.555 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.7 m -60.2 -45.84 91.79 Favored 'General case' 0 C--O 1.244 0.777 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 176.71 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.43 -50.05 74.26 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 109.823 177.785 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.445 ' HG2' ' O ' ' A' ' 4' ' ' LEU . 94.5 mmm -64.98 -42.7 94.3 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.469 -0.492 . . . . 0.0 110.689 177.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -63.45 -36.67 84.53 Favored 'General case' 0 CA--C 1.51 -0.587 0 C-N-CA 120.108 -0.637 . . . . 0.0 110.983 178.48 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 18.9 m -58.4 -45.03 89.18 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 175.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.882 HD11 ' SD ' ' B' ' 8' ' ' MET . 82.0 mt -62.59 -41.82 99.2 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.11 174.451 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 18.8 mm -62.54 -44.33 99.23 Favored 'Isoleucine or valine' 0 C--O 1.239 0.549 0 CA-C-O 120.962 0.41 . . . . 0.0 109.974 -179.171 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 20.3 m120 -61.55 -44.31 97.27 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.406 -175.431 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.8 HG21 HD11 ' B' ' 4' ' ' LEU . 92.2 t -63.76 -45.41 97.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 176.62 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -59.31 -48.06 83.06 Favored 'General case' 0 C--O 1.24 0.561 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.123 178.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -65.66 -39.94 91.89 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.733 176.779 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.87 -40.88 90.16 Favored 'General case' 0 CA--C 1.515 -0.371 0 C-N-CA 120.446 -0.501 . . . . 0.0 110.221 179.085 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.433 ' HB3' ' CD1' ' A' ' 28' ' ' LEU . 53.6 m-70 -82.44 -14.71 54.65 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.876 177.466 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.411 ' O ' ' N ' ' A' ' 23' ' ' GLY . 62.3 m -58.43 -37.75 76.04 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 120.012 -0.675 . . . . 0.0 110.001 178.031 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -56.48 -20.27 29.83 Favored Glycine 0 CA--C 1.523 0.557 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.693 178.22 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.6 mmtp -62.24 -43.01 99.79 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 122.789 -0.242 . . . . 0.0 110.74 -176.626 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -162.68 -3.13 0.04 OUTLIER 'General case' 0 C--O 1.22 -0.451 0 CA-C-N 116.64 -0.255 . . . . 0.0 111.177 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 19' ' ' SER . . . -60.23 143.42 47.51 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.725 -0.55 . . . . 0.0 111.725 -173.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -60.07 -48.98 79.46 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-O 121.346 0.593 . . . . 0.0 109.764 178.008 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.402 ' C ' ' CD1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -140.92 -72.75 0.35 Allowed 'General case' 0 CA--C 1.492 -1.275 0 N-CA-C 107.182 -1.414 . . . . 0.0 107.182 171.823 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.413 ' C ' ' HG2' ' A' ' 27' ' ' LYS . 0.2 OUTLIER -123.56 91.63 3.51 Favored 'General case' 0 N--CA 1.427 -1.604 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 172.79 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.413 ' HG2' ' C ' ' A' ' 26' ' ' TYR . 3.4 mmmm -158.3 156.54 30.8 Favored 'General case' 0 CA--C 1.498 -1.02 0 N-CA-C 107.125 -1.435 . . . . 0.0 107.125 178.404 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.661 HD11 ' CB ' ' A' ' 32' ' ' GLU . 44.8 tp -124.53 133.51 53.29 Favored 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 179.304 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.404 ' HA ' ' HA ' ' A' ' 68' ' ' GLU . 11.0 p -81.41 158.44 24.61 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 119.523 -0.871 . . . . 0.0 110.125 176.71 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.566 ' CD ' ' HB ' ' A' ' 69' ' ' VAL . 4.0 mmtm -69.68 -6.95 35.02 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 119.477 -0.889 . . . . 0.0 111.713 -175.566 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.436 ' H ' ' HG3' ' A' ' 31' ' ' LYS . 40.0 mttt -66.26 -51.29 58.99 Favored 'General case' 0 CA--C 1.497 -1.092 0 N-CA-C 107.522 -1.288 . . . . 0.0 107.522 179.26 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.661 ' CB ' HD11 ' A' ' 28' ' ' LEU . 68.3 mm-40 -70.88 -33.33 70.49 Favored 'General case' 0 N--CA 1.432 -1.367 0 CA-C-N 113.454 -1.703 . . . . 0.0 110.142 178.535 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.856 HD11 HD22 ' A' ' 77' ' ' LEU . 3.1 tm? -58.26 -51.26 70.49 Favored 'General case' 0 N--CA 1.445 -0.725 0 C-N-CA 120.277 -0.569 . . . . 0.0 109.626 -173.651 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -68.91 -42.47 76.83 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.858 174.543 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -69.35 -42.64 75.0 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.008 -0.542 . . . . 0.0 112.108 -175.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.497 ' O ' HD12 ' A' ' 36' ' ' LEU . 0.2 OUTLIER -80.14 -39.76 28.78 Favored 'General case' 0 C--O 1.239 0.524 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -178.199 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.618 HD13 ' C ' ' A' ' 37' ' ' LEU . 2.9 tm? -61.41 -44.55 96.95 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.521 -0.472 . . . . 0.0 110.666 -175.619 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.425 ' HG3' ' N ' ' A' ' 39' ' ' THR . 8.7 pt20 -59.2 -42.13 90.19 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.294 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.425 ' N ' ' HG3' ' A' ' 38' ' ' GLN . 0.1 OUTLIER -64.74 -53.06 53.05 Favored 'General case' 0 N--CA 1.432 -1.337 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.454 -178.524 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.668 ' HB3' HD12 ' B' ' 4' ' ' LEU . 70.1 mm-40 -70.65 -39.44 73.64 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-N 115.697 -0.683 . . . . 0.0 112.634 -171.689 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.419 HD21 ' HB ' ' A' ' 78' ' ' VAL . 10.9 mp -108.48 36.48 2.81 Favored 'General case' 0 C--O 1.242 0.675 0 CA-C-O 121.037 0.446 . . . . 0.0 109.973 -178.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.23 -34.86 72.7 Favored 'General case' 0 C--N 1.309 -1.172 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.599 -176.325 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.73 -47.07 79.57 Favored Glycine 0 C--O 1.241 0.563 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 178.265 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.497 ' O ' ' HG3' ' A' ' 48' ' ' GLN . 20.8 m-85 -69.29 -44.78 71.11 Favored 'General case' 0 CA--C 1.486 -1.492 0 CA-C-O 121.286 0.565 . . . . 0.0 109.503 176.472 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.548 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 49.1 tp -60.11 -46.45 89.56 Favored 'General case' 0 N--CA 1.423 -1.822 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.262 -178.695 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.487 ' HA ' ' HE3' ' A' ' 49' ' ' LYS . 22.1 t70 -63.96 -36.25 83.35 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 175.806 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.88 -39.49 94.32 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.71 178.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.497 ' HG3' ' O ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -117.66 39.08 3.42 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 114.142 1.164 . . . . 0.0 114.142 -177.972 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.548 ' HG3' ' O ' ' A' ' 45' ' ' LEU . 78.7 mttt -64.05 -38.05 89.68 Favored 'General case' 0 C--N 1.316 -0.88 0 C-N-CA 120.303 -0.559 . . . . 0.0 110.021 173.073 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -89.09 12.03 16.81 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.91 -175.704 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 77.7 t -98.31 132.8 42.62 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 -179.046 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.421 ' OD1' ' NZ ' ' A' ' 56' ' ' LYS . 25.7 t70 -53.14 -44.19 67.56 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.05 0.452 . . . . 0.0 111.323 -176.882 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.683 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -56.17 -24.29 40.47 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 115.641 -0.708 . . . . 0.0 111.539 -177.786 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.564 ' O ' ' HG3' ' A' ' 58' ' ' MET . 1.3 p -58.87 -47.15 90.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 C-N-CA 119.726 -0.79 . . . . 0.0 110.581 -178.899 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.436 ' OD2' ' NZ ' ' A' ' 59' ' ' LYS . 34.1 t70 -71.07 -46.81 61.24 Favored 'General case' 0 CA--C 1.509 -0.6 0 CA-C-O 121.155 0.502 . . . . 0.0 111.686 178.572 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.451 ' CD ' ' N ' ' A' ' 56' ' ' LYS . 0.1 OUTLIER -60.79 -41.7 96.09 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.279 -174.106 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.683 HG23 ' O ' ' A' ' 53' ' ' ALA . 89.6 t -60.99 -46.64 96.26 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.052 0 C-N-CA 119.663 -0.815 . . . . 0.0 109.67 -177.66 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.583 ' O ' ' N ' ' A' ' 62' ' ' ASP . 2.5 mtm -64.12 -39.21 93.55 Favored 'General case' 0 CA--C 1.505 -0.759 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 175.693 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.436 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP . 1.2 tppp? -60.81 -43.81 97.69 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.881 -175.495 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -61.77 -43.02 99.68 Favored 'General case' 0 C--O 1.248 0.996 0 N-CA-C 108.882 -0.785 . . . . 0.0 108.882 174.634 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.624 HD11 ' HB2' ' A' ' 77' ' ' LEU . 88.8 mt -64.39 -41.11 96.85 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.751 177.677 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.583 ' N ' ' O ' ' A' ' 58' ' ' MET . 59.0 m-20 -65.08 -38.37 90.54 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.74 -177.31 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -66.23 -36.47 83.11 Favored 'General case' 0 CA--C 1.52 -0.205 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 175.047 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.476 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . 3.9 m-20 -85.87 12.13 9.86 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 114.739 -1.119 . . . . 0.0 108.623 168.213 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.528 ' N ' ' O ' ' A' ' 61' ' ' LEU . . . -94.53 39.62 2.87 Favored Glycine 0 CA--C 1.496 -1.139 0 N-CA-C 110.688 -0.965 . . . . 0.0 110.688 -176.371 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -61.42 -37.83 84.93 Favored 'General case' 0 N--CA 1.44 -0.94 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 178.137 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -170.79 -57.44 0.04 OUTLIER Glycine 0 CA--C 1.525 0.67 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.334 176.369 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.514 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . 58.6 mt-10 -91.46 156.03 18.01 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 -176.328 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.848 HG11 ' HB2' ' A' ' 33' ' ' LEU . 2.1 p -129.04 127.61 66.17 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.113 0 N-CA-C 106.47 -1.678 . . . . 0.0 106.47 163.284 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.55 ' CG ' ' N ' ' A' ' 71' ' ' PHE . 12.1 t70 -92.97 176.44 6.42 Favored 'General case' 0 C--N 1.308 -1.223 0 C-N-CA 120.22 -0.592 . . . . 0.0 109.718 -179.266 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.694 ' O ' HG22 ' A' ' 75' ' ' VAL . 49.0 t80 -59.06 -41.22 87.4 Favored 'General case' 0 C--N 1.308 -1.212 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 179.013 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -55.87 -44.55 78.21 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.813 -1.085 . . . . 0.0 110.43 177.584 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.78 ' HB2' HG23 ' A' ' 69' ' ' VAL . 77.7 mt-10 -69.99 -40.68 75.18 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 121.494 0.664 . . . . 0.0 109.766 175.83 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.498 ' OH ' HD13 ' B' ' 4' ' ' LEU . 33.0 t80 -61.73 -48.03 82.56 Favored 'General case' 0 C--O 1.242 0.674 0 CA-C-N 115.568 -0.742 . . . . 0.0 112.021 -177.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.939 HG21 ' CB ' ' B' ' 79' ' ' ALA . 14.1 m -62.83 -41.61 93.19 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 C-N-CA 120.242 -0.583 . . . . 0.0 111.899 -177.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.489 HG12 ' O ' ' A' ' 73' ' ' GLU . 14.6 p -64.94 -38.32 82.47 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.64 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.686 179.53 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.856 HD22 HD11 ' A' ' 33' ' ' LEU . 49.0 tp -60.8 -49.04 79.08 Favored 'General case' 0 CA--C 1.507 -0.674 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.604 179.502 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.472 HG12 HD23 ' A' ' 37' ' ' LEU . 24.3 m -68.26 -43.91 84.3 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 C-N-CA 120.006 -0.678 . . . . 0.0 110.476 177.238 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.861 ' CB ' HG21 ' B' ' 75' ' ' VAL . . . -62.6 -46.66 87.27 Favored 'General case' 0 CA--C 1.51 -0.56 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.932 -178.877 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.404 ' HA ' HG12 ' A' ' 83' ' ' VAL . . . -58.09 -47.88 81.86 Favored 'General case' 0 CA--C 1.509 -0.603 0 CA-C-O 121.092 0.472 . . . . 0.0 110.156 -177.328 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.456 ' HB3' ' NE2' ' A' ' 48' ' ' GLN . 93.8 mt -63.17 -41.99 99.33 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.67 177.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.505 HG22 HG13 ' B' ' 12' ' ' ILE . 20.2 m -63.35 -52.6 61.1 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.001 179.063 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.442 HG22 ' ND2' ' A' ' 87' ' ' ASN . 11.3 p -63.57 -41.46 92.72 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.62 0 C-N-CA 120.351 -0.54 . . . . 0.0 110.371 -179.03 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -49.78 -59.56 3.72 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.942 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.543 ' O ' ' N ' ' A' ' 89' ' ' PHE . 89.9 mmm -66.94 -42.96 84.41 Favored 'General case' 0 CA--C 1.501 -0.938 0 N-CA-C 113.449 0.907 . . . . 0.0 113.449 175.509 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.428 ' O ' ' CD1' ' A' ' 90' ' ' TRP . 10.0 m120 -63.01 -44.69 95.27 Favored 'General case' 0 C--N 1.314 -0.935 0 C-N-CA 119.023 -1.071 . . . . 0.0 111.734 -175.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.442 ' ND2' HG22 ' A' ' 83' ' ' VAL . 90.1 m-20 -66.38 -41.88 88.76 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.328 0.585 . . . . 0.0 110.205 175.564 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -61.56 -43.42 98.89 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.669 176.45 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.543 ' N ' ' O ' ' A' ' 85' ' ' MET . 0.5 OUTLIER -46.59 -45.98 19.25 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.963 -173.205 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.541 ' NE1' ' CE1' ' B' ' 16' ' ' HIS . 43.4 m95 . . . . . 0 C--N 1.318 -0.772 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 -178.46 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 17.0 m . . . . . 0 N--CA 1.443 -0.785 0 CA-C-O 120.904 0.383 . . . . 0.0 110.376 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -47.32 -26.44 1.26 Allowed 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 174.776 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.851 HD22 HD23 ' A' ' 11' ' ' LEU . 58.0 mt -62.11 -42.84 99.63 Favored 'General case' 0 N--CA 1.435 -1.213 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.277 -179.389 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -63.0 -43.16 99.54 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 119.871 -0.732 . . . . 0.0 109.09 176.389 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 6' ' ' THR . . . . . 0.424 ' O ' ' N ' ' B' ' 10' ' ' THR . 7.2 m -62.05 -46.91 87.07 Favored 'General case' 0 C--O 1.246 0.884 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.885 176.208 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.51 -47.68 83.32 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.96 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 8' ' ' MET . . . . . 0.882 ' SD ' HD11 ' A' ' 11' ' ' LEU . 88.7 mmm -63.63 -41.63 98.24 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.553 179.015 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -65.41 -37.26 86.4 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 119.872 -0.731 . . . . 0.0 110.274 175.24 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.424 ' N ' ' O ' ' B' ' 6' ' ' THR . 14.3 m -59.48 -44.21 93.1 Favored 'General case' 0 C--O 1.238 0.467 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 176.26 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.59 HD23 ' CD1' ' A' ' 4' ' ' LEU . 85.2 mt -61.91 -41.84 98.38 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.417 176.107 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.505 HG13 HG22 ' A' ' 82' ' ' THR . 19.3 mm -62.52 -43.32 98.26 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.686 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 177.848 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -59.62 -44.09 93.58 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 -176.633 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.779 HG21 HD21 ' A' ' 4' ' ' LEU . 94.8 t -62.73 -48.76 86.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.615 175.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -60.89 -49.31 77.97 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.174 -179.398 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.681 ' CE1' ' HB3' ' B' ' 26' ' ' TYR . 1.9 m-70 -66.24 -38.79 88.71 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.309 178.762 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.17 -47.59 82.93 Favored 'General case' 0 CA--C 1.517 -0.322 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 176.76 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 77.7 m-70 -70.57 -31.56 68.63 Favored 'General case' 0 C--O 1.218 -0.586 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.32 175.675 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.487 ' HB3' ' HA ' ' B' ' 26' ' ' TYR . 24.2 m -52.93 -40.94 64.01 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 119.834 -0.746 . . . . 0.0 109.58 179.353 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -54.09 -24.41 28.11 Favored Glycine 0 CA--C 1.521 0.425 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 178.004 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 12.6 mmtp -62.47 -43.32 99.1 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 -178.596 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.47 ' OE1' ' HE3' ' B' ' 31' ' ' LYS . 28.4 tt0 -165.88 -68.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.124 0.487 . . . . 0.0 110.793 -175.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -34.58 89.71 0.01 OUTLIER Glycine 0 CA--C 1.522 0.509 0 CA-C-N 114.749 -1.114 . . . . 0.0 113.591 -171.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' ASP . . . . . 0.625 ' CG ' ' H ' ' B' ' 25' ' ' LYS . 41.8 t0 36.03 -158.83 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.409 0.684 . . . . 0.0 111.851 175.703 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.625 ' H ' ' CG ' ' B' ' 24' ' ' ASP . 27.5 pttt -62.91 -46.36 88.16 Favored 'General case' 0 CA--C 1.505 -0.775 0 C-N-CA 119.827 -0.749 . . . . 0.0 109.822 178.799 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.681 ' HB3' ' CE1' ' B' ' 16' ' ' HIS . 0.2 OUTLIER -145.47 93.6 2.39 Favored 'General case' 0 N--CA 1.441 -0.877 0 CA-C-N 115.606 -0.724 . . . . 0.0 111.181 170.117 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.453 ' O ' ' HA ' ' B' ' 19' ' ' SER . 5.3 mmmm -155.36 167.55 30.01 Favored 'General case' 0 C--N 1.309 -1.179 0 N-CA-C 106.95 -1.5 . . . . 0.0 106.95 175.276 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.508 ' HB3' HG13 ' B' ' 69' ' ' VAL . 48.8 tp -122.57 128.9 51.32 Favored 'General case' 0 C--N 1.307 -1.266 0 C-N-CA 119.788 -0.765 . . . . 0.0 110.377 -178.567 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 8.3 p -81.99 159.57 23.5 Favored 'General case' 0 C--O 1.238 0.492 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 176.574 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.437 ' NZ ' ' O ' ' B' ' 61' ' ' LEU . 10.3 mmmm -71.73 -7.61 49.17 Favored 'General case' 0 C--N 1.317 -0.821 0 C-N-CA 119.896 -0.722 . . . . 0.0 109.733 -176.775 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.47 ' HE3' ' OE1' ' B' ' 22' ' ' GLU . 69.2 mttt -68.83 -57.26 5.81 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 122.337 1.065 . . . . 0.0 108.95 -178.176 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.447 ' HB2' HD11 ' B' ' 28' ' ' LEU . 71.4 mm-40 -71.66 -36.95 70.84 Favored 'General case' 0 N--CA 1.422 -1.834 0 CA-C-N 113.362 -1.744 . . . . 0.0 110.153 -178.621 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.645 HD13 ' C ' ' B' ' 33' ' ' LEU . 3.1 tm? -58.57 -46.07 87.68 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.147 -174.427 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.463 ' NZ ' ' OD1' ' B' ' 62' ' ' ASP . 68.4 mttm -64.17 -43.36 95.4 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 119.759 -0.776 . . . . 0.0 110.108 178.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -70.05 -49.91 46.48 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.063 -178.311 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.48 ' O ' HD12 ' B' ' 36' ' ' LEU . 0.1 OUTLIER -64.08 -43.06 96.59 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 112.497 0.554 . . . . 0.0 112.497 -179.414 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.614 HD23 HG12 ' B' ' 78' ' ' VAL . 2.5 tm? -61.78 -45.43 93.92 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.257 -0.577 . . . . 0.0 110.24 -177.059 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.408 ' HG2' ' O ' ' B' ' 34' ' ' LYS . 11.0 pt20 -68.49 -39.39 81.35 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 120.161 -0.616 . . . . 0.0 110.995 175.884 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 97.6 m -62.15 -49.6 75.21 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.212 -177.623 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -82.63 -42.3 18.37 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.603 0.594 . . . . 0.0 112.603 -170.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.597 HD22 HD21 ' B' ' 37' ' ' LEU . 11.0 mp -88.18 44.08 1.17 Allowed 'General case' 0 CA--C 1.514 -0.427 0 CA-C-O 121.045 0.45 . . . . 0.0 110.517 -178.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -55.69 -39.04 70.45 Favored 'General case' 0 C--N 1.308 -1.236 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.687 -176.286 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.42 -49.58 43.98 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.565 -0.614 . . . . 0.0 111.565 179.216 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.544 ' CZ ' HG23 ' B' ' 82' ' ' THR . 60.8 m-85 -68.1 -40.51 82.57 Favored 'General case' 0 CA--C 1.499 -1.017 0 CA-C-O 121.17 0.51 . . . . 0.0 110.11 177.876 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.408 HD22 ' HA ' ' B' ' 38' ' ' GLN . 19.4 tp -57.86 -48.24 80.39 Favored 'General case' 0 CA--C 1.498 -1.044 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.342 176.733 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.594 ' HA ' ' NZ ' ' B' ' 49' ' ' LYS . 32.8 t70 -70.65 -34.21 71.8 Favored 'General case' 0 C--N 1.301 -1.53 0 C-N-CA 120.225 -0.59 . . . . 0.0 111.76 176.496 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 47' ' ' ALA . . . . . 0.497 ' HB1' ' SD ' ' B' ' 85' ' ' MET . . . -62.9 -38.32 90.46 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.439 -179.332 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.505 ' HG3' ' O ' ' B' ' 44' ' ' PHE . 0.0 OUTLIER -119.86 55.71 0.97 Allowed 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 -177.944 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.594 ' NZ ' ' HA ' ' B' ' 46' ' ' ASP . 39.2 mttp -66.61 -43.36 85.02 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.113 -0.635 . . . . 0.0 111.436 171.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 39.1 p-10 -94.07 4.22 54.2 Favored 'General case' 0 CA--C 1.509 -0.619 0 CA-C-N 115.432 -0.804 . . . . 0.0 112.369 -171.114 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 51' ' ' VAL . . . . . 0.704 ' O ' HG12 ' B' ' 54' ' ' VAL . 16.5 t -85.14 122.04 37.76 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.89 0 C-N-CA 119.862 -0.735 . . . . 0.0 109.096 177.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -59.17 -35.06 72.87 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-O 121.334 0.588 . . . . 0.0 110.237 -177.465 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.459 ' O ' HG23 ' B' ' 57' ' ' VAL . . . -54.75 -28.79 51.14 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.197 -0.91 . . . . 0.0 111.816 -177.687 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.704 HG12 ' O ' ' B' ' 51' ' ' VAL . 8.5 p -59.63 -46.84 92.84 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 C-N-CA 119.307 -0.957 . . . . 0.0 109.961 -178.379 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.571 ' O ' ' N ' ' B' ' 59' ' ' LYS . 10.6 t70 -59.38 -49.71 76.76 Favored 'General case' 0 CA--C 1.5 -0.973 0 C-N-CA 120.641 -0.424 . . . . 0.0 110.612 176.128 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 56' ' ' LYS . . . . . 0.479 ' HD2' ' N ' ' B' ' 56' ' ' LYS . 3.6 mptp? -63.5 -42.77 98.49 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-N 115.483 -0.78 . . . . 0.0 112.316 -174.713 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.682 HG12 HD12 ' B' ' 77' ' ' LEU . 64.4 t -63.44 -44.16 98.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 174.239 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 58' ' ' MET . . . . . 0.435 ' CG ' ' O ' ' B' ' 54' ' ' VAL . 11.0 mmm -62.53 -40.11 95.74 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.44 176.109 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 59' ' ' LYS . . . . . 0.571 ' N ' ' O ' ' B' ' 55' ' ' ASP . 2.5 tppm? -62.19 -42.0 98.87 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.401 -175.693 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -64.81 -37.38 87.41 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.193 176.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.61 ' HG ' HD22 ' B' ' 77' ' ' LEU . 1.3 mm? -62.26 -39.34 92.59 Favored 'General case' 0 C--N 1.309 -1.163 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 171.702 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.463 ' OD1' ' NZ ' ' B' ' 34' ' ' LYS . 56.0 m-20 -62.17 -38.02 87.48 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.907 174.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 63' ' ' GLU . . . . . 0.562 ' C ' ' H ' ' B' ' 65' ' ' GLY . 45.6 mt-10 -60.93 -40.4 93.1 Favored 'General case' 0 CA--C 1.501 -0.914 0 N-CA-C 107.872 -1.159 . . . . 0.0 107.872 175.297 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -74.79 37.14 0.11 Allowed 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 114.789 -1.096 . . . . 0.0 109.684 171.73 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 65' ' ' GLY . . . . . 0.562 ' H ' ' C ' ' B' ' 63' ' ' GLU . . . -105.82 19.17 39.09 Favored Glycine 0 CA--C 1.509 -0.341 0 N-CA-C 108.695 -1.762 . . . . 0.0 108.695 178.136 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -61.9 -37.76 85.82 Favored 'General case' 0 CA--C 1.512 -0.497 0 CA-C-N 115.117 -0.542 . . . . 0.0 109.977 -179.189 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -156.76 -65.14 0.01 OUTLIER Glycine 0 C--N 1.317 -0.502 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.437 179.332 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 79.6 mt-10 -138.71 165.53 26.73 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 122.897 0.479 . . . . 0.0 109.736 -175.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.508 HG13 ' HB3' ' B' ' 28' ' ' LEU . 2.2 p -118.56 131.28 71.81 Favored 'Isoleucine or valine' 0 C--O 1.241 0.634 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 173.239 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.421 ' CG ' ' N ' ' B' ' 71' ' ' PHE . 0.0 OUTLIER -92.45 175.93 6.65 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.773 0.32 . . . . 0.0 111.099 -174.188 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.457 ' CD1' HD13 ' B' ' 12' ' ' ILE . 54.8 t80 -61.98 -46.17 90.41 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.003 0.43 . . . . 0.0 110.572 -178.342 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -60.62 -40.06 90.52 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.042 177.382 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.506 ' HB3' HG23 ' B' ' 69' ' ' VAL . 95.6 mt-10 -67.3 -42.33 83.91 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.057 174.053 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -62.42 -49.32 75.93 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.424 0.528 . . . . 0.0 112.424 177.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.861 HG21 ' CB ' ' A' ' 79' ' ' ALA . 34.6 m -64.83 -38.28 82.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 C-N-CA 119.669 -0.813 . . . . 0.0 112.318 -176.651 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.466 HG12 ' O ' ' B' ' 73' ' ' GLU . 13.0 p -64.0 -36.69 77.64 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 C-N-CA 119.71 -0.796 . . . . 0.0 110.347 -178.249 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.682 HD12 HG12 ' B' ' 57' ' ' VAL . 49.6 tp -60.19 -49.11 78.91 Favored 'General case' 0 CA--C 1.507 -0.675 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.38 179.207 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.614 HG12 HD23 ' B' ' 37' ' ' LEU . 14.1 m -69.63 -43.24 80.44 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.048 0 C-N-CA 120.148 -0.621 . . . . 0.0 110.397 176.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.939 ' CB ' HG21 ' A' ' 75' ' ' VAL . . . -60.01 -48.55 81.25 Favored 'General case' 0 CA--C 1.514 -0.416 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.856 -179.692 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.62 -46.24 84.36 Favored 'General case' 0 CA--C 1.51 -0.584 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -178.658 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.438 ' O ' ' HB2' ' B' ' 85' ' ' MET . 93.7 mt -64.06 -43.11 96.48 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.512 176.373 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.544 HG23 ' CZ ' ' B' ' 44' ' ' PHE . 21.2 m -62.17 -50.45 71.8 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.571 -178.854 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.444 HG13 ' N ' ' B' ' 84' ' ' ALA . 13.6 p -62.22 -46.48 96.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.469 -176.874 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 84' ' ' ALA . . . . . 0.444 ' N ' HG13 ' B' ' 83' ' ' VAL . . . -62.83 -51.6 66.41 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.607 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 85' ' ' MET . . . . . 0.497 ' SD ' ' HB1' ' B' ' 47' ' ' ALA . 2.4 tmm? -65.64 -45.82 81.58 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.499 179.702 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 86' ' ' ASN . . . . . 0.41 ' O ' ' HB2' ' B' ' 89' ' ' PHE . 17.9 t-20 -66.99 -45.92 76.17 Favored 'General case' 0 CA--C 1.513 -0.466 0 C-N-CA 120.031 -0.668 . . . . 0.0 112.652 -176.859 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -64.15 -39.76 94.69 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 120.396 -0.521 . . . . 0.0 109.868 -178.733 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -51.78 -24.43 5.94 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.151 -179.406 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 89' ' ' PHE . . . . . 0.41 ' HB2' ' O ' ' B' ' 86' ' ' ASN . 14.0 m-85 . . . . . 0 CA--C 1.511 -0.536 0 C-N-CA 120.678 -0.409 . . . . 0.0 111.856 -179.538 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 m . . . . . 0 C--O 1.238 0.45 0 CA-C-O 120.908 0.385 . . . . 0.0 110.813 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.455 ' H ' ' CD ' ' A' ' 3' ' ' GLU . 2.0 mp0 -52.14 -31.49 31.28 Favored 'General case' 0 CA--C 1.511 -0.526 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 -179.529 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.729 HD21 HG21 ' B' ' 14' ' ' VAL . 1.4 mm? -61.17 -43.48 98.82 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.166 -177.392 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 -65.44 -43.32 90.79 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 119.477 -0.889 . . . . 0.0 109.709 178.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.469 ' O ' ' N ' ' A' ' 10' ' ' THR . 19.1 m -62.51 -46.66 87.39 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.766 174.357 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 3' ' ' GLU . . . -56.19 -48.93 75.43 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.194 -179.61 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.748 ' SD ' HD11 ' B' ' 11' ' ' LEU . 97.3 mmm -64.47 -41.67 96.37 Favored 'General case' 0 CA--C 1.516 -0.348 0 C-N-CA 120.343 -0.543 . . . . 0.0 110.669 177.489 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -65.53 -34.32 77.99 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.078 -0.649 . . . . 0.0 111.434 176.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.469 ' N ' ' O ' ' A' ' 6' ' ' THR . 11.5 m -57.47 -44.32 84.75 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 176.387 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.948 HD23 HD22 ' B' ' 4' ' ' LEU . 87.7 mt -62.97 -40.36 97.5 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.663 174.635 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.58 HD13 ' CD1' ' A' ' 71' ' ' PHE . 22.7 mm -62.57 -43.69 98.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 178.575 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -60.53 -47.28 86.87 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.028 -177.408 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.55 HG11 HD11 ' B' ' 4' ' ' LEU . 28.4 m -66.45 -39.97 85.37 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.668 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.425 176.397 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.457 ' CE1' ' HB2' ' A' ' 28' ' ' LEU . 73.1 t80 -59.13 -47.89 83.62 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.675 176.842 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.532 ' CD2' HG22 ' A' ' 12' ' ' ILE . 21.5 m-70 -64.66 -40.02 94.7 Favored 'General case' 0 C--O 1.238 0.465 0 C-N-CA 120.57 -0.452 . . . . 0.0 109.896 177.609 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.567 ' O ' ' NZ ' ' A' ' 21' ' ' LYS . . . -57.37 -50.48 72.84 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.529 179.188 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.402 ' NE2' ' HB2' ' A' ' 36' ' ' LEU . 83.1 m-70 -72.71 -36.04 67.73 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.866 178.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 70.5 m -57.26 -41.02 78.87 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.347 -0.541 . . . . 0.0 109.787 178.308 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.75 -5.54 13.76 Favored Glycine 0 CA--C 1.526 0.748 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.081 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.567 ' NZ ' ' O ' ' A' ' 17' ' ' ALA . 48.4 mmtm -95.86 -82.4 0.39 Allowed 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 117.221 0.511 . . . . 0.0 111.604 -177.453 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.411 ' HG3' ' HD2' ' A' ' 31' ' ' LYS . 77.4 mm-40 -95.18 -17.17 21.99 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.806 -176.313 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -87.64 -175.04 48.44 Favored Glycine 0 C--N 1.314 -0.642 0 N-CA-C 111.683 -0.567 . . . . 0.0 111.683 -174.636 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.495 ' CG ' ' H ' ' A' ' 25' ' ' LYS . 51.7 t0 -82.54 -154.9 0.14 Allowed 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 107.478 -1.305 . . . . 0.0 107.478 176.504 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.495 ' H ' ' CG ' ' A' ' 24' ' ' ASP . 0.0 OUTLIER -56.43 -47.57 78.8 Favored 'General case' 0 CA--C 1.503 -0.835 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 175.784 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.479 ' CE2' ' HD3' ' A' ' 25' ' ' LYS . 1.5 p90 -138.85 93.92 2.76 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.386 174.36 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.488 ' NZ ' ' HB3' ' A' ' 70' ' ' ASP . 3.1 mmtt -163.63 157.15 19.01 Favored 'General case' 0 CA--C 1.503 -0.845 0 CA-C-N 114.91 -1.041 . . . . 0.0 109.45 173.148 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.463 ' O ' HG13 ' A' ' 69' ' ' VAL . 33.1 tp -122.75 125.1 44.84 Favored 'General case' 0 N--CA 1.437 -1.079 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 175.738 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.5 p -83.91 164.76 19.22 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.131 178.782 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.566 ' NZ ' ' OD1' ' A' ' 64' ' ' ASN . 0.4 OUTLIER -70.68 -6.45 37.25 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 120.312 -0.555 . . . . 0.0 110.562 -177.425 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.462 ' H ' ' HG3' ' A' ' 31' ' ' LYS . 35.4 mttt -77.86 -60.25 2.45 Favored 'General case' 0 CA--C 1.501 -0.911 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 178.619 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.426 ' O ' ' HB3' ' A' ' 36' ' ' LEU . 80.4 mm-40 -61.77 -39.39 91.47 Favored 'General case' 0 N--CA 1.431 -1.398 0 CA-C-N 113.801 -1.545 . . . . 0.0 109.342 179.245 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.769 HD11 HD22 ' A' ' 77' ' ' LEU . 3.0 tm? -60.02 -47.95 83.71 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.555 -176.882 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.2 pttp -73.05 -44.5 60.65 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 119.317 -0.953 . . . . 0.0 110.799 178.26 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -61.52 -54.35 44.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.453 -179.087 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.46 ' HG ' ' N ' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -64.36 -43.65 93.86 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 178.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.752 HD21 HD22 ' A' ' 41' ' ' LEU . 3.1 tm? -61.51 -48.51 80.71 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.208 -0.597 . . . . 0.0 111.091 -176.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.511 ' HB2' ' CD2' ' A' ' 45' ' ' LEU . 14.1 pt20 -67.07 -41.13 86.95 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 119.767 -0.773 . . . . 0.0 110.439 178.172 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 98.6 m -63.47 -53.43 52.17 Favored 'General case' 0 N--CA 1.441 -0.903 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.308 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.778 ' HB3' HD12 ' B' ' 4' ' ' LEU . 76.7 mm-40 -75.34 -40.94 57.72 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 -173.868 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.752 HD22 HD21 ' A' ' 37' ' ' LEU . 11.2 mp -94.86 31.48 1.83 Allowed 'General case' 0 CA--C 1.505 -0.784 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 179.148 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.0 -33.81 67.52 Favored 'General case' 0 N--CA 1.434 -1.264 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.267 -177.286 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -63.83 -48.86 72.54 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 176.267 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.456 ' O ' ' NE2' ' A' ' 48' ' ' GLN . 52.0 m-85 -66.93 -45.52 77.6 Favored 'General case' 0 CA--C 1.492 -1.275 0 CA-C-O 121.687 0.756 . . . . 0.0 109.296 176.647 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.522 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 47.1 tp -61.47 -48.37 81.43 Favored 'General case' 0 N--CA 1.425 -1.708 0 CA-C-N 114.902 -1.045 . . . . 0.0 111.234 -177.827 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -63.59 -39.28 93.98 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.924 0.392 . . . . 0.0 110.837 176.506 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.443 ' HB3' ' SD ' ' A' ' 85' ' ' MET . . . -62.49 -40.22 95.99 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.839 -0.619 . . . . 0.0 112.297 -176.202 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.456 ' NE2' ' O ' ' A' ' 44' ' ' PHE . 0.9 OUTLIER -129.58 43.5 3.12 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 114.463 1.283 . . . . 0.0 114.463 -174.831 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.522 ' HG3' ' O ' ' A' ' 45' ' ' LEU . 54.1 mtmt -62.96 -40.12 96.74 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 119.271 -0.971 . . . . 0.0 109.496 172.684 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -65.79 -18.33 65.26 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.968 -1.014 . . . . 0.0 111.189 -177.081 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.431 ' C ' ' H ' ' A' ' 53' ' ' ALA . 75.6 t -67.71 -19.12 24.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 120.766 0.317 . . . . 0.0 110.44 -178.725 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 25.4 t70 66.6 -43.66 0.42 Allowed 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.565 -179.532 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.692 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -52.64 -28.16 20.25 Favored 'General case' 0 CA--C 1.514 -0.422 0 N-CA-C 110.124 -0.325 . . . . 0.0 110.124 179.659 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.538 ' O ' ' HG2' ' A' ' 58' ' ' MET . 7.4 p -58.46 -46.93 89.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.865 177.757 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.499 ' O ' ' N ' ' A' ' 59' ' ' LYS . 30.8 t70 -61.36 -41.38 96.97 Favored 'General case' 0 CA--C 1.505 -0.785 0 CA-C-O 121.708 0.766 . . . . 0.0 109.099 174.793 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 30.7 mmtp -65.06 -40.91 95.4 Favored 'General case' 0 C--N 1.308 -1.209 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.358 -175.478 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.692 HG23 ' O ' ' A' ' 53' ' ' ALA . 55.7 t -61.24 -42.55 93.9 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 173.274 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.538 ' HG2' ' O ' ' A' ' 54' ' ' VAL . 74.2 mmm -60.39 -39.48 87.44 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 174.166 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 55' ' ' ASP . 47.0 tptt -63.34 -40.77 98.19 Favored 'General case' 0 N--CA 1.441 -0.902 0 CA-C-N 115.285 -0.871 . . . . 0.0 109.728 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -57.13 -40.76 77.79 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 177.458 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.72 ' HG ' HD22 ' A' ' 77' ' ' LEU . 1.3 mm? -64.72 -38.7 91.9 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.666 171.039 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.432 ' HB3' ' HD2' ' A' ' 59' ' ' LYS . 19.1 t70 -63.73 -37.4 87.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.486 178.441 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 59' ' ' LYS . 79.9 mm-40 -58.95 -35.94 73.97 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 106.459 -1.682 . . . . 0.0 106.459 175.187 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.566 ' OD1' ' NZ ' ' A' ' 30' ' ' LYS . 14.8 t-20 -84.03 9.9 11.3 Favored 'General case' 0 C--N 1.307 -1.246 0 CA-C-N 113.789 -1.551 . . . . 0.0 109.453 176.759 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.443 ' HA2' ' HG3' ' A' ' 30' ' ' LYS . . . -76.46 -3.36 77.51 Favored Glycine 0 C--O 1.239 0.418 0 N-CA-C 110.658 -0.977 . . . . 0.0 110.658 -178.759 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -61.37 -39.23 89.88 Favored 'General case' 0 CA--C 1.512 -0.485 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -134.57 -136.33 3.63 Favored Glycine 0 C--O 1.241 0.532 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 179.407 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -108.04 168.76 9.06 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.479 0.657 . . . . 0.0 112.417 -177.407 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.926 HG23 ' HB2' ' A' ' 73' ' ' GLU . 0.2 OUTLIER -120.32 135.69 59.77 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.976 0 CA-C-N 114.887 -1.051 . . . . 0.0 109.449 179.206 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.488 ' HB3' ' NZ ' ' A' ' 27' ' ' LYS . 3.3 p30 -105.48 -162.5 0.88 Allowed 'General case' 0 CA--C 1.502 -0.888 0 C-N-CA 120.036 -0.665 . . . . 0.0 110.132 175.771 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.58 ' CD1' HD13 ' A' ' 12' ' ' ILE . 46.9 t80 -59.77 -43.72 94.22 Favored 'General case' 0 C--N 1.297 -1.714 0 C-N-CA 120.175 -0.61 . . . . 0.0 109.457 -175.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.436 ' HG3' HG11 ' B' ' 83' ' ' VAL . 79.2 mt-30 -60.9 -47.85 84.51 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.143 179.08 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.926 ' HB2' HG23 ' A' ' 69' ' ' VAL . 52.1 mp0 -67.64 -36.57 81.02 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 119.003 -1.079 . . . . 0.0 110.054 176.236 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -62.54 -49.2 76.27 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 112.554 0.576 . . . . 0.0 112.554 178.548 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.796 HG21 ' CB ' ' B' ' 79' ' ' ALA . 24.3 m -64.81 -38.76 83.55 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 -176.162 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.438 HG23 ' CG ' ' B' ' 72' ' ' GLN . 10.0 p -63.22 -36.84 77.65 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.697 0 C-N-CA 120.032 -0.667 . . . . 0.0 110.665 -178.363 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.769 HD22 HD11 ' A' ' 33' ' ' LEU . 52.0 tp -61.45 -49.52 76.48 Favored 'General case' 0 CA--C 1.513 -0.453 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.892 179.704 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.659 HG12 HD23 ' A' ' 37' ' ' LEU . 11.2 m -68.67 -42.73 83.36 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.864 0 C-N-CA 119.944 -0.702 . . . . 0.0 110.335 178.261 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.773 ' CB ' HG21 ' B' ' 75' ' ' VAL . . . -61.55 -48.23 81.95 Favored 'General case' 0 CA--C 1.507 -0.71 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.567 179.625 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.06 -47.68 77.5 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-O 121.221 0.534 . . . . 0.0 109.6 -178.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.409 HD22 HG23 ' A' ' 54' ' ' VAL . 97.8 mt -63.28 -42.58 99.11 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.808 176.558 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.513 HG21 ' HB3' ' B' ' 8' ' ' MET . 19.9 m -63.34 -51.56 65.45 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 120.601 -0.44 . . . . 0.0 110.546 -179.207 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.679 HG12 ' O ' ' A' ' 79' ' ' ALA . 6.7 p -63.81 -43.66 97.95 Favored 'Isoleucine or valine' 0 C--O 1.237 0.447 0 C-N-CA 120.116 -0.634 . . . . 0.0 111.202 178.648 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.02 -53.75 54.55 Favored 'General case' 0 N--CA 1.446 -0.639 0 C-N-CA 120.187 -0.605 . . . . 0.0 110.632 178.683 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.462 ' O ' ' HB3' ' A' ' 88' ' ' PHE . 18.4 ttp -70.0 -40.63 75.18 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 119.669 -0.812 . . . . 0.0 111.14 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.633 ' CG ' HG21 ' B' ' 12' ' ' ILE . 5.4 t-20 -62.7 -40.84 98.41 Favored 'General case' 0 CA--C 1.512 -0.512 0 C-N-CA 120.222 -0.591 . . . . 0.0 110.781 -177.631 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -59.83 -33.69 72.1 Favored 'General case' 0 CA--C 1.511 -0.528 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.75 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.462 ' HB3' ' O ' ' A' ' 85' ' ' MET . 57.9 t80 -53.52 -45.2 69.68 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.49 177.747 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -59.42 -46.65 88.13 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.009 179.532 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.402 ' NE1' ' OD1' ' A' ' 86' ' ' ASN . 37.8 m95 . . . . . 0 C--N 1.311 -1.07 0 CA-C-O 120.623 0.249 . . . . 0.0 111.478 -178.713 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 58.9 m . . . . . 0 N--CA 1.451 -0.416 0 N-CA-C 111.81 0.3 . . . . 0.0 111.81 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 3' ' ' GLU . . . . . 0.497 ' H ' ' CD ' ' B' ' 3' ' ' GLU . 45.7 mp0 -54.29 -27.23 34.01 Favored 'General case' 0 CA--C 1.51 -0.573 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 175.279 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.948 HD22 HD23 ' A' ' 11' ' ' LEU . 95.4 mt -61.13 -40.49 94.02 Favored 'General case' 0 N--CA 1.434 -1.244 0 CA-C-N 114.278 -1.328 . . . . 0.0 109.083 -177.781 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -63.38 -43.45 97.58 Favored 'General case' 0 N--CA 1.443 -0.795 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 177.658 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 7.6 m -62.5 -46.54 87.96 Favored 'General case' 0 C--O 1.24 0.597 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 175.765 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.81 -48.73 74.89 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.115 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 8' ' ' MET . . . . . 0.794 ' SD ' HD11 ' A' ' 11' ' ' LEU . 93.7 mmm -64.32 -42.45 96.31 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.918 179.389 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -65.93 -35.08 79.64 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 119.917 -0.713 . . . . 0.0 110.871 176.463 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 18.8 m -57.7 -44.45 85.87 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 178.507 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.748 HD11 ' SD ' ' A' ' 8' ' ' MET . 76.8 mt -62.34 -41.84 98.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.431 174.804 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.701 HD13 ' CD1' ' B' ' 71' ' ' PHE . 16.1 mm -62.8 -44.27 99.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 56.6 m-80 -61.6 -41.89 98.09 Favored 'General case' 0 CA--C 1.51 -0.581 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 -178.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.729 HG21 HD21 ' A' ' 4' ' ' LEU . 54.1 t -64.75 -44.56 96.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.883 174.058 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.455 ' CE1' ' HB2' ' B' ' 28' ' ' LEU . 77.1 t80 -58.32 -48.29 80.99 Favored 'General case' 0 N--CA 1.446 -0.648 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 179.249 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.69 ' CD2' HG22 ' B' ' 12' ' ' ILE . 46.5 m-70 -60.93 -41.84 97.02 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.601 176.561 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.501 ' O ' ' NZ ' ' B' ' 21' ' ' LYS . . . -53.93 -45.49 71.22 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.025 -178.577 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.414 ' CD2' HD13 ' B' ' 36' ' ' LEU . 90.5 m-70 -75.46 -36.03 60.77 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.644 176.567 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 69.8 m -57.37 -41.6 80.5 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 120.39 -0.524 . . . . 0.0 109.631 179.052 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.11 -21.94 54.3 Favored Glycine 0 CA--C 1.527 0.802 0 N-CA-C 111.139 -0.785 . . . . 0.0 111.139 177.742 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' LYS . . . . . 0.501 ' NZ ' ' O ' ' B' ' 17' ' ' ALA . 47.9 mmtm -79.66 -75.81 0.24 Allowed 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 -176.756 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 53.9 mm-40 -116.58 -3.76 11.78 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 -176.213 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -90.34 165.03 31.08 Favored Glycine 0 CA--C 1.526 0.757 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.67 -174.116 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 24' ' ' ASP . . . . . 0.498 ' H ' ' HB2' ' B' ' 27' ' ' LYS . 24.1 t0 -86.86 122.27 30.5 Favored 'General case' 0 CA--C 1.519 -0.233 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 175.543 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.501 ' HD2' ' CE1' ' B' ' 26' ' ' TYR . 7.2 pttm 35.26 -94.27 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.76 0 O-C-N 123.21 0.319 . . . . 0.0 110.544 -175.406 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.501 ' CE1' ' HD2' ' B' ' 25' ' ' LYS . 2.4 p90 -110.03 92.66 4.13 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 171.618 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.498 ' HB2' ' H ' ' B' ' 24' ' ' ASP . 9.6 mmmm -157.97 159.19 36.21 Favored 'General case' 0 C--N 1.309 -1.163 0 N-CA-C 108.32 -0.992 . . . . 0.0 108.32 176.517 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.455 ' HB2' ' CE1' ' B' ' 15' ' ' PHE . 43.0 tp -124.49 127.38 47.38 Favored 'General case' 0 C--N 1.307 -1.243 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.005 178.353 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.89 158.4 20.6 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 177.622 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.471 ' NZ ' ' O ' ' B' ' 61' ' ' LEU . 12.2 mmmm -71.31 -8.95 57.09 Favored 'General case' 0 CA--C 1.515 -0.385 0 C-N-CA 119.582 -0.847 . . . . 0.0 109.56 -179.339 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.479 ' O ' ' HG2' ' B' ' 35' ' ' GLU . 58.9 mttt -68.66 -52.47 30.79 Favored 'General case' 0 CA--C 1.498 -1.048 0 N-CA-C 107.489 -1.3 . . . . 0.0 107.489 177.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -73.58 -41.66 62.6 Favored 'General case' 0 N--CA 1.434 -1.225 0 CA-C-N 112.864 -1.971 . . . . 0.0 111.063 -177.34 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.708 HD11 ' CD2' ' B' ' 77' ' ' LEU . 2.7 tm? -59.51 -44.52 93.12 Favored 'General case' 0 CA--C 1.513 -0.478 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.848 -172.737 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.516 ' HG3' ' N ' ' B' ' 35' ' ' GLU . 16.6 pttp -62.45 -45.2 94.13 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 119.143 -1.023 . . . . 0.0 110.199 177.577 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.516 ' N ' ' HG3' ' B' ' 34' ' ' LYS . 66.6 mm-40 -63.81 -47.64 80.02 Favored 'General case' 0 CA--C 1.507 -0.709 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.677 HD21 ' CE1' ' B' ' 74' ' ' TYR . 18.2 tp -59.73 -49.78 76.4 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-N 114.414 -1.266 . . . . 0.0 111.731 178.303 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.664 HD22 ' O ' ' B' ' 37' ' ' LEU . 1.4 tm? -64.34 -47.02 80.97 Favored 'General case' 0 C--N 1.309 -1.186 0 C-N-CA 120.577 -0.449 . . . . 0.0 111.131 -177.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.406 ' HG2' ' O ' ' B' ' 34' ' ' LYS . 12.5 pt20 -69.15 -42.9 75.35 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 119.475 -0.89 . . . . 0.0 110.954 177.06 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.465 ' CB ' ' O ' ' B' ' 35' ' ' GLU . 81.2 m -63.93 -50.89 66.9 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.175 -178.086 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.463 ' OE1' HD23 ' A' ' 4' ' ' LEU . 75.5 mm-40 -85.17 -25.17 27.57 Favored 'General case' 0 CA--C 1.516 -0.354 0 N-CA-C 113.523 0.934 . . . . 0.0 113.523 -172.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.477 ' HB2' HD22 ' B' ' 37' ' ' LEU . 7.6 mp -109.89 30.48 6.66 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 120.624 0.25 . . . . 0.0 110.499 176.156 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 32.5 m -51.44 -39.35 57.19 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.73 0.3 . . . . 0.0 110.398 -177.808 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -63.98 -49.53 66.83 Favored Glycine 0 N--CA 1.446 -0.674 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 178.19 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.609 ' HA ' ' SD ' ' B' ' 85' ' ' MET . 45.9 m-85 -64.77 -44.91 88.49 Favored 'General case' 0 CA--C 1.495 -1.156 0 CA-C-O 121.366 0.603 . . . . 0.0 110.294 178.423 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.449 ' O ' HD12 ' B' ' 45' ' ' LEU . 11.2 tp -61.32 -47.51 85.58 Favored 'General case' 0 C--N 1.306 -1.286 0 CA-C-N 114.969 -1.014 . . . . 0.0 111.498 178.414 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -71.31 -40.35 70.87 Favored 'General case' 0 C--N 1.305 -1.335 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.314 -178.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 47' ' ' ALA . . . . . 0.891 ' HB3' ' SD ' ' B' ' 85' ' ' MET . . . -61.22 -41.79 97.47 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.669 -0.412 . . . . 0.0 110.87 -179.069 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.412 ' NE2' ' HB ' ' B' ' 54' ' ' VAL . 0.0 OUTLIER -120.31 42.34 2.99 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 121.088 0.471 . . . . 0.0 111.373 178.908 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.412 ' NZ ' ' OD1' ' B' ' 50' ' ' ASP . 0.0 OUTLIER -61.71 -40.91 96.71 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.755 177.158 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 50' ' ' ASP . . . . . 0.412 ' OD1' ' NZ ' ' B' ' 49' ' ' LYS . 71.2 m-20 -81.25 -2.91 50.67 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 114.83 -1.077 . . . . 0.0 111.014 -172.352 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 57.8 t -86.04 131.05 35.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 -179.049 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -57.29 -40.22 77.34 Favored 'General case' 0 CA--C 1.508 -0.666 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.055 -177.791 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.28 -25.45 9.47 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.139 -178.313 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.429 ' CG1' ' N ' ' B' ' 55' ' ' ASP . 0.8 OUTLIER -60.15 -47.44 92.01 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 C-N-CA 120.25 -0.58 . . . . 0.0 110.076 179.348 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.563 ' O ' ' N ' ' B' ' 59' ' ' LYS . 32.8 t70 -63.61 -41.4 98.32 Favored 'General case' 0 CA--C 1.499 -0.987 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 174.81 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 56' ' ' LYS . . . . . 0.436 ' O ' ' HG3' ' B' ' 60' ' ' GLU . 18.6 mmtp -64.38 -44.25 91.92 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.82 -172.737 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 1.067 HG12 HD12 ' B' ' 77' ' ' LEU . 90.0 t -63.56 -42.79 97.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 174.222 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 58' ' ' MET . . . . . 0.495 ' SD ' HD12 ' B' ' 37' ' ' LEU . 76.4 mmm -61.8 -40.55 95.61 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.219 -0.901 . . . . 0.0 108.835 177.176 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 59' ' ' LYS . . . . . 0.563 ' N ' ' O ' ' B' ' 55' ' ' ASP . 0.0 OUTLIER -63.07 -42.46 99.67 Favored 'General case' 0 N--CA 1.436 -1.175 0 CA-C-N 114.886 -1.052 . . . . 0.0 110.19 -177.867 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 60' ' ' GLU . . . . . 0.436 ' HG3' ' O ' ' B' ' 56' ' ' LYS . 90.0 mt-10 -56.9 -44.17 82.07 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.576 ' HG ' HD22 ' B' ' 77' ' ' LEU . 3.1 mm? -64.05 -38.44 91.09 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.53 170.703 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.434 ' OD2' ' NZ ' ' B' ' 59' ' ' LYS . 34.8 t70 -62.32 -40.83 97.61 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.336 177.224 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 63' ' ' GLU . . . . . 0.532 ' HG2' ' O ' ' B' ' 59' ' ' LYS . 56.1 mm-40 -60.87 -40.73 94.1 Favored 'General case' 0 CA--C 1.513 -0.471 0 N-CA-C 106.632 -1.618 . . . . 0.0 106.632 176.113 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 64' ' ' ASN . . . . . 0.584 HD22 ' CD ' ' B' ' 73' ' ' GLU . 21.3 t-20 -80.87 35.01 0.36 Allowed 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 114.453 -1.248 . . . . 0.0 109.859 174.502 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 65' ' ' GLY . . . . . 0.415 ' H ' ' C ' ' B' ' 63' ' ' GLU . . . -96.29 18.32 57.68 Favored Glycine 0 N--CA 1.461 0.327 0 N-CA-C 109.392 -1.483 . . . . 0.0 109.392 178.055 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -61.53 -38.93 89.21 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 123.198 0.599 . . . . 0.0 110.862 -177.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -157.31 -82.49 0.04 OUTLIER Glycine 0 C--N 1.316 -0.533 0 N-CA-C 110.733 -0.947 . . . . 0.0 110.733 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -128.44 167.87 16.42 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 120.972 0.415 . . . . 0.0 110.703 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.847 HG23 ' HB3' ' B' ' 73' ' ' GLU . 0.2 OUTLIER -117.86 132.73 66.82 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.291 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 176.2 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -92.05 177.3 6.21 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.48 -175.238 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.701 ' CD1' HD13 ' B' ' 12' ' ' ILE . 82.4 t80 -60.87 -45.23 95.39 Favored 'General case' 0 C--N 1.32 -0.717 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.613 -178.811 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.438 ' CG ' HG23 ' A' ' 76' ' ' VAL . 38.7 tt0 -60.74 -40.64 93.16 Favored 'General case' 0 N--CA 1.436 -1.148 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 -178.59 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.847 ' HB3' HG23 ' B' ' 69' ' ' VAL . 24.6 tp10 -66.41 -39.73 89.17 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.388 -0.823 . . . . 0.0 109.626 176.004 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 74' ' ' TYR . . . . . 0.677 ' CE1' HD21 ' B' ' 36' ' ' LEU . 22.9 t80 -60.45 -47.82 84.46 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.883 179.319 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.773 HG21 ' CB ' ' A' ' 79' ' ' ALA . 28.9 m -63.39 -41.18 91.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 C-N-CA 119.97 -0.692 . . . . 0.0 112.103 -177.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.467 HG12 ' O ' ' B' ' 73' ' ' GLU . 8.7 p -63.98 -38.83 83.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 C-N-CA 120.567 -0.453 . . . . 0.0 111.378 -176.507 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 1.067 HD12 HG12 ' B' ' 57' ' ' VAL . 38.6 tp -60.45 -49.95 75.53 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-O 121.247 0.546 . . . . 0.0 109.572 178.866 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.522 HG12 HD23 ' B' ' 37' ' ' LEU . 16.7 m -71.28 -41.62 74.48 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.917 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.05 178.159 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.796 ' CB ' HG21 ' A' ' 75' ' ' VAL . . . -62.08 -43.94 97.75 Favored 'General case' 0 CA--C 1.505 -0.764 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.036 -179.379 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.02 -47.59 82.62 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 178.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.614 ' HG ' HG11 ' B' ' 57' ' ' VAL . 82.4 mt -63.1 -42.55 99.61 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.557 176.172 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.487 HG23 ' CZ ' ' B' ' 44' ' ' PHE . 14.9 m -62.15 -52.1 65.2 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 120.429 -0.508 . . . . 0.0 110.254 -179.078 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.76 HG12 ' O ' ' B' ' 79' ' ' ALA . 7.5 p -66.02 -43.53 92.5 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 C-N-CA 120.633 -0.427 . . . . 0.0 111.406 177.81 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.27 -54.72 43.58 Favored 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.323 -179.476 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 85' ' ' MET . . . . . 0.891 ' SD ' ' HB3' ' B' ' 47' ' ' ALA . 29.4 ttp -69.14 -45.27 70.52 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 -179.247 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -64.19 -46.75 82.56 Favored 'General case' 0 CA--C 1.513 -0.477 0 N-CA-C 112.146 0.425 . . . . 0.0 112.146 -174.7 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 18.0 t30 -62.01 -33.76 74.94 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.501 -0.48 . . . . 0.0 111.48 -176.043 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -52.8 -43.4 65.87 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 178.333 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 . . . . . 0 C--N 1.32 -0.69 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.604 -179.438 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m . . . . . 0 C--O 1.24 0.554 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -62.26 -38.23 88.49 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 174.706 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.855 HD21 HG21 ' B' ' 14' ' ' VAL . 4.1 mm? -61.14 -44.14 97.78 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 176.845 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -66.01 -42.31 89.84 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 115.129 -0.942 . . . . 0.0 109.267 177.744 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.3 m -61.15 -46.14 91.75 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 109.06 -0.718 . . . . 0.0 109.06 176.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.54 -48.84 78.21 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.073 178.759 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.569 ' SD ' HG23 ' B' ' 78' ' ' VAL . 1.1 mtp -61.78 -44.15 97.44 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.106 -0.638 . . . . 0.0 109.681 179.452 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -62.8 -37.2 85.8 Favored 'General case' 0 CA--C 1.511 -0.55 0 C-N-CA 120.563 -0.455 . . . . 0.0 111.498 176.039 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.9 m -59.92 -46.64 88.73 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 176.721 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.852 HD23 HD22 ' B' ' 4' ' ' LEU . 85.5 mt -64.17 -41.76 96.99 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.711 175.543 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.456 HG12 ' O ' ' A' ' 8' ' ' MET . 21.0 mm -62.21 -44.41 99.06 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 -179.282 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -62.47 -44.62 95.96 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.294 -178.2 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.727 HG11 HD11 ' B' ' 4' ' ' LEU . 77.2 t -64.18 -45.03 97.52 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.9 175.616 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -59.15 -46.37 88.55 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.731 178.421 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.537 ' NE2' ' OD1' ' B' ' 86' ' ' ASN . 2.1 m-70 -65.06 -41.15 95.37 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.902 179.569 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.432 ' O ' ' HG3' ' A' ' 21' ' ' LYS . . . -52.91 -49.69 65.45 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.437 ' CD2' HD13 ' A' ' 36' ' ' LEU . 93.7 m-70 -70.06 -37.58 75.55 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.701 176.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.499 ' HB3' ' HA ' ' A' ' 26' ' ' TYR . 37.5 m -54.93 -44.5 74.31 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 119.932 -0.707 . . . . 0.0 109.223 178.791 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.72 -35.43 89.74 Favored Glycine 0 C--O 1.222 -0.596 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 179.216 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.432 ' HG3' ' O ' ' A' ' 17' ' ' ALA . 62.2 mttm -63.97 -41.07 97.65 Favored 'General case' 0 C--O 1.242 0.683 0 O-C-N 122.843 -0.21 . . . . 0.0 111.431 -178.046 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.526 ' OE1' HD12 ' A' ' 28' ' ' LEU . 1.8 mt-10 -98.06 -25.27 15.0 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -176.706 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 121.03 -160.03 15.44 Favored Glycine 0 N--CA 1.463 0.46 0 C-N-CA 121.075 -0.583 . . . . 0.0 111.752 177.584 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.5 t70 64.88 162.92 0.14 Allowed 'General case' 0 C--O 1.24 0.588 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 -175.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.438 ' C ' ' CD2' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -62.65 -49.48 74.99 Favored 'General case' 0 CA--C 1.506 -0.72 0 C-N-CA 119.613 -0.835 . . . . 0.0 109.369 179.302 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.5 ' CE1' ' HA ' ' B' ' 87' ' ' ASN . 0.2 OUTLIER -167.55 94.08 0.42 Allowed 'General case' 0 C--N 1.312 -1.026 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.121 172.018 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.7 mmmm -148.42 161.03 42.41 Favored 'General case' 0 C--N 1.31 -1.123 0 N-CA-C 107.148 -1.427 . . . . 0.0 107.148 173.795 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.526 HD12 ' OE1' ' A' ' 22' ' ' GLU . 49.7 tp -122.59 131.34 53.78 Favored 'General case' 0 C--N 1.301 -1.52 0 CA-C-O 121.13 0.49 . . . . 0.0 109.921 -179.204 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.433 ' HB2' ' HG3' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -97.19 179.62 4.84 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.007 178.458 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.578 ' NZ ' ' O ' ' A' ' 62' ' ' ASP . 4.7 mmmm -81.87 15.35 2.27 Favored 'General case' 0 C--N 1.314 -0.958 0 C-N-CA 120.545 -0.462 . . . . 0.0 111.578 -175.721 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.433 ' HG3' ' HB2' ' A' ' 29' ' ' SER . 6.5 mttm -91.63 -67.34 0.86 Allowed 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.124 0.488 . . . . 0.0 109.964 -179.498 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.419 ' O ' ' HB3' ' A' ' 36' ' ' LEU . 70.6 mm-40 -66.51 -34.82 78.78 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.412 178.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.565 ' C ' HD13 ' A' ' 33' ' ' LEU . 2.2 tm? -54.76 -46.19 74.33 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -168.443 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.654 ' HZ2' ' HB2' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -61.01 -47.93 84.18 Favored 'General case' 0 CA--C 1.501 -0.921 0 C-N-CA 119.313 -0.955 . . . . 0.0 108.788 -179.857 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.444 ' O ' ' OG1' ' A' ' 39' ' ' THR . 18.8 mm-40 -67.69 -44.05 78.68 Favored 'General case' 0 N--CA 1.431 -1.402 0 CA-C-N 114.307 -1.315 . . . . 0.0 109.207 -176.177 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.669 HD21 ' CE1' ' A' ' 74' ' ' TYR . 3.6 tp -60.09 -49.38 77.88 Favored 'General case' 0 C--N 1.306 -1.321 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.832 176.334 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.688 HD23 HG12 ' A' ' 78' ' ' VAL . 3.0 tm? -63.94 -47.6 79.87 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 120.043 -0.663 . . . . 0.0 111.471 -177.309 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.663 ' HA ' HD22 ' A' ' 45' ' ' LEU . 4.2 pt20 -65.96 -41.27 91.42 Favored 'General case' 0 CA--C 1.511 -0.522 0 C-N-CA 119.338 -0.945 . . . . 0.0 110.593 178.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.444 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 95.5 m -63.51 -53.22 55.42 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 115.653 -0.703 . . . . 0.0 112.146 -177.2 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.694 ' HB3' HD12 ' B' ' 4' ' ' LEU . 75.7 mm-40 -73.81 -40.25 63.5 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 -174.839 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.477 HD22 HD21 ' A' ' 37' ' ' LEU . 10.1 mp -97.58 41.03 1.13 Allowed 'General case' 0 CA--C 1.508 -0.673 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.776 -178.596 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 73.0 m -52.54 -41.79 63.82 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.384 -178.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.51 -46.07 57.03 Favored Glycine 0 CA--C 1.522 0.495 0 C-N-CA 121.287 -0.482 . . . . 0.0 112.111 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.715 ' HA ' ' SD ' ' A' ' 85' ' ' MET . 59.3 m-85 -69.18 -39.77 78.5 Favored 'General case' 0 CA--C 1.488 -1.432 0 CA-C-O 121.432 0.634 . . . . 0.0 109.99 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.663 HD22 ' HA ' ' A' ' 38' ' ' GLN . 55.8 tp -61.47 -44.11 97.67 Favored 'General case' 0 N--CA 1.423 -1.808 0 CA-C-N 114.93 -1.032 . . . . 0.0 110.482 -179.19 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -55.69 -51.26 67.91 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.086 -177.18 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.821 ' HB3' ' SD ' ' A' ' 85' ' ' MET . . . -68.89 -40.4 79.23 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.732 179.159 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 60.1 mm-40 -65.97 -29.26 69.62 Favored 'General case' 0 CA--C 1.511 -0.523 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -176.192 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.567 ' HE3' HD11 ' A' ' 45' ' ' LEU . 22.2 mmtp -59.17 -39.85 83.79 Favored 'General case' 0 C--N 1.311 -1.102 0 C-N-CA 120.088 -0.645 . . . . 0.0 110.844 179.228 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -69.92 -8.13 46.19 Favored 'General case' 0 C--N 1.313 -1.006 0 C-N-CA 120.611 -0.436 . . . . 0.0 110.839 177.787 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.743 ' O ' HG12 ' A' ' 54' ' ' VAL . 62.0 t -105.94 131.54 55.24 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 -177.768 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -61.04 -37.5 82.83 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.104 0.478 . . . . 0.0 110.941 -178.676 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.413 ' H ' HG12 ' A' ' 51' ' ' VAL . . . -51.83 -25.17 7.22 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.496 -174.735 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.743 HG12 ' O ' ' A' ' 51' ' ' VAL . 13.3 p -59.85 -42.22 88.35 Favored 'Isoleucine or valine' 0 C--O 1.24 0.577 0 C-N-CA 120.079 -0.648 . . . . 0.0 109.904 179.697 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -59.17 -49.22 78.7 Favored 'General case' 0 CA--C 1.504 -0.819 0 CA-C-O 121.619 0.723 . . . . 0.0 109.888 177.369 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 50.7 mttp -64.11 -42.45 96.86 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-N 114.33 -1.305 . . . . 0.0 112.43 -175.641 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.482 HG12 HD12 ' A' ' 77' ' ' LEU . 71.6 t -66.69 -47.53 82.87 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.805 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 178.482 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 64.5 ttp -61.89 -39.16 90.97 Favored 'General case' 0 N--CA 1.43 -1.438 0 CA-C-N 114.375 -1.284 . . . . 0.0 110.473 178.722 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -63.03 -49.49 74.41 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.28 -178.661 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -64.74 -43.34 93.67 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.227 -0.589 . . . . 0.0 110.849 179.6 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.423 ' HG ' ' HB2' ' A' ' 77' ' ' LEU . 2.3 mm? -62.82 -39.75 95.26 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.866 174.66 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.578 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . 37.2 t0 -60.86 -45.1 95.86 Favored 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.277 176.594 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -64.2 -43.33 95.38 Favored 'General case' 0 CA--C 1.513 -0.473 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 178.085 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.492 ' C ' ' H ' ' A' ' 66' ' ' ASP . 13.3 t-20 -63.3 -41.86 99.0 Favored 'General case' 0 C--N 1.313 -1.015 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 179.356 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.44 ' HA3' ' HD3' ' A' ' 30' ' ' LYS . . . -71.72 41.29 0.68 Allowed Glycine 0 C--N 1.319 -0.364 0 N-CA-C 110.083 -1.207 . . . . 0.0 110.083 176.668 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.492 ' H ' ' C ' ' A' ' 64' ' ' ASN . 35.1 t70 -62.37 -39.68 93.97 Favored 'General case' 0 CA--C 1.501 -0.915 0 CA-C-O 121.225 0.536 . . . . 0.0 109.558 -179.538 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -116.22 -62.51 0.34 Allowed Glycine 0 C--N 1.31 -0.911 0 N-CA-C 109.307 -1.517 . . . . 0.0 109.307 176.822 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -135.38 157.6 46.48 Favored 'General case' 0 C--N 1.314 -0.958 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 176.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.659 HG23 ' CB ' ' A' ' 73' ' ' GLU . 1.5 p -113.19 124.38 69.77 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.235 0 N-CA-C 106.625 -1.62 . . . . 0.0 106.625 170.542 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.578 ' CG ' ' H ' ' A' ' 71' ' ' PHE . 14.0 t70 -92.62 179.36 5.52 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.604 -173.251 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.578 ' H ' ' CG ' ' A' ' 70' ' ' ASP . 58.6 t80 -58.42 -43.57 88.72 Favored 'General case' 0 C--N 1.306 -1.283 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 -179.574 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -59.32 -43.79 92.66 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.897 179.174 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.659 ' CB ' HG23 ' A' ' 69' ' ' VAL . 1.7 mp0 -66.31 -38.93 88.84 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.277 0.56 . . . . 0.0 109.944 175.054 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.669 ' CE1' HD21 ' A' ' 36' ' ' LEU . 43.4 t80 -60.82 -48.07 83.46 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.339 -179.025 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.687 HG21 ' CB ' ' B' ' 79' ' ' ALA . 13.5 m -64.57 -41.89 93.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 C-N-CA 119.846 -0.742 . . . . 0.0 112.064 179.766 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.416 HG12 ' HA ' ' A' ' 73' ' ' GLU . 14.7 p -65.41 -40.1 87.3 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 C-N-CA 120.02 -0.672 . . . . 0.0 111.057 -179.4 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.532 HD23 HD21 ' A' ' 33' ' ' LEU . 48.0 tp -60.89 -48.67 80.76 Favored 'General case' 0 CA--C 1.509 -0.62 0 C-N-CA 120.571 -0.452 . . . . 0.0 110.345 179.519 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.688 HG12 HD23 ' A' ' 37' ' ' LEU . 13.6 m -69.4 -42.73 81.18 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.84 0 C-N-CA 120.115 -0.634 . . . . 0.0 110.843 178.304 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.703 ' CB ' HG21 ' B' ' 75' ' ' VAL . . . -62.94 -42.6 99.86 Favored 'General case' 0 CA--C 1.508 -0.647 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.481 179.51 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.438 ' HB3' HG11 ' A' ' 57' ' ' VAL . . . -56.79 -49.23 75.95 Favored 'General case' 0 CA--C 1.51 -0.585 0 CA-C-O 121.371 0.605 . . . . 0.0 109.87 -178.641 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 90.7 mt -63.08 -41.19 99.36 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.153 -0.93 . . . . 0.0 109.334 176.121 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.591 HG23 ' CZ ' ' A' ' 44' ' ' PHE . 23.4 m -61.75 -51.75 67.04 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.219 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.436 HG12 ' O ' ' A' ' 79' ' ' ALA . 7.3 p -63.16 -44.9 99.63 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.409 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.627 -179.623 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.31 -51.71 68.3 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.23 178.49 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.821 ' SD ' ' HB3' ' A' ' 47' ' ' ALA . 26.2 ttp -68.16 -42.72 79.61 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 119.761 -0.776 . . . . 0.0 110.627 179.606 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.498 ' OD1' HG21 ' B' ' 12' ' ' ILE . 0.4 OUTLIER -48.84 -29.64 4.86 Favored 'General case' 0 CA--C 1.501 -0.92 0 C-N-CA 120.545 -0.462 . . . . 0.0 110.874 -176.073 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.407 HD22 ' HH ' ' B' ' 26' ' ' TYR . 17.8 t-20 -46.66 -38.78 10.26 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.619 176.15 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -63.09 -43.54 98.22 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.247 177.815 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 15.3 m-30 -61.44 -48.44 81.15 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.21 -176.734 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.451 ' CE2' ' ND1' ' B' ' 16' ' ' HIS . 25.4 m95 . . . . . 0 C--N 1.318 -0.766 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -176.304 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 28.0 m . . . . . 0 N--CA 1.451 -0.405 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 3' ' ' GLU . . . . . 0.426 ' H ' ' CD ' ' B' ' 3' ' ' GLU . 56.1 mp0 -53.55 -20.41 4.96 Favored 'General case' 0 CA--C 1.517 -0.316 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 177.512 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.852 HD22 HD23 ' A' ' 11' ' ' LEU . 77.2 mt -61.59 -41.23 97.12 Favored 'General case' 0 N--CA 1.437 -1.124 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 177.615 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -61.8 -43.81 98.11 Favored 'General case' 0 N--CA 1.445 -0.713 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 178.605 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 6' ' ' THR . . . . . 0.408 ' O ' ' N ' ' B' ' 10' ' ' THR . 9.9 m -61.44 -43.53 98.7 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.47 174.636 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.94 -47.06 87.32 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.955 177.048 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 8' ' ' MET . . . . . 0.557 ' SD ' HD12 ' B' ' 11' ' ' LEU . 97.3 mmm -63.69 -39.88 95.41 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 178.066 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 9' ' ' GLU . . . . . 0.448 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 50.4 mm-40 -61.14 -40.89 95.55 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 173.12 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.581 ' O ' HG23 ' B' ' 14' ' ' VAL . 7.5 m -60.6 -44.62 96.08 Favored 'General case' 0 N--CA 1.443 -0.795 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 176.489 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.688 HD23 ' CD1' ' A' ' 4' ' ' LEU . 87.4 mt -62.58 -43.49 98.67 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.034 176.54 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.498 HG21 ' OD1' ' A' ' 86' ' ' ASN . 11.0 mm -63.32 -44.75 99.24 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.16 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 178.553 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 13' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 49.0 m-80 -62.47 -43.51 98.63 Favored 'General case' 0 CA--C 1.504 -0.789 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.537 -178.468 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.855 HG21 HD21 ' A' ' 4' ' ' LEU . 85.0 t -64.69 -46.6 91.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 176.111 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.562 ' CE1' ' HB2' ' B' ' 28' ' ' LEU . 75.9 t80 -58.94 -47.68 84.19 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.323 179.272 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.555 ' NE2' ' HB3' ' B' ' 26' ' ' TYR . 9.8 m-70 -60.63 -39.36 87.99 Favored 'General case' 0 CA--C 1.505 -0.762 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.805 177.449 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.521 ' O ' ' HG2' ' B' ' 21' ' ' LYS . . . -54.07 -51.4 64.22 Favored 'General case' 0 C--N 1.318 -0.794 0 C-N-CA 120.121 -0.632 . . . . 0.0 109.618 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.701 ' CD2' HD22 ' B' ' 36' ' ' LEU . 98.5 m-70 -66.95 -39.96 87.41 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.08 177.875 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 47.1 m -56.6 -41.57 77.25 Favored 'General case' 0 CA--C 1.517 -0.29 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 173.825 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.88 -39.93 98.63 Favored Glycine 0 N--CA 1.449 -0.494 0 N-CA-C 110.552 -1.019 . . . . 0.0 110.552 176.606 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' LYS . . . . . 0.521 ' HG2' ' O ' ' B' ' 17' ' ' ALA . 75.6 mmtt -63.2 -47.42 82.63 Favored 'General case' 0 CA--C 1.513 -0.463 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 178.84 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.575 ' CD ' ' H ' ' B' ' 29' ' ' SER . 99.1 mt-10 -71.05 -41.29 70.98 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.182 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 133.01 -25.26 3.71 Favored Glycine 0 CA--C 1.535 1.319 0 C-N-CA 121.571 -0.347 . . . . 0.0 112.935 175.319 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -68.01 151.61 46.81 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 117.312 0.556 . . . . 0.0 111.037 -177.046 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.585 ' HG2' ' N ' ' B' ' 26' ' ' TYR . 0.1 OUTLIER -59.36 -42.31 91.31 Favored 'General case' 0 C--O 1.24 0.598 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 176.764 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.585 ' N ' ' HG2' ' B' ' 25' ' ' LYS . 2.3 p90 -166.04 94.61 0.57 Allowed 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.337 168.401 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.477 ' NZ ' ' OE1' ' B' ' 68' ' ' GLU . 2.6 mmmm -154.7 157.29 37.86 Favored 'General case' 0 C--N 1.312 -1.057 0 N-CA-C 106.534 -1.654 . . . . 0.0 106.534 171.39 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.562 ' HB2' ' CE1' ' B' ' 15' ' ' PHE . 43.0 tp -125.31 127.66 47.01 Favored 'General case' 0 C--N 1.3 -1.553 0 C-N-CA 119.931 -0.708 . . . . 0.0 111.033 179.016 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.575 ' H ' ' CD ' ' B' ' 22' ' ' GLU . 1.5 m -96.44 162.8 13.32 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 176.704 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.622 ' NZ ' ' O ' ' B' ' 61' ' ' LEU . 2.7 mmmm -70.4 -6.66 37.18 Favored 'General case' 0 C--N 1.312 -1.054 0 C-N-CA 119.9 -0.72 . . . . 0.0 112.01 -175.282 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.558 ' HD2' ' HG2' ' B' ' 22' ' ' GLU . 0.2 OUTLIER -70.56 -53.21 16.96 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.056 -0.657 . . . . 0.0 110.79 177.781 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' B' ' 36' ' ' LEU . 75.1 mm-40 -73.83 -40.7 63.13 Favored 'General case' 0 C--O 1.219 -0.518 0 N-CA-C 112.089 0.404 . . . . 0.0 112.089 175.235 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.735 HD11 ' CD2' ' B' ' 77' ' ' LEU . 2.3 tm? -58.54 -48.87 79.45 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 -167.592 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.414 ' N ' HD13 ' B' ' 33' ' ' LEU . 19.9 pttp -65.27 -38.08 89.18 Favored 'General case' 0 C--N 1.314 -0.968 0 C-N-CA 119.132 -1.027 . . . . 0.0 110.625 179.763 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.446 ' HA ' HE21 ' B' ' 38' ' ' GLN . 80.0 mm-40 -65.68 -46.38 79.27 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 174.017 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.737 HD21 ' CE1' ' B' ' 74' ' ' TYR . 3.3 tp -61.44 -48.01 83.12 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.613 -0.722 . . . . 0.0 111.408 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.632 HD22 ' HB2' ' B' ' 41' ' ' LEU . 1.4 tm? -63.42 -46.56 85.79 Favored 'General case' 0 C--N 1.316 -0.854 0 C-N-CA 120.663 -0.415 . . . . 0.0 111.132 -179.289 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.446 HE21 ' HA ' ' B' ' 35' ' ' GLU . 24.5 pt20 -67.16 -42.69 83.91 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 119.866 -0.733 . . . . 0.0 110.811 177.736 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 63.5 m -62.68 -52.17 64.36 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.626 -0.715 . . . . 0.0 112.635 -178.382 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -79.07 -39.49 33.67 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 113.214 0.82 . . . . 0.0 113.214 -176.151 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.632 ' HB2' HD22 ' B' ' 37' ' ' LEU . 6.9 mp -102.92 33.46 3.24 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.657 -176.002 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 51.3 m -51.23 -40.0 57.84 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.274 -178.274 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.02 -49.5 62.22 Favored Glycine 0 C--O 1.243 0.684 0 N-CA-C 110.757 -0.937 . . . . 0.0 110.757 178.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.611 ' HA ' ' SD ' ' B' ' 85' ' ' MET . 63.7 m-85 -64.2 -43.39 95.21 Favored 'General case' 0 CA--C 1.5 -0.944 0 CA-C-O 121.468 0.652 . . . . 0.0 109.699 177.848 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.504 ' O ' HD12 ' B' ' 45' ' ' LEU . 3.1 tp -60.85 -47.73 85.01 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.715 178.419 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.467 ' OD1' ' NZ ' ' B' ' 49' ' ' LYS . 29.8 t70 -61.84 -41.91 98.39 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 120.699 -0.4 . . . . 0.0 111.396 178.779 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.25 -35.52 81.1 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.424 177.781 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.6 HE21 ' CA ' ' B' ' 85' ' ' MET . 80.9 mm-40 -89.42 -1.89 58.21 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 114.3 1.222 . . . . 0.0 114.3 -173.252 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.502 ' HG3' ' O ' ' B' ' 45' ' ' LEU . 31.0 mtmt -60.4 -43.08 97.02 Favored 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 113.49 0.922 . . . . 0.0 113.49 -171.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -86.48 -4.58 59.2 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 120.22 -0.592 . . . . 0.0 111.453 -178.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 51' ' ' VAL . . . . . 0.428 ' O ' HG12 ' B' ' 54' ' ' VAL . 60.7 t -82.76 133.55 28.85 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.011 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.45 -178.872 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -57.62 -40.75 79.88 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.106 -178.504 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.532 ' O ' HG23 ' B' ' 57' ' ' VAL . . . -53.95 -31.04 49.23 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.581 -177.241 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.428 HG12 ' O ' ' B' ' 51' ' ' VAL . 1.4 p -59.76 -44.58 94.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 C-N-CA 119.352 -0.939 . . . . 0.0 109.773 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.541 ' O ' ' N ' ' B' ' 59' ' ' LYS . 23.1 t70 -62.45 -48.67 78.62 Favored 'General case' 0 CA--C 1.497 -1.087 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 176.052 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -64.97 -42.33 94.65 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.924 -173.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.532 HG23 ' O ' ' B' ' 53' ' ' ALA . 87.0 t -67.36 -44.61 87.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 177.384 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 58' ' ' MET . . . . . 0.462 ' O ' ' N ' ' B' ' 62' ' ' ASP . 66.5 ttp -61.73 -40.32 94.64 Favored 'General case' 0 N--CA 1.433 -1.276 0 CA-C-N 114.641 -1.163 . . . . 0.0 109.978 175.433 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 59' ' ' LYS . . . . . 0.541 ' N ' ' O ' ' B' ' 55' ' ' ASP . 0.1 OUTLIER -61.1 -45.17 95.79 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.368 179.902 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -57.4 -46.98 82.88 Favored 'General case' 0 C--O 1.243 0.759 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 178.099 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.622 ' O ' ' NZ ' ' B' ' 30' ' ' LYS . 2.2 mm? -63.63 -42.21 98.2 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.028 173.518 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' B' ' 58' ' ' MET . 29.2 t70 -56.55 -48.13 77.97 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-O 121.207 0.527 . . . . 0.0 109.784 -178.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -66.04 -37.27 85.45 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.906 176.027 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 64' ' ' ASN . . . . . 0.487 ' C ' ' H ' ' B' ' 66' ' ' ASP . 0.1 OUTLIER -65.39 -8.48 18.92 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.063 177.588 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 65' ' ' GLY . . . . . 0.463 ' HA2' ' NZ ' ' B' ' 30' ' ' LYS . . . -60.59 3.63 0.36 Allowed Glycine 0 N--CA 1.472 1.043 0 N-CA-C 111.479 -0.649 . . . . 0.0 111.479 177.801 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.487 ' H ' ' C ' ' B' ' 64' ' ' ASN . 54.8 m-20 -60.94 -40.2 92.36 Favored 'General case' 0 CA--C 1.504 -0.824 0 N-CA-C 108.045 -1.095 . . . . 0.0 108.045 176.787 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -141.26 -139.46 3.68 Favored Glycine 0 C--O 1.244 0.725 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 178.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.477 ' OE1' ' NZ ' ' B' ' 27' ' ' LYS . 92.8 mt-10 -90.43 164.99 14.08 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 121.29 0.567 . . . . 0.0 111.002 -178.774 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.708 HG23 ' HB2' ' B' ' 73' ' ' GLU . 1.4 p -116.53 125.68 73.64 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.266 0 N-CA-C 107.283 -1.377 . . . . 0.0 107.283 173.489 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.59 ' CG ' ' H ' ' B' ' 71' ' ' PHE . 44.3 t0 -99.77 -175.8 3.08 Favored 'General case' 0 C--N 1.307 -1.253 0 C-N-CA 120.498 -0.481 . . . . 0.0 111.163 -173.688 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.59 ' H ' ' CG ' ' B' ' 70' ' ' ASP . 45.4 t80 -58.46 -45.23 89.02 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.152 0.501 . . . . 0.0 110.113 -172.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -59.19 -45.03 92.12 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.634 177.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.708 ' HB2' HG23 ' B' ' 69' ' ' VAL . 1.9 mp0 -68.04 -38.24 82.26 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.246 0.546 . . . . 0.0 110.304 176.856 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 74' ' ' TYR . . . . . 0.737 ' CE1' HD21 ' B' ' 36' ' ' LEU . 29.5 t80 -60.92 -48.31 82.42 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.693 179.416 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.703 HG21 ' CB ' ' A' ' 79' ' ' ALA . 34.0 m -63.2 -41.49 92.98 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 C-N-CA 119.915 -0.714 . . . . 0.0 112.072 -179.024 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.412 HG12 ' O ' ' B' ' 73' ' ' GLU . 10.6 p -64.81 -38.38 82.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 C-N-CA 120.206 -0.598 . . . . 0.0 110.818 -179.167 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.735 ' CD2' HD11 ' B' ' 33' ' ' LEU . 61.2 tp -61.47 -48.2 82.2 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-O 120.866 0.365 . . . . 0.0 110.257 179.445 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.569 HG23 ' SD ' ' A' ' 8' ' ' MET . 27.7 m -70.43 -39.7 76.69 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.636 0 C-N-CA 120.075 -0.65 . . . . 0.0 111.188 177.559 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.687 ' CB ' HG21 ' A' ' 75' ' ' VAL . . . -63.95 -40.82 97.29 Favored 'General case' 0 CA--C 1.508 -0.669 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.45 177.689 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 80' ' ' ALA . . . . . 0.459 ' O ' HG12 ' B' ' 83' ' ' VAL . . . -56.64 -50.39 72.19 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-O 121.259 0.552 . . . . 0.0 109.571 -178.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.525 HD12 HD21 ' B' ' 37' ' ' LEU . 99.6 mt -64.8 -41.4 95.83 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.57 177.182 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.593 HG23 ' CZ ' ' B' ' 44' ' ' PHE . 19.5 m -63.04 -48.64 77.85 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.968 179.111 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.459 HG12 ' O ' ' B' ' 80' ' ' ALA . 7.7 p -62.82 -43.54 98.9 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.107 -179.623 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.19 -51.29 70.61 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.372 178.095 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 85' ' ' MET . . . . . 0.611 ' SD ' ' HA ' ' B' ' 44' ' ' PHE . 27.0 ttt -65.13 -41.68 94.58 Favored 'General case' 0 CA--C 1.508 -0.639 0 C-N-CA 119.945 -0.702 . . . . 0.0 109.379 177.708 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 86' ' ' ASN . . . . . 0.537 ' OD1' ' NE2' ' A' ' 16' ' ' HIS . 26.8 t-20 -60.82 -40.13 91.62 Favored 'General case' 0 CA--C 1.501 -0.911 0 C-N-CA 120.223 -0.591 . . . . 0.0 109.473 -179.201 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 87' ' ' ASN . . . . . 0.5 ' HA ' ' CE1' ' A' ' 26' ' ' TYR . 37.3 t30 -58.28 -46.11 86.66 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.07 -0.513 . . . . 0.0 109.86 178.282 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -68.93 -33.26 73.45 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.048 176.1 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 89' ' ' PHE . . . . . 0.492 ' HB2' ' HA ' ' B' ' 86' ' ' ASN . 5.5 t80 . . . . . 0 C--N 1.318 -0.765 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.003 -173.378 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 m . . . . . 0 C--O 1.237 0.404 0 CA-C-O 120.53 0.205 . . . . 0.0 110.653 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 55.9 mp0 -57.54 -48.84 78.21 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-O 121.103 0.478 . . . . 0.0 110.585 -178.404 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.829 ' CD1' HD23 ' B' ' 11' ' ' LEU . 0.9 OUTLIER -62.48 -43.61 98.39 Favored 'General case' 0 C--N 1.314 -0.946 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 -178.434 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.42 ' HG2' ' HD2' ' B' ' 44' ' ' PHE . 61.4 mt-10 -65.62 -45.49 82.9 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-N 115.04 -0.982 . . . . 0.0 109.265 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 14.6 m -62.49 -44.8 95.5 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.365 175.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.566 ' HB1' ' HB1' ' B' ' 7' ' ' ALA . . . -54.42 -49.82 69.08 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.309 178.719 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.597 ' SD ' HD11 ' B' ' 11' ' ' LEU . 94.3 mmm -63.82 -41.48 97.85 Favored 'General case' 0 CA--C 1.513 -0.446 0 C-N-CA 119.876 -0.73 . . . . 0.0 110.587 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.4 ' HA ' ' HB ' ' A' ' 12' ' ' ILE . 91.0 mt-10 -66.14 -35.1 79.59 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 119.998 -0.681 . . . . 0.0 111.292 176.47 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.45 HG22 ' CD1' ' B' ' 4' ' ' LEU . 10.0 m -56.53 -43.4 79.81 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 107.907 -1.146 . . . . 0.0 107.907 178.431 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.667 HD23 HD12 ' B' ' 4' ' ' LEU . 83.3 mt -62.91 -41.1 99.34 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.636 174.415 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.543 HG22 ' CD2' ' A' ' 16' ' ' HIS . 25.6 mm -62.44 -43.47 98.28 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 179.436 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -60.2 -44.59 95.0 Favored 'General case' 0 CA--C 1.505 -0.755 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 -178.493 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 55.4 t -63.89 -45.9 95.7 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.688 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.067 176.264 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.425 ' CE1' ' HB2' ' A' ' 28' ' ' LEU . 64.0 t80 -59.67 -48.18 82.68 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.507 -178.024 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.58 ' NE2' ' OD1' ' B' ' 86' ' ' ASN . 74.5 m-70 -60.57 -40.95 93.57 Favored 'General case' 0 CA--C 1.508 -0.642 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.301 176.378 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.462 ' O ' ' NZ ' ' A' ' 21' ' ' LYS . . . -53.45 -48.82 68.49 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.833 -176.85 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -76.61 -37.9 55.66 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.698 178.088 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 65.5 m -57.68 -42.99 84.73 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-O 121.164 0.507 . . . . 0.0 110.017 178.239 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.32 -42.19 93.45 Favored Glycine 0 N--CA 1.446 -0.694 0 N-CA-C 110.731 -0.948 . . . . 0.0 110.731 -178.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.462 ' NZ ' ' O ' ' A' ' 17' ' ' ALA . 1.5 mmtp -65.36 -46.73 79.02 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.182 0.515 . . . . 0.0 109.612 -178.457 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.524 ' OE1' ' N ' ' A' ' 29' ' ' SER . 99.1 mt-10 -70.45 -41.53 72.7 Favored 'General case' 0 N--CA 1.441 -0.912 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.314 -176.144 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 160.33 -73.13 0.21 Allowed Glycine 0 CA--C 1.522 0.474 0 C-N-CA 119.999 -1.095 . . . . 0.0 113.141 177.473 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -60.52 157.07 14.93 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -172.296 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.626 ' HG3' ' CE2' ' A' ' 26' ' ' TYR . 0.5 OUTLIER -66.33 -30.83 71.31 Favored 'General case' 0 C--O 1.241 0.623 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 175.482 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.626 ' CE2' ' HG3' ' A' ' 25' ' ' LYS . 0.6 OUTLIER -149.37 91.83 1.87 Allowed 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.468 173.24 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.407 ' HD2' ' HA ' ' A' ' 27' ' ' LYS . 12.6 mmmm -159.71 155.42 25.97 Favored 'General case' 0 CA--C 1.501 -0.906 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 167.114 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.565 HD21 HD23 ' A' ' 33' ' ' LEU . 53.6 tp -129.09 132.48 47.42 Favored 'General case' 0 C--N 1.304 -1.411 0 C-N-CA 120.583 -0.447 . . . . 0.0 109.908 177.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.557 ' HB2' ' HG3' ' A' ' 31' ' ' LYS . 1.1 m -104.34 173.92 6.09 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 -179.382 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.546 ' NZ ' ' O ' ' A' ' 61' ' ' LEU . 11.2 mmmm -76.33 -5.98 49.5 Favored 'General case' 0 C--N 1.315 -0.902 0 C-N-CA 120.459 -0.496 . . . . 0.0 111.467 -175.644 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.557 ' HG3' ' HB2' ' A' ' 29' ' ' SER . 0.0 OUTLIER -67.67 -69.69 0.3 Allowed 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 178.813 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.464 ' O ' ' N ' ' A' ' 36' ' ' LEU . 58.7 mm-40 -69.77 -35.12 74.65 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.266 -0.879 . . . . 0.0 112.19 179.579 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.767 ' O ' HD22 ' A' ' 33' ' ' LEU . 1.2 tm? -56.62 -50.04 73.19 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 113.264 0.839 . . . . 0.0 113.264 -167.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.435 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 7.5 mtmp? -63.59 -41.68 98.33 Favored 'General case' 0 CA--C 1.508 -0.655 0 C-N-CA 118.391 -1.323 . . . . 0.0 110.69 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.413 ' O ' ' OG1' ' A' ' 39' ' ' THR . 92.9 mt-10 -65.37 -44.08 88.72 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.933 -0.765 . . . . 0.0 108.933 176.791 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.492 ' O ' HD12 ' A' ' 36' ' ' LEU . 3.2 tp -60.43 -48.42 81.85 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.334 179.383 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.681 HD23 HG12 ' A' ' 78' ' ' VAL . 3.1 tm? -63.42 -48.21 78.73 Favored 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 119.911 -0.716 . . . . 0.0 111.424 -178.137 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.573 ' HA ' HD22 ' A' ' 45' ' ' LEU . 19.9 pt20 -66.0 -40.12 90.88 Favored 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 120.15 -0.62 . . . . 0.0 110.348 178.583 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.413 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 71.2 m -65.32 -52.86 51.19 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 115.558 -0.746 . . . . 0.0 112.877 -177.672 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.405 ' HG2' HD12 ' A' ' 36' ' ' LEU . 79.5 mm-40 -73.83 -40.67 63.16 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 119.729 -0.788 . . . . 0.0 112.146 -175.723 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.632 HD22 HD21 ' A' ' 37' ' ' LEU . 10.5 mp -88.35 44.78 1.22 Allowed 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.596 -178.24 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.57 -47.33 73.42 Favored 'General case' 0 C--N 1.31 -1.121 0 C-N-CA 120.96 -0.296 . . . . 0.0 111.633 -175.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.426 ' H ' ' CD ' ' B' ' 5' ' ' GLU . . . -70.24 -43.99 61.37 Favored Glycine 0 CA--C 1.522 0.494 0 N-CA-C 111.384 -0.686 . . . . 0.0 111.384 178.478 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.612 ' HA ' ' SD ' ' A' ' 85' ' ' MET . 41.8 m-85 -66.69 -42.44 86.48 Favored 'General case' 0 CA--C 1.499 -1.012 0 CA-C-O 121.068 0.461 . . . . 0.0 110.008 178.172 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.573 HD22 ' HA ' ' A' ' 38' ' ' GLN . 46.5 tp -61.14 -45.75 93.38 Favored 'General case' 0 N--CA 1.431 -1.423 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.023 174.302 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.481 ' O ' ' HE2' ' A' ' 49' ' ' LYS . 34.9 t70 -56.15 -47.24 78.6 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.021 0.439 . . . . 0.0 110.294 -179.764 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.737 ' HB3' ' SD ' ' A' ' 85' ' ' MET . . . -67.03 -36.51 82.26 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.909 175.498 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.458 ' HG2' ' O ' ' A' ' 44' ' ' PHE . 82.0 mm-40 -84.78 1.04 48.54 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 -174.566 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.57 ' HG3' ' O ' ' A' ' 45' ' ' LEU . 41.6 mtmt -58.89 -37.12 75.86 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 120.736 -0.385 . . . . 0.0 111.274 -176.339 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -114.38 36.48 3.74 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.866 0.365 . . . . 0.0 111.407 -179.208 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.52 ' C ' ' H ' ' A' ' 53' ' ' ALA . 57.6 t -112.64 -13.32 11.4 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 N-CA-C 111.841 0.312 . . . . 0.0 111.841 -179.533 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.52 ' OD1' ' NZ ' ' A' ' 56' ' ' LYS . 7.3 t70 62.17 -30.65 0.08 Allowed 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 112.889 0.699 . . . . 0.0 112.889 178.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.547 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -54.49 -33.07 59.13 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.014 0.435 . . . . 0.0 110.669 -178.866 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.755 ' HA ' HD21 ' A' ' 81' ' ' LEU . 9.7 p -58.81 -44.31 90.11 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.814 179.06 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 59' ' ' LYS . 31.3 t70 -61.16 -45.14 95.84 Favored 'General case' 0 CA--C 1.502 -0.895 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.296 176.894 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.52 ' NZ ' ' OD1' ' A' ' 52' ' ' ASP . 37.1 mttp -64.17 -45.34 88.83 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 115.001 -1.0 . . . . 0.0 110.792 -178.325 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.932 HG12 HD12 ' A' ' 77' ' ' LEU . 57.3 t -65.09 -44.8 95.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 177.798 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.464 ' O ' ' N ' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -67.1 -22.05 65.83 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.4 175.541 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 55' ' ' ASP . 0.5 OUTLIER -62.73 -43.55 98.5 Favored 'General case' 0 CA--C 1.502 -0.888 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.219 -178.833 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.415 ' O ' ' N ' ' A' ' 64' ' ' ASN . 95.9 mt-10 -58.58 -41.56 86.04 Favored 'General case' 0 N--CA 1.437 -1.112 0 N-CA-C 107.769 -1.197 . . . . 0.0 107.769 176.102 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.797 ' CD1' HD22 ' A' ' 77' ' ' LEU . 39.0 mt -65.24 -37.85 88.53 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.985 175.332 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 58' ' ' MET . 94.0 m-20 -61.75 -43.0 99.7 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 176.276 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -68.62 -48.92 62.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.652 0.739 . . . . 0.0 109.57 177.465 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.584 ' C ' ' H ' ' A' ' 66' ' ' ASP . 14.2 t-20 -68.1 -18.05 64.55 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.845 -1.07 . . . . 0.0 111.36 -178.234 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 61' ' ' LEU . . . -65.23 22.84 0.12 Allowed Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.741 -0.544 . . . . 0.0 111.741 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.584 ' H ' ' C ' ' A' ' 64' ' ' ASN . 37.0 t70 -62.08 -41.66 98.4 Favored 'General case' 0 CA--C 1.506 -0.728 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 175.697 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -126.47 -74.36 0.21 Allowed Glycine 0 N--CA 1.45 -0.417 0 N-CA-C 110.471 -1.051 . . . . 0.0 110.471 178.382 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -148.49 177.49 9.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.83 0.348 . . . . 0.0 111.205 -178.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.412 HG23 ' CB ' ' A' ' 73' ' ' GLU . 2.0 p -126.51 135.89 62.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.426 -0.806 . . . . 0.0 108.958 174.002 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -95.48 -179.8 4.89 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 121.372 0.606 . . . . 0.0 111.978 -175.125 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.549 ' O ' HG22 ' A' ' 75' ' ' VAL . 78.1 t80 -61.74 -45.17 95.08 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.596 178.03 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -61.27 -40.95 95.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.093 -178.804 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.412 ' CB ' HG23 ' A' ' 69' ' ' VAL . 92.6 mt-10 -68.06 -40.44 82.78 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 121.397 0.618 . . . . 0.0 109.449 174.271 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.476 ' CE1' HD21 ' A' ' 36' ' ' LEU . 29.3 t80 -60.93 -48.82 80.06 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.59 -0.732 . . . . 0.0 112.153 178.796 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.876 HG21 ' CB ' ' B' ' 79' ' ' ALA . 16.7 m -64.12 -42.81 96.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 C-N-CA 120.064 -0.654 . . . . 0.0 112.01 -178.86 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 14.9 p -65.07 -33.25 62.44 Favored 'Isoleucine or valine' 0 C--O 1.237 0.424 0 C-N-CA 120.092 -0.643 . . . . 0.0 110.324 178.221 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.932 HD12 HG12 ' A' ' 57' ' ' VAL . 49.0 tp -60.15 -49.24 78.44 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.739 179.182 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.681 HG12 HD23 ' A' ' 37' ' ' LEU . 8.6 m -73.0 -42.01 59.68 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.923 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.901 178.213 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.864 ' CB ' HG21 ' B' ' 75' ' ' VAL . . . -62.3 -40.97 98.05 Favored 'General case' 0 CA--C 1.513 -0.442 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.71 -178.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.12 -45.23 87.65 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 179.292 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.755 HD21 ' HA ' ' A' ' 54' ' ' VAL . 93.4 mt -63.7 -41.1 98.17 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.703 174.742 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.603 HG21 ' HB3' ' B' ' 8' ' ' MET . 19.4 m -61.2 -50.89 71.27 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.61 -177.29 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 10.3 p -62.78 -43.23 98.6 Favored 'Isoleucine or valine' 0 C--O 1.24 0.587 0 C-N-CA 120.433 -0.507 . . . . 0.0 110.737 179.606 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -56.6 -52.26 65.52 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.655 179.321 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.737 ' SD ' ' HB3' ' A' ' 47' ' ' ALA . 24.7 ttp -70.1 -43.02 71.93 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.356 -0.538 . . . . 0.0 110.598 179.711 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.408 ' OD1' HG13 ' B' ' 12' ' ' ILE . 7.0 m120 -64.1 -31.29 72.42 Favored 'General case' 0 CA--C 1.499 -0.988 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -175.878 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -56.53 -33.11 65.75 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 178.424 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.438 ' HB3' ' O ' ' A' ' 85' ' ' MET . 39.3 t80 -58.77 -45.68 89.22 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 179.246 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -55.07 -44.96 75.29 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 119.582 -0.847 . . . . 0.0 110.526 -172.501 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.424 ' CD1' ' CE1' ' B' ' 16' ' ' HIS . 83.9 m95 . . . . . 0 C--N 1.311 -1.067 0 CA-C-O 121.167 0.508 . . . . 0.0 110.476 179.031 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 5.9 m . . . . . 0 C--O 1.238 0.475 0 CA-C-O 120.57 0.224 . . . . 0.0 110.683 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 3' ' ' GLU . . . . . 0.504 ' O ' ' N ' ' B' ' 7' ' ' ALA . 67.8 mt-10 -56.92 -30.22 63.78 Favored 'General case' 0 CA--C 1.511 -0.531 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 177.106 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.667 HD12 HD23 ' A' ' 11' ' ' LEU . 3.5 mm? -61.97 -42.24 98.9 Favored 'General case' 0 CA--C 1.51 -0.591 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 175.723 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 5' ' ' GLU . . . . . 0.426 ' CD ' ' H ' ' A' ' 43' ' ' GLY . 35.8 mt-10 -62.55 -42.55 99.6 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 177.255 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 9.6 m -61.65 -44.72 96.45 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.695 173.68 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.566 ' HB1' ' HB1' ' A' ' 7' ' ' ALA . . . -58.26 -45.41 87.88 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 178.477 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 8' ' ' MET . . . . . 0.603 ' HB3' HG21 ' A' ' 82' ' ' THR . 94.0 mmm -63.2 -41.56 99.19 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.393 177.577 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -64.14 -37.68 88.34 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 120.12 -0.632 . . . . 0.0 110.604 175.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 9.7 m -57.53 -43.42 84.34 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 178.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.829 HD23 ' CD1' ' A' ' 4' ' ' LEU . 73.0 mt -62.42 -42.7 99.64 Favored 'General case' 0 C--O 1.24 0.569 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.047 174.566 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.518 HD13 ' CD1' ' B' ' 71' ' ' PHE . 17.0 mm -62.83 -44.76 99.77 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.554 0 CA-C-N 116.132 -0.486 . . . . 0.0 109.766 -178.8 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -61.54 -43.1 99.48 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.687 -176.367 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.51 HG21 HD21 ' A' ' 4' ' ' LEU . 90.2 t -63.93 -46.3 94.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.921 174.701 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -58.1 -48.15 81.07 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.742 -178.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.545 ' CE1' ' HB3' ' B' ' 26' ' ' TYR . 21.9 m-70 -66.26 -39.55 89.53 Favored 'General case' 0 CA--C 1.512 -0.505 0 C-N-CA 120.695 -0.402 . . . . 0.0 111.428 178.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.61 -50.94 66.86 Favored 'General case' 0 CA--C 1.518 -0.263 0 C-N-CA 120.557 -0.457 . . . . 0.0 109.826 178.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.449 ' ND1' ' OE1' ' B' ' 32' ' ' GLU . 93.3 m-70 -67.29 -40.06 86.04 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.872 177.649 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 32.2 m -57.75 -45.41 85.93 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 121.162 0.505 . . . . 0.0 109.918 -179.669 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.4 -40.92 99.31 Favored Glycine 0 N--CA 1.447 -0.591 0 N-CA-C 110.381 -1.088 . . . . 0.0 110.381 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -64.31 -44.19 92.34 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 121.075 -0.25 . . . . 0.0 111.495 -178.591 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.461 ' HG2' ' HD2' ' B' ' 31' ' ' LYS . 95.8 mt-10 -68.4 -38.19 81.06 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.018 -0.673 . . . . 0.0 111.113 179.697 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 136.94 -20.66 3.4 Favored Glycine 0 N--CA 1.47 0.917 0 C-N-CA 120.489 -0.862 . . . . 0.0 113.494 173.822 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -75.88 153.19 36.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 117.417 0.609 . . . . 0.0 111.516 -178.401 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.545 ' HB3' ' CE2' ' B' ' 26' ' ' TYR . 29.7 mtmt -62.48 -44.96 95.12 Favored 'General case' 0 CA--C 1.49 -1.343 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 176.746 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.545 ' HB3' ' CE1' ' B' ' 16' ' ' HIS . 0.1 OUTLIER -161.07 90.4 0.83 Allowed 'General case' 0 N--CA 1.422 -1.852 0 CA-C-N 114.855 -1.066 . . . . 0.0 109.395 173.735 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.433 ' HG2' ' O ' ' B' ' 26' ' ' TYR . 26.0 mmmt -162.58 154.94 19.01 Favored 'General case' 0 C--N 1.31 -1.135 0 N-CA-C 106.093 -1.817 . . . . 0.0 106.093 172.81 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.638 HD11 ' HB2' ' B' ' 32' ' ' GLU . 42.1 tp -124.65 132.39 53.41 Favored 'General case' 0 C--N 1.3 -1.575 0 C-N-CA 120.281 -0.567 . . . . 0.0 110.266 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.599 ' HB2' ' HG3' ' B' ' 31' ' ' LYS . 0.0 OUTLIER -96.62 178.91 5.17 Favored 'General case' 0 C--N 1.308 -1.21 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 175.285 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.571 ' NZ ' ' O ' ' B' ' 61' ' ' LEU . 4.2 mmmm -78.51 -3.61 44.45 Favored 'General case' 0 C--N 1.309 -1.156 0 C-N-CA 120.098 -0.641 . . . . 0.0 111.493 -177.315 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.599 ' HG3' ' HB2' ' B' ' 29' ' ' SER . 0.1 OUTLIER -64.7 -69.8 0.27 Allowed 'General case' 0 C--O 1.237 0.426 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 177.487 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.638 ' HB2' HD11 ' B' ' 28' ' ' LEU . 76.3 mm-40 -68.67 -38.69 80.6 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.504 179.149 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.549 HD13 ' C ' ' B' ' 33' ' ' LEU . 2.7 tm? -57.75 -46.81 83.98 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 120.585 -0.446 . . . . 0.0 111.591 -171.036 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 9.1 mtmp? -63.62 -42.16 98.21 Favored 'General case' 0 C--N 1.319 -0.746 0 C-N-CA 119.033 -1.067 . . . . 0.0 110.352 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.429 ' O ' ' OG1' ' B' ' 39' ' ' THR . 96.9 mt-10 -68.73 -44.39 73.92 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.1 177.424 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.702 HD21 ' CE1' ' B' ' 74' ' ' TYR . 1.1 tp -60.52 -50.08 74.99 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.759 -0.655 . . . . 0.0 112.123 179.662 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.668 HD23 HG12 ' B' ' 78' ' ' VAL . 2.9 tm? -62.7 -47.42 83.72 Favored 'General case' 0 C--N 1.313 -1.002 0 C-N-CA 119.785 -0.766 . . . . 0.0 111.283 -175.12 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.648 ' HB2' HD22 ' B' ' 45' ' ' LEU . 10.8 pt20 -66.44 -41.64 88.85 Favored 'General case' 0 C--N 1.314 -0.941 0 C-N-CA 120.111 -0.636 . . . . 0.0 110.635 177.718 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.429 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 73.9 m -63.82 -54.02 41.57 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.933 -0.576 . . . . 0.0 112.484 -177.293 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -70.86 -40.19 72.47 Favored 'General case' 0 CA--C 1.515 -0.397 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -176.32 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.47 HD22 HD21 ' B' ' 37' ' ' LEU . 10.8 mp -97.31 37.2 1.36 Allowed 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.874 -178.549 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 73.4 m -53.1 -42.32 65.82 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 121.056 -0.258 . . . . 0.0 111.561 -175.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.64 -46.55 67.82 Favored Glycine 0 N--CA 1.463 0.462 0 N-CA-C 110.901 -0.879 . . . . 0.0 110.901 178.091 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.555 ' CD1' ' SD ' ' B' ' 85' ' ' MET . 11.4 m-85 -62.12 -43.11 99.54 Favored 'General case' 0 CA--C 1.514 -0.422 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 174.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.648 HD22 ' HB2' ' B' ' 38' ' ' GLN . 2.4 tp -59.49 -48.5 81.4 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.122 179.626 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -59.81 -44.72 93.86 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-O 120.936 0.398 . . . . 0.0 110.467 -178.808 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 47' ' ' ALA . . . . . 0.456 ' HB3' ' SD ' ' B' ' 85' ' ' MET . . . -67.45 -38.63 84.79 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.727 175.214 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.553 ' HG2' ' SD ' ' B' ' 85' ' ' MET . 15.3 mm-40 -65.27 -27.16 68.44 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 114.39 1.255 . . . . 0.0 114.39 -174.11 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.491 ' HG3' ' O ' ' B' ' 45' ' ' LEU . 23.5 mtpp -56.91 -42.72 80.45 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 120.337 -0.545 . . . . 0.0 111.046 -170.858 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -67.72 -21.31 65.3 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.434 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 51' ' ' VAL . . . . . 0.492 ' O ' ' N ' ' B' ' 53' ' ' ALA . 51.1 t -69.84 -20.38 23.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.413 -174.521 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.527 ' OD1' ' NZ ' ' B' ' 56' ' ' LYS . 41.2 t0 66.76 -51.44 0.46 Allowed 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 121.085 0.469 . . . . 0.0 110.531 -177.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.492 ' N ' ' O ' ' B' ' 51' ' ' VAL . . . -53.62 -24.98 15.71 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.012 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.415 HG13 ' N ' ' B' ' 55' ' ' ASP . 7.6 p -56.24 -43.93 78.0 Favored 'Isoleucine or valine' 0 C--O 1.241 0.612 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 178.769 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' B' ' 59' ' ' LYS . 32.9 t70 -60.59 -45.28 94.56 Favored 'General case' 0 CA--C 1.503 -0.838 0 CA-C-O 121.471 0.653 . . . . 0.0 109.752 175.51 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 56' ' ' LYS . . . . . 0.527 ' NZ ' ' OD1' ' B' ' 52' ' ' ASP . 60.8 mttp -66.52 -40.37 89.12 Favored 'General case' 0 C--N 1.307 -1.268 0 CA-C-N 114.625 -1.17 . . . . 0.0 111.774 -178.079 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.554 HG12 HD12 ' B' ' 77' ' ' LEU . 93.0 t -64.21 -46.15 94.25 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.603 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 176.052 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 58' ' ' MET . . . . . 0.463 ' O ' ' N ' ' B' ' 62' ' ' ASP . 64.9 ttp -60.06 -36.92 78.39 Favored 'General case' 0 N--CA 1.434 -1.239 0 CA-C-N 114.383 -1.28 . . . . 0.0 108.975 173.507 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 59' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' B' ' 55' ' ' ASP . 0.3 OUTLIER -62.3 -41.71 98.75 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.02 179.633 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -60.25 -41.27 92.85 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.463 -0.939 . . . . 0.0 108.463 177.323 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.572 ' O ' ' HB3' ' B' ' 64' ' ' ASN . 2.7 mm? -63.85 -37.62 88.06 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.058 171.625 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.463 ' N ' ' O ' ' B' ' 58' ' ' MET . 26.1 t70 -61.35 -36.23 79.61 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.302 -179.211 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 76.7 mt-10 -51.85 -44.32 63.6 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 107.26 -1.385 . . . . 0.0 107.26 175.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 64' ' ' ASN . . . . . 0.599 ' C ' ' H ' ' B' ' 66' ' ' ASP . 0.4 OUTLIER -60.21 -4.58 0.84 Allowed 'General case' 0 N--CA 1.435 -1.207 0 CA-C-N 113.579 -1.646 . . . . 0.0 111.972 -178.259 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.58 8.31 0.03 OUTLIER Glycine 0 CA--C 1.535 1.343 0 N-CA-C 111.663 -0.575 . . . . 0.0 111.663 176.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.599 ' H ' ' C ' ' B' ' 64' ' ' ASN . 14.2 t70 -57.92 -37.46 74.09 Favored 'General case' 0 CA--C 1.51 -0.563 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 176.596 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -159.17 -90.35 0.08 OUTLIER Glycine 0 C--N 1.317 -0.512 0 N-CA-C 110.509 -1.036 . . . . 0.0 110.509 177.291 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.472 ' O ' ' ND2' ' B' ' 64' ' ' ASN . 1.4 mp0 -121.87 171.58 8.81 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-O 120.663 0.268 . . . . 0.0 110.538 -178.704 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.718 HG23 ' CB ' ' B' ' 73' ' ' GLU . 1.2 p -119.47 128.3 75.86 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.949 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 171.766 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.403 ' O ' ' N ' ' B' ' 74' ' ' TYR . 0.0 OUTLIER -93.52 -176.7 4.17 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.635 -0.426 . . . . 0.0 111.118 -175.324 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.626 ' O ' HG22 ' B' ' 75' ' ' VAL . 59.4 t80 -60.5 -45.4 93.92 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 -178.875 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -60.17 -42.05 94.15 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.152 178.251 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.718 ' CB ' HG23 ' B' ' 69' ' ' VAL . 57.2 mt-10 -68.33 -41.78 80.27 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-O 121.139 0.495 . . . . 0.0 110.541 174.465 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 74' ' ' TYR . . . . . 0.702 ' CE1' HD21 ' B' ' 36' ' ' LEU . 30.3 t80 -61.7 -47.98 82.84 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 178.489 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.864 HG21 ' CB ' ' A' ' 79' ' ' ALA . 16.5 m -63.55 -40.13 87.89 Favored 'Isoleucine or valine' 0 C--O 1.238 0.489 0 C-N-CA 119.938 -0.705 . . . . 0.0 112.02 -177.321 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.483 HG12 ' O ' ' B' ' 73' ' ' GLU . 12.1 p -63.85 -35.46 73.3 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 C-N-CA 120.266 -0.574 . . . . 0.0 110.968 -179.091 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.554 HD12 HG12 ' B' ' 57' ' ' VAL . 51.1 tp -61.14 -49.21 78.15 Favored 'General case' 0 CA--C 1.512 -0.485 0 C-N-CA 120.791 -0.363 . . . . 0.0 110.376 178.182 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.668 HG12 HD23 ' B' ' 37' ' ' LEU . 19.3 m -69.43 -42.53 81.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 C-N-CA 120.148 -0.621 . . . . 0.0 110.505 177.031 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.876 ' CB ' HG21 ' A' ' 75' ' ' VAL . . . -64.05 -44.19 93.23 Favored 'General case' 0 CA--C 1.508 -0.644 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.56 -179.612 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 80' ' ' ALA . . . . . 0.561 ' O ' HG12 ' B' ' 83' ' ' VAL . . . -61.69 -43.2 99.31 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 -179.783 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 95.9 mt -63.26 -41.61 99.07 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.473 174.234 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.416 ' O ' ' N ' ' B' ' 86' ' ' ASN . 19.9 m -61.23 -47.56 85.5 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.812 177.03 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.561 HG12 ' O ' ' B' ' 80' ' ' ALA . 0.3 OUTLIER -62.45 -42.83 97.16 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.724 0 C-N-CA 120.287 -0.565 . . . . 0.0 110.44 -179.261 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 84' ' ' ALA . . . . . 0.505 ' HB3' HE22 ' B' ' 48' ' ' GLN . . . -56.88 -53.47 57.58 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.229 177.862 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 85' ' ' MET . . . . . 0.555 ' SD ' ' CD1' ' B' ' 44' ' ' PHE . 79.0 mtp -65.06 -39.7 93.66 Favored 'General case' 0 CA--C 1.512 -0.488 0 C-N-CA 120.149 -0.62 . . . . 0.0 111.61 174.595 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 86' ' ' ASN . . . . . 0.58 ' OD1' ' NE2' ' A' ' 16' ' ' HIS . 28.3 t30 -59.16 -44.64 92.12 Favored 'General case' 0 CA--C 1.501 -0.924 0 C-N-CA 120.462 -0.495 . . . . 0.0 109.938 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 87' ' ' ASN . . . . . 0.42 ' OD1' ' CZ ' ' A' ' 26' ' ' TYR . 38.2 t30 -64.84 -41.98 95.28 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 174.843 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -60.29 -44.0 95.77 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.759 178.153 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.54 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.548 -178.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 m . . . . . 0 C--O 1.24 0.596 0 CA-C-O 120.97 0.414 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.443 ' H ' ' CD ' ' A' ' 3' ' ' GLU . 1.9 mp0 -55.51 -40.45 71.8 Favored 'General case' 0 CA--C 1.505 -0.769 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 176.361 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.86 HD21 HG21 ' B' ' 14' ' ' VAL . 4.0 mm? -61.71 -45.37 94.27 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.081 -0.963 . . . . 0.0 108.744 -178.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -65.81 -45.46 82.25 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.791 179.191 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 18.6 m -63.25 -45.87 89.52 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.368 176.524 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.47 -49.2 75.33 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 178.321 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.572 ' HE1' ' HB2' ' B' ' 79' ' ' ALA . 95.8 mmm -64.59 -41.33 96.33 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.528 177.514 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -64.47 -38.96 92.85 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 120.321 -0.552 . . . . 0.0 110.255 179.606 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 11.6 m -57.22 -43.54 82.91 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 178.63 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.82 HD11 ' SD ' ' B' ' 8' ' ' MET . 85.5 mt -62.82 -40.85 98.66 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.713 175.067 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.433 HD13 ' CD1' ' A' ' 71' ' ' PHE . 17.9 mm -62.25 -43.55 98.1 Favored 'Isoleucine or valine' 0 C--O 1.238 0.461 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 178.401 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -60.86 -44.99 96.29 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 -177.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.798 HG21 HD11 ' B' ' 4' ' ' LEU . 91.7 t -67.41 -43.65 87.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.094 177.032 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -58.37 -47.93 82.26 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.308 -177.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.481 ' NE2' ' OD1' ' B' ' 86' ' ' ASN . 52.3 m-70 -62.18 -35.7 79.64 Favored 'General case' 0 CA--C 1.506 -0.725 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.961 177.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.45 ' HB3' ' O ' ' A' ' 14' ' ' VAL . . . -51.81 -50.72 60.25 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -69.68 -39.64 76.87 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.894 176.765 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.478 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 26.7 m -52.42 -37.04 55.77 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 119.769 -0.773 . . . . 0.0 110.231 179.057 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -56.65 -25.33 50.72 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 110.69 -0.964 . . . . 0.0 110.69 177.842 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.7 mmtp -65.12 -41.46 94.83 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.989 0.423 . . . . 0.0 110.301 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.502 ' OE1' ' N ' ' A' ' 29' ' ' SER . 8.3 pt-20 -115.09 -28.19 7.07 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.106 -0.952 . . . . 0.0 112.316 -170.651 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.494 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . 85.92 -121.47 5.7 Favored Glycine 0 CA--C 1.525 0.701 0 C-N-CA 121.341 -0.457 . . . . 0.0 112.523 177.274 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.1 t70 63.58 -68.03 0.09 Allowed 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 -172.774 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.494 ' N ' ' O ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -178.99 -87.88 0.0 OUTLIER 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 114.98 -1.009 . . . . 0.0 109.09 172.233 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.443 ' CD1' ' N ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -113.88 94.76 4.98 Favored 'General case' 0 CA--C 1.499 -0.982 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 171.551 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.478 ' O ' ' HA ' ' A' ' 19' ' ' SER . 6.9 mmtp -141.41 155.69 45.87 Favored 'General case' 0 CA--C 1.482 -1.658 0 CA-C-N 115.444 -0.798 . . . . 0.0 112.56 -177.055 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.767 HD21 HD23 ' A' ' 33' ' ' LEU . 41.2 tp -136.96 117.45 13.76 Favored 'General case' 0 N--CA 1.414 -2.238 0 CA-C-N 114.159 -1.382 . . . . 0.0 108.042 173.023 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.514 ' HA ' ' HA ' ' A' ' 68' ' ' GLU . 23.3 m -85.65 158.39 20.09 Favored 'General case' 0 C--N 1.304 -1.384 0 CA-C-O 121.039 0.447 . . . . 0.0 110.574 -177.003 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.53 -5.81 9.04 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.348 -178.517 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.432 ' HG3' ' HB2' ' A' ' 29' ' ' SER . 1.0 OUTLIER -79.22 -57.33 3.78 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 175.698 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -70.71 -37.98 73.59 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.128 -0.942 . . . . 0.0 111.266 178.224 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.767 HD23 HD21 ' A' ' 28' ' ' LEU . 2.0 tm? -58.99 -45.77 89.8 Favored 'General case' 0 CA--C 1.513 -0.444 0 C-N-CA 120.917 -0.313 . . . . 0.0 111.43 -172.644 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.497 ' HG3' ' N ' ' A' ' 35' ' ' GLU . 65.0 pttt -60.62 -46.08 91.61 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 119.859 -0.736 . . . . 0.0 110.061 -178.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.497 ' N ' ' HG3' ' A' ' 34' ' ' LYS . 99.1 mt-10 -66.32 -44.83 82.28 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.611 177.232 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.615 HD21 ' CE1' ' A' ' 74' ' ' TYR . 3.3 tp -60.67 -49.56 77.01 Favored 'General case' 0 C--N 1.309 -1.181 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.748 -179.164 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.582 HD23 HG12 ' A' ' 78' ' ' VAL . 3.0 tm? -63.69 -47.26 81.9 Favored 'General case' 0 C--N 1.315 -0.896 0 C-N-CA 119.902 -0.719 . . . . 0.0 111.372 -176.423 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.708 ' HA ' HD22 ' A' ' 45' ' ' LEU . 5.5 pt20 -66.6 -42.16 87.34 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.186 0.517 . . . . 0.0 110.726 178.875 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.435 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 77.0 m -63.16 -50.41 70.48 Favored 'General case' 0 N--CA 1.438 -1.035 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.485 -177.878 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.444 ' HG2' HD12 ' A' ' 36' ' ' LEU . 75.4 mm-40 -75.48 -42.31 53.35 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -175.572 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.553 HD22 HD21 ' A' ' 37' ' ' LEU . 10.8 mp -95.59 39.32 1.13 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.906 0.384 . . . . 0.0 110.773 -177.472 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 36.6 p -54.38 -43.52 71.46 Favored 'General case' 0 C--N 1.312 -1.065 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.281 -175.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -66.93 -44.61 88.47 Favored Glycine 0 C--O 1.236 0.275 0 N-CA-C 111.524 -0.63 . . . . 0.0 111.524 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.454 ' O ' ' HG2' ' A' ' 48' ' ' GLN . 33.3 m-85 -71.14 -38.55 72.24 Favored 'General case' 0 CA--C 1.501 -0.919 0 CA-C-O 121.387 0.613 . . . . 0.0 109.595 178.194 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.708 HD22 ' HA ' ' A' ' 38' ' ' GLN . 45.0 tp -60.42 -44.61 95.57 Favored 'General case' 0 N--CA 1.436 -1.17 0 CA-C-N 115.053 -0.976 . . . . 0.0 111.256 -179.063 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.458 ' HA ' ' HE2' ' A' ' 49' ' ' LYS . 33.9 t70 -55.21 -45.59 75.92 Favored 'General case' 0 C--N 1.318 -0.772 0 C-N-CA 120.165 -0.614 . . . . 0.0 110.415 -177.853 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.39 -40.24 81.44 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.377 176.292 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.682 ' HG3' HD22 ' A' ' 81' ' ' LEU . 62.5 mm-40 -63.52 -19.77 65.05 Favored 'General case' 0 CA--C 1.514 -0.43 0 N-CA-C 112.994 0.738 . . . . 0.0 112.994 -177.472 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.458 ' HE2' ' HA ' ' A' ' 46' ' ' ASP . 36.1 mtmt -57.8 -35.61 71.07 Favored 'General case' 0 C--N 1.312 -1.065 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 178.13 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -94.57 13.04 25.39 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.448 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.533 HG21 ' NE2' ' A' ' 48' ' ' GLN . 72.5 t -117.51 131.91 68.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.997 0.427 . . . . 0.0 110.67 -178.253 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -65.23 -38.94 91.96 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.661 178.504 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.799 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -48.94 -45.29 41.52 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.928 -0.578 . . . . 0.0 112.384 -172.505 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.577 HG23 HD21 ' A' ' 81' ' ' LEU . 7.4 p -59.49 -39.34 78.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 C-N-CA 120.418 -0.513 . . . . 0.0 110.843 -176.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -55.47 -49.17 73.2 Favored 'General case' 0 CA--C 1.508 -0.655 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 178.286 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.457 ' O ' ' HB3' ' A' ' 59' ' ' LYS . 66.6 mttm -65.04 -38.6 91.42 Favored 'General case' 0 C--N 1.309 -1.172 0 CA-C-N 114.414 -1.266 . . . . 0.0 111.543 176.813 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.799 HG23 ' O ' ' A' ' 53' ' ' ALA . 84.7 t -62.1 -44.44 99.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 -179.554 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.468 ' HG3' ' O ' ' A' ' 54' ' ' VAL . 3.9 mtm -59.54 -39.81 85.19 Favored 'General case' 0 CA--C 1.507 -0.686 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 178.216 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.475 ' NZ ' ' OE2' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -62.99 -40.1 96.74 Favored 'General case' 0 C--N 1.308 -1.229 0 CA-C-N 114.085 -1.416 . . . . 0.0 111.19 -179.56 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -66.02 -44.39 84.84 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.221 0.534 . . . . 0.0 110.343 178.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.635 ' HG ' HD13 ' A' ' 77' ' ' LEU . 3.1 mm? -64.21 -38.98 93.0 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.798 176.556 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -59.0 -34.62 72.06 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.233 -0.894 . . . . 0.0 112.322 -172.427 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.475 ' OE2' ' NZ ' ' A' ' 59' ' ' LYS . 80.1 mm-40 -51.7 -64.74 0.72 Allowed 'General case' 0 CA--C 1.509 -0.623 0 C-N-CA 120.394 -0.523 . . . . 0.0 110.226 -178.188 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.528 ' O ' ' N ' ' A' ' 66' ' ' ASP . 0.1 OUTLIER -65.87 -36.72 84.22 Favored 'General case' 0 CA--C 1.498 -1.026 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.688 177.329 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.1 52.75 0.06 OUTLIER Glycine 0 N--CA 1.446 -0.653 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 -178.736 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.528 ' N ' ' O ' ' A' ' 64' ' ' ASN . 25.7 t70 -59.71 -40.98 89.76 Favored 'General case' 0 CA--C 1.501 -0.94 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 175.405 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -150.84 -40.0 0.03 OUTLIER Glycine 0 C--N 1.303 -1.252 0 N-CA-C 109.293 -1.523 . . . . 0.0 109.293 175.548 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.514 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 18.9 mt-10 -115.6 152.48 33.01 Favored 'General case' 0 N--CA 1.439 -1.019 0 CA-C-N 115.328 -0.436 . . . . 0.0 110.547 179.295 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.547 HG12 ' O ' ' A' ' 28' ' ' LEU . 2.5 p -132.73 133.03 59.62 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.397 0 N-CA-C 106.8 -1.556 . . . . 0.0 106.8 174.254 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.11 -177.79 4.58 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 120.005 -0.678 . . . . 0.0 112.316 -172.412 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.527 ' O ' HG22 ' A' ' 75' ' ' VAL . 66.7 t80 -61.03 -44.36 97.51 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.582 -178.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -59.38 -40.76 87.56 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.265 0.555 . . . . 0.0 109.55 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.615 ' O ' HD11 ' A' ' 61' ' ' LEU . 99.3 mt-10 -72.25 -40.74 67.48 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.297 175.746 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.615 ' CE1' HD21 ' A' ' 36' ' ' LEU . 31.8 t80 -60.4 -45.71 92.61 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.995 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.904 HG21 ' CB ' ' B' ' 79' ' ' ALA . 19.7 m -63.8 -43.02 97.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 C-N-CA 120.752 -0.379 . . . . 0.0 111.963 -177.833 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.464 HG22 ' O ' ' A' ' 73' ' ' GLU . 32.0 m -65.99 -36.33 77.23 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.689 0 CA-C-O 120.936 0.398 . . . . 0.0 110.69 179.341 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.732 HD23 HD21 ' A' ' 33' ' ' LEU . 56.6 tp -60.91 -48.43 81.83 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.006 -179.441 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.582 HG12 HD23 ' A' ' 37' ' ' LEU . 11.9 m -72.9 -41.28 60.66 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.907 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.325 176.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.807 ' CB ' HG21 ' B' ' 75' ' ' VAL . . . -62.58 -42.49 99.59 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.016 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.509 ' HB2' ' NE2' ' B' ' 72' ' ' GLN . . . -56.06 -47.65 77.53 Favored 'General case' 0 CA--C 1.514 -0.413 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 179.45 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.682 HD22 ' HG3' ' A' ' 48' ' ' GLN . 92.3 mt -63.17 -41.03 99.16 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.637 176.369 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.514 HG21 ' HB3' ' B' ' 8' ' ' MET . 21.0 m -61.36 -50.59 72.28 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.748 -179.066 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 14.6 p -64.02 -42.98 97.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 C-N-CA 119.823 -0.751 . . . . 0.0 110.355 178.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.08 -52.19 66.27 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.152 177.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 85.5 mmm -66.37 -42.68 87.62 Favored 'General case' 0 CA--C 1.515 -0.381 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 176.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.679 ' CG ' HG21 ' B' ' 12' ' ' ILE . 2.2 t-20 -63.29 -42.32 99.06 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 119.375 -0.93 . . . . 0.0 108.832 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -61.62 -39.54 91.63 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.941 175.078 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -60.14 -44.02 95.26 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.206 174.168 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -59.1 -43.26 91.86 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.299 178.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.516 ' NE1' ' OD1' ' A' ' 86' ' ' ASN . 63.1 m95 . . . . . 0 C--N 1.33 -0.264 0 C-N-CA 120.051 -0.659 . . . . 0.0 112.252 -177.333 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 2' ' ' SER . . . . . 0.405 ' HB2' ' O ' ' A' ' 40' ' ' GLU . 16.8 m . . . . . 0 N--CA 1.451 -0.404 0 CA-C-O 120.891 0.377 . . . . 0.0 111.109 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -56.83 -26.88 59.26 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 175.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.798 HD11 HG21 ' A' ' 14' ' ' VAL . 51.5 mt -61.59 -42.01 98.25 Favored 'General case' 0 N--CA 1.441 -0.885 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.774 179.674 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -62.41 -40.94 98.17 Favored 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 178.046 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 7.4 m -63.6 -46.45 85.75 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 174.022 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.88 -46.59 84.64 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.309 -179.664 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 8' ' ' MET . . . . . 0.82 ' SD ' HD11 ' A' ' 11' ' ' LEU . 94.5 mmm -63.8 -41.64 97.87 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.342 -0.543 . . . . 0.0 110.929 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 9' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' B' ' 13' ' ' ASN . 69.0 mt-10 -66.7 -35.63 80.59 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 119.534 -0.867 . . . . 0.0 110.674 174.779 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.453 ' HA ' HD22 ' B' ' 13' ' ' ASN . 12.6 m -57.95 -42.48 85.04 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 175.562 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.637 HD23 ' CD1' ' A' ' 4' ' ' LEU . 99.3 mt -62.37 -42.29 99.29 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 175.601 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.795 HG22 ' CD2' ' B' ' 16' ' ' HIS . 19.7 mm -63.22 -43.27 98.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 177.532 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 13' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' B' ' 9' ' ' GLU . 94.0 m-20 -60.37 -42.84 96.64 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.389 -175.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.86 HG21 HD21 ' A' ' 4' ' ' LEU . 99.6 t -64.33 -44.39 97.24 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.834 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 174.514 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.413 ' CE1' ' HB2' ' B' ' 28' ' ' LEU . 60.2 t80 -59.37 -47.85 83.85 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.982 -179.043 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.795 ' CD2' HG22 ' B' ' 12' ' ' ILE . 80.0 m-70 -59.22 -42.5 91.17 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.344 177.589 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.54 -48.53 71.89 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.701 -176.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.643 ' CD2' HD22 ' B' ' 36' ' ' LEU . 96.6 m-70 -68.6 -40.06 80.6 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.564 176.576 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 31.5 m -54.35 -34.14 60.5 Favored 'General case' 0 C--O 1.24 0.582 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 173.776 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.16 -33.22 78.9 Favored Glycine 0 CA--C 1.519 0.294 0 CA-C-N 115.08 -0.964 . . . . 0.0 110.725 175.688 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 21' ' ' LYS . . . . . 0.43 ' HB2' ' O ' ' B' ' 18' ' ' HIS . 21.6 mmtp -63.39 -44.85 93.52 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.833 0.349 . . . . 0.0 110.344 -177.855 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.425 ' HG3' ' H ' ' B' ' 24' ' ' ASP . 16.5 pt-20 -87.19 -39.33 15.58 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.705 -0.68 . . . . 0.0 112.058 -175.861 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 139.44 -24.15 2.8 Favored Glycine 0 CA--C 1.523 0.537 0 C-N-CA 120.498 -0.858 . . . . 0.0 112.714 177.815 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 24' ' ' ASP . . . . . 0.425 ' H ' ' HG3' ' B' ' 22' ' ' GLU . 7.4 t70 -71.39 152.94 42.68 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 117.253 0.526 . . . . 0.0 111.085 -178.208 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.606 ' H ' ' HD3' ' B' ' 25' ' ' LYS . 0.0 OUTLIER -67.59 -41.1 84.63 Favored 'General case' 0 C--O 1.245 0.858 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 174.58 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.571 ' HB3' ' CE1' ' B' ' 16' ' ' HIS . 1.6 p90 -153.92 93.08 1.61 Allowed 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.325 174.093 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 3.8 mmmm -156.94 155.46 31.39 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 106.416 -1.698 . . . . 0.0 106.416 166.489 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.562 HD21 HD23 ' B' ' 33' ' ' LEU . 51.2 tp -125.22 123.77 40.27 Favored 'General case' 0 C--N 1.298 -1.633 0 C-N-CA 119.412 -0.915 . . . . 0.0 110.937 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 7.5 p -88.96 167.48 13.16 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-O 121.171 0.51 . . . . 0.0 110.656 176.751 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.551 ' O ' ' NZ ' ' B' ' 34' ' ' LYS . 0.0 OUTLIER -72.61 -5.29 36.27 Favored 'General case' 0 C--N 1.311 -1.085 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 176.087 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 62.9 mttm -61.85 -42.07 98.59 Favored 'General case' 0 CA--C 1.505 -0.781 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.507 ' HB3' ' ND1' ' B' ' 18' ' ' HIS . 56.2 mm-40 -109.76 -35.19 6.25 Favored 'General case' 0 N--CA 1.437 -1.082 0 CA-C-N 114.141 -1.39 . . . . 0.0 111.255 -173.695 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.698 HD13 ' C ' ' B' ' 33' ' ' LEU . 2.5 tm? -57.1 -48.64 78.13 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 120.449 -0.5 . . . . 0.0 111.977 -168.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.551 ' NZ ' ' O ' ' B' ' 30' ' ' LYS . 25.3 pttm -64.61 -39.06 93.04 Favored 'General case' 0 C--N 1.314 -0.969 0 C-N-CA 119.67 -0.812 . . . . 0.0 110.837 179.492 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.457 ' O ' ' HG2' ' B' ' 38' ' ' GLN . 60.6 mm-40 -69.27 -49.92 51.65 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 109.098 -0.705 . . . . 0.0 109.098 179.423 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.643 HD22 ' CD2' ' B' ' 18' ' ' HIS . 0.1 OUTLIER -63.58 -46.29 86.53 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-N 115.714 -0.675 . . . . 0.0 112.185 178.273 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.667 HD23 HG12 ' B' ' 78' ' ' VAL . 2.8 tm? -62.15 -46.8 87.39 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 120.682 -0.407 . . . . 0.0 111.004 -175.248 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.457 ' HG2' ' O ' ' B' ' 35' ' ' GLU . 8.6 pt20 -66.22 -41.56 89.93 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 119.857 -0.737 . . . . 0.0 110.134 176.737 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 91.6 m -65.11 -54.25 32.8 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.791 -0.64 . . . . 0.0 112.523 -177.525 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.457 ' HB3' ' HB2' ' A' ' 4' ' ' LEU . 77.2 mm-40 -70.56 -37.83 74.06 Favored 'General case' 0 CA--C 1.511 -0.553 0 C-N-CA 119.985 -0.686 . . . . 0.0 112.26 -175.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.437 HD22 HD21 ' B' ' 37' ' ' LEU . 10.3 mp -95.1 34.57 1.37 Allowed 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.454 179.218 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 75.7 m -53.51 -43.38 68.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.611 -177.621 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -64.53 -47.02 88.43 Favored Glycine 0 C--N 1.321 -0.301 0 N-CA-C 110.769 -0.932 . . . . 0.0 110.769 178.282 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.556 ' HA ' ' SD ' ' B' ' 85' ' ' MET . 74.2 m-85 -64.58 -42.62 95.49 Favored 'General case' 0 CA--C 1.509 -0.618 0 CA-C-O 121.077 0.465 . . . . 0.0 110.058 177.627 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.606 ' O ' HD12 ' B' ' 45' ' ' LEU . 2.3 tp -61.07 -46.87 88.92 Favored 'General case' 0 N--CA 1.44 -0.933 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.557 177.192 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -63.81 -40.75 97.39 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-O 120.949 0.404 . . . . 0.0 110.685 176.488 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 47' ' ' ALA . . . . . 0.531 ' CB ' ' SD ' ' B' ' 85' ' ' MET . . . -66.87 -36.21 81.8 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.073 179.28 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.478 ' NE2' HG21 ' B' ' 51' ' ' VAL . 41.2 mm-40 -110.65 11.85 22.73 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.863 -174.044 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' B' ' 45' ' ' LEU . 0.0 OUTLIER -59.58 -45.03 93.06 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.333 0.587 . . . . 0.0 110.069 -177.545 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -94.34 20.77 7.79 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 115.057 -0.974 . . . . 0.0 110.404 -177.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 51' ' ' VAL . . . . . 0.622 ' O ' HG12 ' B' ' 54' ' ' VAL . 64.8 t -112.57 133.5 58.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.015 -177.083 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -59.16 -34.77 72.48 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.621 -175.357 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.486 ' H ' HG12 ' B' ' 51' ' ' VAL . . . -53.96 -35.44 61.79 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.885 -176.248 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.622 HG12 ' O ' ' B' ' 51' ' ' VAL . 7.7 p -58.47 -42.15 83.58 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 C-N-CA 119.815 -0.754 . . . . 0.0 109.871 -177.118 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.498 ' O ' ' N ' ' B' ' 59' ' ' LYS . 31.6 t70 -59.87 -50.15 74.91 Favored 'General case' 0 CA--C 1.506 -0.717 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.025 175.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 36.6 mttm -62.84 -43.41 98.88 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-N 115.169 -0.923 . . . . 0.0 111.221 -176.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.878 HG12 HD12 ' B' ' 77' ' ' LEU . 78.0 t -67.96 -46.25 82.23 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 CA-C-O 121.934 0.873 . . . . 0.0 109.355 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 67.3 ttp -67.26 -41.15 86.02 Favored 'General case' 0 C--N 1.305 -1.327 0 CA-C-N 114.64 -1.164 . . . . 0.0 111.878 178.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 59' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' B' ' 55' ' ' ASP . 24.1 tptp -54.25 -59.03 5.21 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.587 0.588 . . . . 0.0 112.587 -171.156 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -67.25 -40.25 86.24 Favored 'General case' 0 CA--C 1.515 -0.399 0 C-N-CA 119.625 -0.83 . . . . 0.0 111.6 -178.671 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.558 ' HG ' HD13 ' B' ' 77' ' ' LEU . 4.0 mm? -62.35 -42.2 99.2 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.36 -0.536 . . . . 0.0 110.315 178.63 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.405 ' HA ' ' CE ' ' B' ' 30' ' ' LYS . 28.6 t70 -63.11 -44.69 94.95 Favored 'General case' 0 N--CA 1.446 -0.639 0 C-N-CA 119.794 -0.762 . . . . 0.0 110.75 177.431 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -66.28 -42.11 88.89 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.179 0.514 . . . . 0.0 109.979 177.548 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 64' ' ' ASN . . . . . 0.497 ' C ' ' H ' ' B' ' 66' ' ' ASP . 89.5 m-20 -61.68 -40.86 96.45 Favored 'General case' 0 CA--C 1.502 -0.901 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.358 178.667 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -71.04 46.31 0.76 Allowed Glycine 0 N--CA 1.447 -0.61 0 N-CA-C 109.569 -1.412 . . . . 0.0 109.569 176.364 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.497 ' H ' ' C ' ' B' ' 64' ' ' ASN . 42.4 t0 -61.97 -35.0 77.17 Favored 'General case' 0 CA--C 1.502 -0.866 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -127.68 -53.44 0.13 Allowed Glycine 0 C--N 1.313 -0.719 0 N-CA-C 109.879 -1.288 . . . . 0.0 109.879 177.42 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -138.72 157.94 45.16 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 122.61 0.364 . . . . 0.0 110.402 -179.289 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.485 HG12 ' O ' ' B' ' 28' ' ' LEU . 2.4 p -121.49 125.89 74.14 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.999 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 169.484 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.555 ' CG ' ' N ' ' B' ' 71' ' ' PHE . 0.6 OUTLIER -93.21 174.37 7.25 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 122.174 -0.329 . . . . 0.0 111.646 -173.742 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.626 ' CD1' HD13 ' B' ' 12' ' ' ILE . 72.3 t80 -59.42 -46.14 89.57 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 120.727 0.299 . . . . 0.0 110.872 -175.187 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.509 ' NE2' ' HB2' ' A' ' 80' ' ' ALA . 7.5 mm100 -58.89 -39.29 80.99 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.337 0.589 . . . . 0.0 110.172 178.586 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -70.1 -41.79 73.55 Favored 'General case' 0 C--N 1.307 -1.242 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.749 176.123 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 28.3 t80 -61.46 -48.38 81.4 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.571 -0.74 . . . . 0.0 112.181 179.688 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.807 HG21 ' CB ' ' A' ' 79' ' ' ALA . 13.8 m -63.4 -42.75 97.42 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 C-N-CA 120.337 -0.545 . . . . 0.0 112.438 -177.781 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 11.8 p -64.57 -37.39 79.94 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.717 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.878 HD12 HG12 ' B' ' 57' ' ' VAL . 66.7 tp -61.14 -47.74 84.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.669 -179.026 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.667 HG12 HD23 ' B' ' 37' ' ' LEU . 19.7 m -70.54 -42.15 78.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 C-N-CA 120.254 -0.578 . . . . 0.0 110.91 176.15 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.904 ' CB ' HG21 ' A' ' 75' ' ' VAL . . . -60.88 -46.01 92.28 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.691 -178.277 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 80' ' ' ALA . . . . . 0.461 ' O ' HG12 ' B' ' 83' ' ' VAL . . . -61.97 -39.78 93.32 Favored 'General case' 0 N--CA 1.445 -0.721 0 C-N-CA 120.173 -0.611 . . . . 0.0 109.741 -179.472 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.652 ' HG ' HG11 ' B' ' 57' ' ' VAL . 97.9 mt -63.32 -41.51 98.92 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 172.233 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.47 ' HA ' ' CE1' ' B' ' 44' ' ' PHE . 17.7 m -62.11 -50.32 72.36 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.351 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.461 HG12 ' O ' ' B' ' 80' ' ' ALA . 1.4 p -63.48 -41.17 91.73 Favored 'Isoleucine or valine' 0 C--O 1.238 0.464 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.208 179.012 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -56.66 -50.93 70.62 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.333 178.138 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 85' ' ' MET . . . . . 0.556 ' SD ' ' HA ' ' B' ' 44' ' ' PHE . 34.6 ttp -66.37 -40.1 89.54 Favored 'General case' 0 CA--C 1.51 -0.587 0 C-N-CA 120.029 -0.668 . . . . 0.0 109.452 177.563 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 86' ' ' ASN . . . . . 0.481 ' OD1' ' NE2' ' A' ' 16' ' ' HIS . 2.3 t-20 -62.0 -40.07 94.39 Favored 'General case' 0 N--CA 1.446 -0.651 0 C-N-CA 120.285 -0.566 . . . . 0.0 110.063 -177.801 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 14.9 t30 -59.77 -42.77 94.04 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 174.549 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -60.12 -44.59 94.76 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.763 172.044 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 89' ' ' PHE . . . . . 0.443 ' HB2' ' HA ' ' B' ' 86' ' ' ASN . 3.8 t80 . . . . . 0 C--N 1.312 -1.032 0 CA-C-N 115.241 -0.891 . . . . 0.0 111.093 -170.162 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.439 ' N ' ' OE1' ' A' ' 5' ' ' GLU . 4.3 m . . . . . 0 C--O 1.239 0.515 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.472 ' HB3' HG21 ' B' ' 10' ' ' THR . 56.4 mp0 -57.94 -43.39 86.33 Favored 'General case' 0 CA--C 1.514 -0.435 0 C-N-CA 120.526 -0.47 . . . . 0.0 110.068 -177.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.667 HD21 HG21 ' B' ' 14' ' ' VAL . 2.0 mm? -63.19 -43.12 99.07 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 178.744 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.439 ' OE1' ' N ' ' A' ' 2' ' ' SER . 64.4 mt-10 -64.45 -45.59 86.79 Favored 'General case' 0 C--N 1.311 -1.065 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 178.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 10' ' ' THR . 10.8 m -60.95 -44.44 97.28 Favored 'General case' 0 N--CA 1.44 -0.951 0 CA-C-N 115.134 -0.939 . . . . 0.0 109.271 175.329 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 3' ' ' GLU . . . -55.86 -48.91 74.7 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 176.642 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.511 ' SD ' HD11 ' B' ' 11' ' ' LEU . 96.2 mmm -64.54 -41.18 96.5 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.302 -0.559 . . . . 0.0 110.266 178.083 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.01 -38.77 89.87 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 176.486 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.466 HG22 HD13 ' B' ' 4' ' ' LEU . 10.7 m -59.77 -44.4 93.9 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 108.018 -1.105 . . . . 0.0 108.018 177.707 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.782 HD11 ' SD ' ' B' ' 8' ' ' MET . 94.5 mt -63.0 -40.9 99.16 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.745 175.069 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.546 HD13 ' CD1' ' A' ' 71' ' ' PHE . 26.5 mm -62.37 -44.4 99.17 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.67 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 177.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -60.4 -43.21 96.91 Favored 'General case' 0 CA--C 1.5 -0.957 0 C-N-CA 120.383 -0.527 . . . . 0.0 110.306 -178.067 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.986 HG21 HD21 ' B' ' 4' ' ' LEU . 94.2 t -66.54 -48.09 81.57 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.084 0 C-N-CA 120.492 -0.483 . . . . 0.0 110.028 176.661 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.521 ' CE2' ' HB2' ' A' ' 28' ' ' LEU . 61.8 t80 -59.21 -48.32 82.06 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.521 0.677 . . . . 0.0 109.38 177.005 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.472 ' N ' ' O ' ' A' ' 12' ' ' ILE . 0.9 OUTLIER -59.39 -46.6 88.21 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 114.897 -1.047 . . . . 0.0 109.836 -179.891 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.81 -47.85 81.63 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.707 179.142 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -66.49 -35.36 80.06 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.655 -0.418 . . . . 0.0 111.906 -179.3 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.423 ' OG ' ' O ' ' A' ' 27' ' ' LYS . 69.8 m -56.1 -41.22 74.89 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 170.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.1 -39.04 96.81 Favored Glycine 0 C--O 1.24 0.503 0 N-CA-C 110.629 -0.989 . . . . 0.0 110.629 174.334 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -62.53 -46.49 88.17 Favored 'General case' 0 CA--C 1.519 -0.241 0 N-CA-C 109.697 -0.482 . . . . 0.0 109.697 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.601 ' CD ' ' H ' ' A' ' 29' ' ' SER . 98.9 mt-10 -70.42 -38.4 74.59 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 176.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 122.64 -14.97 8.57 Favored Glycine 0 N--CA 1.462 0.389 0 CA-C-N 115.955 -0.566 . . . . 0.0 112.056 176.115 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -70.15 141.98 52.58 Favored 'General case' 0 CA--C 1.51 -0.584 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.191 178.36 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.431 ' HG3' ' CE1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -61.23 -41.14 96.36 Favored 'General case' 0 N--CA 1.445 -0.714 0 C-N-CA 120.691 -0.403 . . . . 0.0 110.048 179.308 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.436 ' O ' ' HG2' ' A' ' 27' ' ' LYS . 0.1 OUTLIER -154.89 93.6 1.57 Allowed 'General case' 0 C--O 1.239 0.545 0 CA-C-O 121.125 0.488 . . . . 0.0 111.4 170.063 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.436 ' HG2' ' O ' ' A' ' 26' ' ' TYR . 23.7 mmtm -163.51 158.94 21.45 Favored 'General case' 0 CA--C 1.503 -0.842 0 CA-C-N 114.362 -1.29 . . . . 0.0 109.559 173.339 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.553 HD21 HD23 ' A' ' 33' ' ' LEU . 41.9 tp -124.79 127.11 46.69 Favored 'General case' 0 C--N 1.308 -1.21 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 169.788 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.601 ' H ' ' CD ' ' A' ' 22' ' ' GLU . 2.0 m -100.39 -179.71 4.19 Favored 'General case' 0 C--N 1.309 -1.173 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 -179.76 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.564 ' NZ ' ' O ' ' A' ' 61' ' ' LEU . 10.0 mmmm -74.13 -4.77 37.75 Favored 'General case' 0 C--N 1.314 -0.955 0 O-C-N 121.959 -0.463 . . . . 0.0 111.924 -177.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.499 ' HG3' ' HB2' ' A' ' 29' ' ' SER . 0.2 OUTLIER -77.97 -73.87 0.29 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.072 0.463 . . . . 0.0 110.389 -178.166 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.466 ' O ' ' HB3' ' A' ' 36' ' ' LEU . 68.7 mm-40 -62.18 -32.6 73.25 Favored 'General case' 0 CA--C 1.508 -0.646 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.958 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.772 HD21 HD23 ' A' ' 77' ' ' LEU . 2.2 tm? -57.95 -43.71 86.54 Favored 'General case' 0 C--N 1.319 -0.759 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.305 -175.28 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.401 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 5.3 mtmp? -64.34 -47.85 77.79 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 119.698 -0.801 . . . . 0.0 109.624 177.038 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.1 mm-40 -73.06 -46.6 50.74 Favored 'General case' 0 CA--C 1.505 -0.776 0 CA-C-N 114.935 -1.029 . . . . 0.0 111.316 -171.594 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.583 HD13 ' CG1' ' A' ' 14' ' ' VAL . 0.1 OUTLIER -62.48 -43.46 98.77 Favored 'General case' 0 C--N 1.309 -1.162 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.292 179.681 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.799 HD23 HG12 ' A' ' 78' ' ' VAL . 2.8 tm? -62.07 -47.34 85.12 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.129 -0.628 . . . . 0.0 110.603 -178.693 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.587 ' HA ' HD22 ' A' ' 45' ' ' LEU . 14.5 pt20 -66.87 -41.04 87.95 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 119.927 -0.709 . . . . 0.0 110.443 176.497 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 91.0 m -63.61 -51.63 64.45 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.656 -177.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.871 ' HB3' HD23 ' B' ' 4' ' ' LEU . 55.2 mm-40 -79.61 -39.96 30.4 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 113.488 0.921 . . . . 0.0 113.488 -172.431 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.765 HD22 HD21 ' A' ' 37' ' ' LEU . 11.0 mp -87.2 44.5 1.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.163 0.506 . . . . 0.0 109.999 179.224 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -54.61 -42.31 71.03 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.944 -174.414 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.418 ' N ' ' OE2' ' B' ' 5' ' ' GLU . . . -71.6 -46.5 39.2 Favored Glycine 0 C--O 1.242 0.655 0 N-CA-C 111.56 -0.616 . . . . 0.0 111.56 179.493 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.493 ' O ' ' HG3' ' A' ' 48' ' ' GLN . 40.1 m-85 -68.26 -39.44 82.22 Favored 'General case' 0 CA--C 1.493 -1.233 0 CA-C-O 120.631 0.253 . . . . 0.0 110.617 178.778 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.587 HD22 ' HA ' ' A' ' 38' ' ' GLN . 43.6 tp -59.19 -45.9 89.84 Favored 'General case' 0 N--CA 1.437 -1.11 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.685 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.58 ' O ' ' NZ ' ' A' ' 49' ' ' LYS . 17.5 t70 -59.85 -44.68 93.99 Favored 'General case' 0 C--N 1.313 -0.981 0 C-N-CA 119.962 -0.695 . . . . 0.0 111.34 178.842 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.702 ' HB3' ' SD ' ' A' ' 85' ' ' MET . . . -66.3 -41.14 90.16 Favored 'General case' 0 C--N 1.314 -0.971 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 -178.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.493 ' HG3' ' O ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -77.81 -3.22 40.33 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 -175.388 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.58 ' NZ ' ' O ' ' A' ' 46' ' ' ASP . 23.8 mtmm -59.82 -39.48 85.2 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.15 -0.62 . . . . 0.0 110.246 -174.651 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -102.58 21.76 14.74 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -177.199 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.57 ' O ' ' N ' ' A' ' 53' ' ' ALA . 9.7 t -110.84 2.33 8.96 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 CA-C-O 120.771 0.319 . . . . 0.0 111.795 -177.532 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 55' ' ' ASP . 18.7 t70 58.39 -40.75 0.06 Allowed 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.603 0.761 . . . . 0.0 112.974 -179.461 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.57 ' N ' ' O ' ' A' ' 51' ' ' VAL . . . -45.92 -31.09 1.99 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.925 0.393 . . . . 0.0 110.839 -175.462 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.557 ' HA ' HD21 ' A' ' 81' ' ' LEU . 7.2 p -58.74 -42.97 86.79 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.902 0 C-N-CA 120.421 -0.512 . . . . 0.0 110.085 177.565 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' A' ' 52' ' ' ASP . 28.2 t70 -57.83 -51.57 69.04 Favored 'General case' 0 CA--C 1.502 -0.89 0 CA-C-O 121.486 0.66 . . . . 0.0 109.725 177.786 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.42 ' NZ ' ' OD2' ' A' ' 52' ' ' ASP . 43.5 mmtm -66.82 -43.99 82.35 Favored 'General case' 0 C--N 1.309 -1.183 0 CA-C-N 114.771 -1.104 . . . . 0.0 110.611 -176.225 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.63 HG12 HD12 ' A' ' 77' ' ' LEU . 60.0 t -67.14 -44.41 87.93 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.524 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.711 177.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.435 ' CB ' ' O ' ' A' ' 54' ' ' VAL . 44.5 ttp -60.86 -41.26 95.54 Favored 'General case' 0 N--CA 1.432 -1.375 0 CA-C-N 115.34 -0.845 . . . . 0.0 109.886 177.441 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.524 ' O ' ' N ' ' A' ' 63' ' ' GLU . 13.7 tttm -63.73 -37.02 85.8 Favored 'General case' 0 N--CA 1.435 -1.214 0 C-N-CA 120.008 -0.677 . . . . 0.0 112.71 178.138 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.405 ' O ' ' HB2' ' A' ' 63' ' ' GLU . 72.8 mm-40 -53.59 -42.09 67.26 Favored 'General case' 0 C--N 1.312 -1.054 0 C-N-CA 119.438 -0.905 . . . . 0.0 109.276 177.646 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.76 ' HG ' HD22 ' A' ' 77' ' ' LEU . 2.3 mm? -64.47 -38.39 90.86 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.39 172.633 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.496 ' HB3' ' HG3' ' A' ' 59' ' ' LYS . 29.1 t70 -61.78 -39.75 92.78 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.536 174.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.524 ' N ' ' O ' ' A' ' 59' ' ' LYS . 72.0 mm-40 -58.82 -43.57 90.66 Favored 'General case' 0 CA--C 1.507 -0.68 0 N-CA-C 106.851 -1.536 . . . . 0.0 106.851 174.548 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.581 ' C ' ' H ' ' A' ' 66' ' ' ASP . 11.1 t-20 -64.3 -9.76 19.65 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 114.296 -1.32 . . . . 0.0 110.489 176.021 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.445 ' H ' ' C ' ' A' ' 62' ' ' ASP . . . -58.53 1.73 0.26 Allowed Glycine 0 CA--C 1.518 0.273 0 N-CA-C 109.988 -1.245 . . . . 0.0 109.988 172.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.581 ' H ' ' C ' ' A' ' 64' ' ' ASN . 37.7 t70 -58.55 -42.31 87.56 Favored 'General case' 0 CA--C 1.5 -0.969 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 175.193 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -147.42 -90.9 0.1 OUTLIER Glycine 0 N--CA 1.443 -0.841 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.395 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -142.04 166.68 24.04 Favored 'General case' 0 C--O 1.239 0.541 0 C-N-CA 122.542 0.337 . . . . 0.0 111.444 -175.467 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.713 HG23 ' HB2' ' A' ' 73' ' ' GLU . 1.0 OUTLIER -118.44 130.02 73.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.45 0.643 . . . . 0.0 110.421 179.011 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -97.05 -172.9 2.55 Favored 'General case' 0 CA--C 1.508 -0.665 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.492 -179.119 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.546 ' CD1' HD13 ' A' ' 12' ' ' ILE . 48.8 t80 -60.23 -44.38 95.25 Favored 'General case' 0 C--N 1.307 -1.244 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.541 -179.053 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.494 ' O ' HG22 ' A' ' 75' ' ' VAL . 52.7 mt-30 -59.53 -46.0 90.13 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.086 0.469 . . . . 0.0 110.06 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.713 ' HB2' HG23 ' A' ' 69' ' ' VAL . 97.6 mt-10 -69.25 -37.21 77.84 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.397 0.617 . . . . 0.0 110.305 178.435 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 30.3 t80 -60.65 -48.0 83.75 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.728 175.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.728 HG21 ' CB ' ' B' ' 79' ' ' ALA . 19.4 m -63.24 -41.9 94.47 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 C-N-CA 119.883 -0.727 . . . . 0.0 111.772 -178.333 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.41 HG12 ' O ' ' A' ' 73' ' ' GLU . 12.7 p -64.22 -37.43 79.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 C-N-CA 120.118 -0.633 . . . . 0.0 110.872 -179.101 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.772 HD23 HD21 ' A' ' 33' ' ' LEU . 50.2 tp -61.13 -49.89 75.44 Favored 'General case' 0 CA--C 1.517 -0.312 0 C-N-CA 120.177 -0.609 . . . . 0.0 110.2 179.721 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.799 HG12 HD23 ' A' ' 37' ' ' LEU . 20.6 m -67.41 -42.73 87.62 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.645 0 C-N-CA 119.884 -0.727 . . . . 0.0 110.288 176.802 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.888 ' CB ' HG21 ' B' ' 75' ' ' VAL . . . -62.64 -43.29 99.18 Favored 'General case' 0 CA--C 1.506 -0.728 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.111 -179.755 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.24 -47.3 84.0 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.557 HD21 ' HA ' ' A' ' 54' ' ' VAL . 89.5 mt -62.98 -42.12 99.75 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.92 175.119 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 18.1 m -61.99 -50.76 70.77 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.499 -179.558 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.751 HG11 ' HG3' ' B' ' 72' ' ' GLN . 8.1 p -66.28 -37.01 78.76 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.347 0 C-N-CA 120.208 -0.597 . . . . 0.0 110.859 177.706 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -58.56 -52.51 65.36 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.416 178.542 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.702 ' SD ' ' HB3' ' A' ' 47' ' ' ALA . 18.9 ttp -67.97 -43.67 78.47 Favored 'General case' 0 CA--C 1.51 -0.595 0 C-N-CA 119.672 -0.811 . . . . 0.0 109.504 176.664 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.541 ' O ' ' CD1' ' A' ' 90' ' ' TRP . 85.9 m-20 -64.74 -22.54 67.0 Favored 'General case' 0 CA--C 1.504 -0.821 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.844 -176.036 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.418 ' N ' ' O ' ' A' ' 83' ' ' VAL . 31.1 t-20 -45.82 -42.82 12.76 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 176.074 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -62.22 -44.57 96.27 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.564 173.471 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.51 ' N ' ' O ' ' A' ' 86' ' ' ASN . 0.3 OUTLIER -58.99 -48.4 81.71 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 -175.563 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.596 ' CH2' HG23 ' B' ' 12' ' ' ILE . 6.1 m95 . . . . . 0 CA--C 1.508 -0.638 0 C-N-CA 118.815 -1.154 . . . . 0.0 108.49 -175.055 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 71.3 m . . . . . 0 N--CA 1.448 -0.553 0 CA-C-O 121.448 0.642 . . . . 0.0 112.399 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -55.89 -23.96 34.5 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.195 -179.212 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.986 HD21 HG21 ' A' ' 14' ' ' VAL . 1.2 mm? -60.23 -40.8 91.47 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 -179.437 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 5' ' ' GLU . . . . . 0.441 ' HG2' ' HD2' ' A' ' 44' ' ' PHE . 94.1 mt-10 -60.4 -45.29 94.13 Favored 'General case' 0 N--CA 1.437 -1.077 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 179.486 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 11.1 m -61.95 -46.03 91.07 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 174.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.419 ' HB1' ' HB1' ' A' ' 7' ' ' ALA . . . -55.91 -50.66 70.08 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.19 178.6 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 8' ' ' MET . . . . . 0.782 ' SD ' HD11 ' A' ' 11' ' ' LEU . 95.6 mmm -65.4 -40.85 93.91 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.104 179.412 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 -64.58 -37.61 88.17 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.188 177.128 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.472 HG21 ' HB3' ' A' ' 3' ' ' GLU . 8.1 m -58.87 -44.44 91.08 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 178.779 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.608 HD23 HD12 ' A' ' 4' ' ' LEU . 84.0 mt -62.21 -40.96 97.85 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.82 174.774 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.596 HG23 ' CH2' ' A' ' 90' ' ' TRP . 15.9 mm -62.41 -44.77 99.58 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.177 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 178.827 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 60.1 m-80 -62.53 -42.84 99.79 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.131 0.491 . . . . 0.0 109.838 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.667 HG21 HD21 ' A' ' 4' ' ' LEU . 45.0 t -63.67 -47.25 92.05 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.188 175.364 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.509 ' CE2' ' HB2' ' B' ' 28' ' ' LEU . 57.4 t80 -58.06 -45.14 87.57 Favored 'General case' 0 C--N 1.313 -1.011 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 178.254 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.433 ' CD2' ' CE3' ' A' ' 90' ' ' TRP . 0.9 OUTLIER -53.26 -48.33 68.37 Favored 'General case' 0 C--O 1.24 0.591 0 CA-C-N 114.824 -1.08 . . . . 0.0 109.93 178.51 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.82 -46.08 86.73 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.969 -178.808 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.697 ' CD2' HD13 ' B' ' 36' ' ' LEU . 84.7 m-70 -66.69 -38.8 87.5 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 -176.861 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 73.8 m -54.6 -42.44 71.11 Favored 'General case' 0 C--O 1.243 0.729 0 CA-C-O 121.469 0.652 . . . . 0.0 109.793 177.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.11 -37.43 93.91 Favored Glycine 0 C--N 1.317 -0.524 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.376 179.556 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 61.9 mttm -63.31 -45.01 93.31 Favored 'General case' 0 C--O 1.242 0.664 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -177.194 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.62 ' HG3' ' CG ' ' B' ' 32' ' ' GLU . 72.2 mt-10 -73.04 -43.4 62.04 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.343 -0.543 . . . . 0.0 109.673 177.187 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 143.9 -25.7 2.08 Favored Glycine 0 CA--C 1.522 0.53 0 C-N-CA 120.997 -0.62 . . . . 0.0 113.145 175.003 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -64.38 142.18 58.51 Favored 'General case' 0 CA--C 1.511 -0.558 0 CA-C-N 117.876 0.838 . . . . 0.0 111.127 -177.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.498 ' HD2' ' CE1' ' B' ' 26' ' ' TYR . 25.8 pttt -60.46 -44.17 96.13 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.32 177.645 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.498 ' CE1' ' HD2' ' B' ' 25' ' ' LYS . 1.2 p90 -156.82 90.72 1.16 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.349 170.073 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.452 ' HA ' ' HD2' ' B' ' 27' ' ' LYS . 25.6 mmmt -166.36 169.09 14.41 Favored 'General case' 0 CA--C 1.505 -0.763 0 C-N-CA 125.436 1.495 . . . . 0.0 107.078 171.11 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.509 ' HB2' ' CE2' ' B' ' 15' ' ' PHE . 37.5 tp -125.0 130.15 51.77 Favored 'General case' 0 C--N 1.31 -1.149 0 C-N-CA 119.904 -0.718 . . . . 0.0 110.481 174.776 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -97.19 -177.33 3.81 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 177.542 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.468 ' N ' ' HD2' ' B' ' 30' ' ' LYS . 0.5 OUTLIER -82.53 -3.4 55.87 Favored 'General case' 0 C--N 1.308 -1.209 0 O-C-N 121.93 -0.481 . . . . 0.0 112.004 -173.554 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.544 ' HD2' ' HG2' ' B' ' 22' ' ' GLU . 15.1 mttm -77.8 -65.77 0.93 Allowed 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 -177.567 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.62 ' CG ' ' HG3' ' B' ' 22' ' ' GLU . 62.4 mm-40 -65.56 -35.4 80.74 Favored 'General case' 0 C--O 1.206 -1.192 0 CA-C-N 115.166 -0.925 . . . . 0.0 112.217 -179.77 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.693 HD21 HD23 ' B' ' 77' ' ' LEU . 2.1 tm? -56.32 -44.96 80.49 Favored 'General case' 0 C--N 1.31 -1.112 0 C-N-CA 120.57 -0.452 . . . . 0.0 111.319 -170.222 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.455 ' NZ ' ' O ' ' B' ' 30' ' ' LYS . 30.8 mttp -63.57 -45.21 91.49 Favored 'General case' 0 C--N 1.318 -0.8 0 C-N-CA 119.335 -0.946 . . . . 0.0 109.027 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.532 ' HG3' ' O ' ' B' ' 31' ' ' LYS . 1.0 OUTLIER -71.13 -39.07 72.23 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.82 -1.082 . . . . 0.0 110.584 -178.843 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.697 HD13 ' CD2' ' B' ' 18' ' ' HIS . 2.0 tp -60.04 -47.15 87.05 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.731 178.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.846 HD21 HD22 ' B' ' 41' ' ' LEU . 2.6 tm? -62.61 -46.45 88.23 Favored 'General case' 0 C--N 1.314 -0.968 0 C-N-CA 120.209 -0.596 . . . . 0.0 111.028 -178.388 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.777 ' HB2' HD22 ' B' ' 45' ' ' LEU . 14.8 pt20 -64.93 -40.09 94.5 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 119.622 -0.831 . . . . 0.0 110.588 176.473 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 77.3 m -62.79 -49.52 74.65 Favored 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 -175.002 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.632 ' HG2' HD12 ' B' ' 36' ' ' LEU . 35.8 mm-40 -83.4 -36.79 24.02 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.449 -0.5 . . . . 0.0 111.833 -174.122 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.846 HD22 HD21 ' B' ' 37' ' ' LEU . 10.6 mp -91.87 45.07 1.2 Allowed 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.498 -178.643 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 15.2 m -52.1 -44.22 64.31 Favored 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 111.83 0.307 . . . . 0.0 111.83 -172.699 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.81 -45.24 53.35 Favored Glycine 0 CA--C 1.528 0.896 0 N-CA-C 111.277 -0.729 . . . . 0.0 111.277 178.134 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.512 ' CZ ' HG23 ' B' ' 82' ' ' THR . 29.9 m-85 -64.82 -37.21 86.84 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-O 120.972 0.415 . . . . 0.0 110.039 176.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.777 HD22 ' HB2' ' B' ' 38' ' ' GLN . 2.3 tp -58.26 -46.43 86.01 Favored 'General case' 0 CA--C 1.505 -0.759 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.765 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.466 ' O ' ' NZ ' ' B' ' 49' ' ' LYS . 38.7 t70 -63.88 -42.72 97.43 Favored 'General case' 0 C--N 1.312 -1.063 0 C-N-CA 119.925 -0.71 . . . . 0.0 110.704 178.773 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.41 -41.12 80.87 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.964 -0.562 . . . . 0.0 112.071 -179.65 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.496 ' HG3' ' O ' ' B' ' 45' ' ' LEU . 0.1 OUTLIER -70.88 -7.01 42.59 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 120.443 -0.503 . . . . 0.0 111.583 -176.631 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.466 ' NZ ' ' O ' ' B' ' 46' ' ' ASP . 22.6 mtmm -59.57 -38.38 81.0 Favored 'General case' 0 CA--C 1.512 -0.485 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 -179.249 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -109.44 36.73 2.83 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.768 -176.716 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 51' ' ' VAL . . . . . 0.603 ' O ' HG12 ' B' ' 54' ' ' VAL . 54.3 t -119.51 132.8 68.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 178.459 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.472 ' OD1' ' NZ ' ' B' ' 56' ' ' LYS . 33.4 t70 -62.77 -39.06 93.01 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 112.405 0.52 . . . . 0.0 112.405 -176.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.448 ' O ' HG23 ' B' ' 57' ' ' VAL . . . -61.09 -36.0 78.5 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 113.375 0.879 . . . . 0.0 113.375 -171.499 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.603 HG12 ' O ' ' B' ' 51' ' ' VAL . 7.7 p -53.58 -45.12 59.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 C-N-CA 120.324 -0.55 . . . . 0.0 111.0 -173.134 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -61.56 -39.95 92.95 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.651 -0.499 . . . . 0.0 109.651 178.053 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 56' ' ' LYS . . . . . 0.472 ' NZ ' ' OD1' ' B' ' 52' ' ' ASP . 36.9 mmtm -68.99 -44.55 72.6 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.911 179.371 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.448 HG23 ' O ' ' B' ' 53' ' ' ALA . 77.3 t -62.42 -43.9 98.7 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.647 -176.237 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 23.4 ptp -63.39 -15.26 57.02 Favored 'General case' 0 C--N 1.317 -0.835 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.813 -177.571 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 59' ' ' LYS . . . . . 0.546 ' O ' ' HG2' ' B' ' 63' ' ' GLU . 0.1 OUTLIER -60.79 -47.53 85.92 Favored 'General case' 0 CA--C 1.503 -0.864 0 C-N-CA 120.39 -0.524 . . . . 0.0 109.712 -178.964 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 53.2 mp0 -61.31 -39.9 92.21 Favored 'General case' 0 CA--C 1.509 -0.614 0 O-C-N 123.54 0.525 . . . . 0.0 109.678 179.203 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.483 ' CD2' HD13 ' B' ' 77' ' ' LEU . 3.7 mm? -62.05 -40.76 96.84 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 175.826 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.482 ' HB3' ' NZ ' ' B' ' 59' ' ' LYS . 28.9 t70 -64.22 -42.16 96.71 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.733 173.568 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 63' ' ' GLU . . . . . 0.546 ' HG2' ' O ' ' B' ' 59' ' ' LYS . 75.2 mm-40 -59.49 -44.21 93.13 Favored 'General case' 0 CA--C 1.505 -0.772 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 176.662 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 64' ' ' ASN . . . . . 0.459 ' O ' ' NZ ' ' B' ' 30' ' ' LYS . 24.4 t-20 -67.82 6.36 0.7 Allowed 'General case' 0 C--N 1.31 -1.145 0 CA-C-N 113.728 -1.578 . . . . 0.0 110.543 175.319 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 65' ' ' GLY . . . . . 0.433 ' H ' ' C ' ' B' ' 63' ' ' GLU . . . -79.58 -8.47 87.71 Favored Glycine 0 C--O 1.235 0.201 0 N-CA-C 109.896 -1.282 . . . . 0.0 109.896 178.125 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -64.25 -37.69 88.38 Favored 'General case' 0 CA--C 1.499 -1.001 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 173.668 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -132.16 -131.34 3.21 Favored Glycine 0 C--N 1.305 -1.142 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 -177.237 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -120.09 172.54 7.69 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-O 121.542 0.687 . . . . 0.0 111.614 -178.76 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.929 HG23 ' HB2' ' B' ' 73' ' ' GLU . 0.5 OUTLIER -122.66 135.29 63.22 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 CA-C-N 114.496 -1.229 . . . . 0.0 107.879 177.48 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.469 ' HA ' ' CZ ' ' B' ' 15' ' ' PHE 0.254 7.1 p30 -120.9 -156.75 0.69 Allowed 'General case' 0 C--N 1.305 -1.363 0 C-N-CA 118.899 -1.12 . . . . 0.0 110.907 175.251 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.624 ' O ' HG22 ' B' ' 75' ' ' VAL . 43.0 t80 -59.15 -42.55 90.96 Favored 'General case' 0 C--N 1.289 -2.061 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 -174.889 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.751 ' HG3' HG11 ' A' ' 83' ' ' VAL . 47.7 mt-30 -61.82 -44.82 96.09 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.835 179.025 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.929 ' HB2' HG23 ' B' ' 69' ' ' VAL . 55.2 mp0 -70.14 -38.69 75.58 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 120.206 -0.597 . . . . 0.0 110.49 175.267 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 74' ' ' TYR . . . . . 0.624 ' CE1' HD21 ' B' ' 36' ' ' LEU . 24.1 t80 -61.53 -47.59 84.89 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.022 -0.535 . . . . 0.0 112.379 -178.774 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.888 HG21 ' CB ' ' A' ' 79' ' ' ALA . 17.5 m -63.31 -41.71 93.75 Favored 'Isoleucine or valine' 0 C--O 1.237 0.413 0 C-N-CA 120.222 -0.591 . . . . 0.0 112.255 -178.038 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.412 ' O ' ' N ' ' B' ' 80' ' ' ALA . 10.2 p -64.43 -39.21 84.76 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 C-N-CA 120.576 -0.45 . . . . 0.0 111.098 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.693 HD23 HD21 ' B' ' 33' ' ' LEU . 58.3 tp -61.23 -48.52 81.1 Favored 'General case' 0 CA--C 1.516 -0.34 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.654 -179.174 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.759 HG12 HD23 ' B' ' 37' ' ' LEU . 17.5 m -67.93 -41.85 85.11 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.815 0 C-N-CA 119.911 -0.716 . . . . 0.0 110.389 177.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.728 ' CB ' HG21 ' A' ' 75' ' ' VAL . . . -63.81 -41.36 97.89 Favored 'General case' 0 CA--C 1.51 -0.579 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.989 178.066 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 80' ' ' ALA . . . . . 0.461 ' O ' HG12 ' B' ' 83' ' ' VAL . . . -57.7 -48.6 79.09 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 178.768 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' B' ' 81' ' ' LEU . 88.3 mt -63.14 -42.82 99.55 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.319 175.393 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.639 HG22 ' OD1' ' B' ' 86' ' ' ASN . 9.4 m -63.53 -49.91 71.62 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.655 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.461 HG12 ' O ' ' B' ' 80' ' ' ALA . 1.6 p -60.94 -43.71 96.49 Favored 'Isoleucine or valine' 0 C--O 1.238 0.496 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.465 178.416 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -58.28 -48.2 81.22 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 176.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 39.7 tpp -64.42 -40.0 94.91 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.19 178.327 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 86' ' ' ASN . . . . . 0.639 ' OD1' HG22 ' B' ' 82' ' ' THR . 13.7 m120 -61.37 -37.7 84.3 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.948 -177.472 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -46.33 -41.71 13.72 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-O 120.956 0.407 . . . . 0.0 110.232 -177.573 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -60.35 -47.23 86.94 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.687 171.129 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 89' ' ' PHE . . . . . 0.534 ' N ' ' O ' ' B' ' 86' ' ' ASN . 5.8 t80 . . . . . 0 C--N 1.312 -1.056 0 CA-C-N 115.627 -0.715 . . . . 0.0 112.392 -173.338 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 m . . . . . 0 N--CA 1.443 -0.816 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 56.8 mp0 -57.08 -41.14 78.26 Favored 'General case' 0 C--N 1.318 -0.773 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.231 -178.51 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.865 HD12 HD23 ' B' ' 11' ' ' LEU . 2.3 mm? -61.17 -44.17 97.72 Favored 'General case' 0 CA--C 1.514 -0.423 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 177.49 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 69.1 mt-10 -64.87 -44.18 90.55 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.572 179.032 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.0 m -61.96 -46.48 89.07 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.4 176.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.82 -48.68 77.44 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.059 -0.518 . . . . 0.0 109.851 178.047 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.686 ' HB3' HG21 ' B' ' 82' ' ' THR . 96.8 mmm -64.37 -41.87 96.47 Favored 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 120.481 -0.488 . . . . 0.0 111.038 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 84.9 mt-10 -65.89 -35.39 80.51 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 120.243 -0.583 . . . . 0.0 110.445 175.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 21.4 m -58.02 -43.69 86.85 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 175.583 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 1.014 HD23 HD12 ' B' ' 4' ' ' LEU . 84.1 mt -62.37 -40.03 95.12 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.257 174.231 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.749 HG21 ' OD1' ' B' ' 86' ' ' ASN . 24.3 mm -61.98 -44.36 98.82 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 179.257 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 37.9 m-80 -60.6 -42.82 97.53 Favored 'General case' 0 CA--C 1.508 -0.656 0 CA-C-O 120.925 0.393 . . . . 0.0 110.142 -176.713 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.707 HG11 ' HG2' ' A' ' 40' ' ' GLU . 84.4 t -67.54 -43.39 87.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.708 174.319 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.418 ' CE1' ' HB2' ' A' ' 28' ' ' LEU . 77.4 t80 -57.32 -48.07 79.9 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 -179.788 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.434 ' HD1' ' HA ' ' A' ' 16' ' ' HIS . 3.5 m-70 -66.54 -36.54 82.94 Favored 'General case' 0 CA--C 1.505 -0.767 0 CA-C-N 115.81 -0.632 . . . . 0.0 112.397 176.39 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.09 -44.95 67.97 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 177.729 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.514 ' CD2' HD13 ' A' ' 36' ' ' LEU . 96.6 m-70 -73.75 -35.39 65.02 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 116.001 -0.545 . . . . 0.0 112.047 174.752 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 34.0 m -51.44 -34.85 36.99 Favored 'General case' 0 N--CA 1.481 1.083 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 175.1 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.66 -33.41 86.61 Favored Glycine 0 CA--C 1.523 0.537 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.359 179.011 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -63.76 -45.66 88.82 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.432 0.634 . . . . 0.0 109.512 -176.031 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.42 ' H ' ' HG3' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -88.06 -48.77 7.49 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.24 -179.415 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.5 29.06 20.29 Favored Glycine 0 CA--C 1.529 0.952 0 CA-C-O 119.483 -0.621 . . . . 0.0 113.791 172.109 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -58.87 -46.03 88.78 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 173.609 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.445 ' NZ ' ' OH ' ' A' ' 26' ' ' TYR . 34.5 pttt 144.16 -53.46 0.01 OUTLIER 'General case' 0 CA--C 1.503 -0.835 0 C-N-CA 127.345 2.258 . . . . 0.0 108.992 175.445 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.531 ' O ' ' HG2' ' A' ' 27' ' ' LYS . 1.7 p90 -148.91 92.87 2.03 Favored 'General case' 0 N--CA 1.44 -0.948 0 CA-C-N 115.062 -0.972 . . . . 0.0 110.921 167.6 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.531 ' HG2' ' O ' ' A' ' 26' ' ' TYR . 1.0 OUTLIER -164.2 176.87 8.81 Favored 'General case' 0 C--N 1.31 -1.115 0 N-CA-C 105.697 -1.964 . . . . 0.0 105.697 174.373 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.491 HD21 HD23 ' A' ' 36' ' ' LEU . 51.7 tp -129.14 125.86 38.03 Favored 'General case' 0 C--N 1.305 -1.337 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 168.464 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.5 p -84.72 161.6 19.97 Favored 'General case' 0 N--CA 1.428 -1.554 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 178.385 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.576 ' NZ ' ' O ' ' A' ' 65' ' ' GLY . 8.0 mmmm -71.14 -5.5 32.21 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-O 121.17 0.51 . . . . 0.0 109.7 179.59 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 57.7 mttm -60.93 -47.42 86.52 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.134 -175.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.503 ' O ' ' N ' ' A' ' 36' ' ' LEU . 48.0 mm-40 -98.09 -24.41 15.33 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 114.235 -1.348 . . . . 0.0 111.796 -173.01 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.654 HD21 HD23 ' A' ' 77' ' ' LEU . 3.1 tm? -57.43 -46.97 82.97 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -167.733 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.485 ' HG3' ' N ' ' A' ' 35' ' ' GLU . 25.7 pttm -59.57 -45.31 92.22 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.494 0.664 . . . . 0.0 109.487 179.437 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.485 ' N ' ' HG3' ' A' ' 34' ' ' LYS . 82.2 mt-10 -68.68 -43.55 75.9 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 114.978 -1.01 . . . . 0.0 109.355 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.596 HD21 ' CE1' ' A' ' 74' ' ' TYR . 3.8 tp -61.24 -48.93 79.22 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-N 114.764 -1.107 . . . . 0.0 111.864 -178.496 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.816 HD21 HD12 ' A' ' 81' ' ' LEU . 2.0 tm? -62.27 -47.02 86.2 Favored 'General case' 0 C--N 1.31 -1.148 0 C-N-CA 119.756 -0.777 . . . . 0.0 110.721 -176.353 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.536 ' HA ' HD22 ' A' ' 45' ' ' LEU . 15.7 pt20 -66.35 -40.97 90.14 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 120.386 -0.525 . . . . 0.0 110.805 177.197 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.406 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 65.6 m -62.95 -52.1 64.31 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.417 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.707 ' HG2' HG11 ' A' ' 14' ' ' VAL . 0.2 OUTLIER -69.65 -40.38 76.51 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -178.199 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.556 HD22 HD21 ' A' ' 37' ' ' LEU . 10.7 mp -94.45 46.02 1.14 Allowed 'General case' 0 C--N 1.311 -1.079 0 C-N-CA 120.983 -0.287 . . . . 0.0 111.571 -178.103 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.5 m -56.92 -44.09 82.07 Favored 'General case' 0 C--O 1.241 0.606 0 C-N-CA 120.143 -0.623 . . . . 0.0 110.452 -175.726 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.43 -45.39 54.62 Favored Glycine 0 C--N 1.316 -0.551 0 N-CA-C 111.494 -0.642 . . . . 0.0 111.494 178.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.445 ' HD1' ' SD ' ' A' ' 85' ' ' MET . 39.3 m-85 -69.0 -41.47 77.77 Favored 'General case' 0 CA--C 1.505 -0.751 0 CA-C-O 121.212 0.53 . . . . 0.0 110.796 -178.881 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.536 HD22 ' HA ' ' A' ' 38' ' ' GLN . 43.0 tp -61.87 -46.64 88.54 Favored 'General case' 0 N--CA 1.436 -1.164 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.969 178.552 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -63.91 -42.41 97.41 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.105 0.479 . . . . 0.0 111.394 178.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.556 ' HB3' ' HG3' ' A' ' 85' ' ' MET . . . -61.7 -44.49 96.83 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.591 -0.731 . . . . 0.0 112.816 -174.005 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.499 ' HG2' ' HB2' ' A' ' 85' ' ' MET . 1.4 pp0? -114.8 41.96 2.26 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 -176.654 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.413 ' HG3' ' O ' ' A' ' 45' ' ' LEU . 8.9 mtpm? -62.2 -40.62 96.68 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.329 0.585 . . . . 0.0 109.627 174.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -65.77 -20.54 66.3 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.157 -0.929 . . . . 0.0 111.613 -176.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.584 ' O ' HG12 ' A' ' 54' ' ' VAL . 3.8 t -77.95 102.94 4.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 178.704 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -47.74 -30.53 3.96 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.552 -176.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.737 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -54.38 -29.08 47.42 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.683 179.333 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.584 HG12 ' O ' ' A' ' 51' ' ' VAL . 9.7 p -58.38 -44.7 89.11 Favored 'Isoleucine or valine' 0 C--O 1.234 0.255 0 C-N-CA 120.162 -0.615 . . . . 0.0 109.405 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.426 ' N ' HG13 ' A' ' 54' ' ' VAL . 21.8 t70 -60.89 -48.55 81.3 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-O 121.648 0.737 . . . . 0.0 109.749 177.623 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 47.6 mttp -64.54 -40.42 95.57 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 114.73 -1.123 . . . . 0.0 111.647 -179.641 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.737 HG23 ' O ' ' A' ' 53' ' ' ALA . 69.6 t -59.52 -45.23 94.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 178.508 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.782 ' SD ' HD12 ' A' ' 37' ' ' LEU . 7.2 mmm -61.01 -43.88 98.23 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.161 176.62 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.439 ' O ' ' HG3' ' A' ' 63' ' ' GLU . 28.4 ttpp -66.55 -50.91 61.6 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.038 -0.983 . . . . 0.0 112.361 -179.377 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -62.27 -45.42 93.35 Favored 'General case' 0 C--N 1.304 -1.388 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.826 -172.128 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.471 ' HG ' ' HB2' ' A' ' 77' ' ' LEU . 3.6 mm? -64.4 -39.55 94.08 Favored 'General case' 0 C--N 1.307 -1.272 0 C-N-CA 120.007 -0.677 . . . . 0.0 109.812 174.769 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.486 ' HA ' ' CE ' ' A' ' 30' ' ' LYS . 34.4 t70 -60.97 -42.02 97.53 Favored 'General case' 0 CA--C 1.51 -0.562 0 C-N-CA 120.438 -0.505 . . . . 0.0 110.776 177.114 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.439 ' HG3' ' O ' ' A' ' 59' ' ' LYS . 48.8 mt-10 -63.73 -40.87 97.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.944 0.402 . . . . 0.0 110.101 179.217 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -62.28 -43.71 98.2 Favored 'General case' 0 CA--C 1.505 -0.765 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.4 173.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.576 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . . . -73.63 49.67 1.69 Allowed Glycine 0 CA--C 1.505 -0.577 0 N-CA-C 110.221 -1.152 . . . . 0.0 110.221 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -63.4 -36.89 85.21 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 -178.252 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -96.96 -64.37 0.91 Allowed Glycine 0 C--N 1.32 -0.333 0 N-CA-C 110.373 -1.091 . . . . 0.0 110.373 176.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -143.0 -179.99 6.69 Favored 'General case' 0 CA--C 1.508 -0.64 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 178.203 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.524 HG11 ' HB2' ' A' ' 33' ' ' LEU . 2.4 p -122.49 128.38 75.36 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.916 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 168.819 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.601 ' CG ' ' N ' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -100.9 175.54 5.58 Favored 'General case' 0 C--N 1.314 -0.948 0 C-N-CA 120.501 -0.48 . . . . 0.0 111.767 -176.734 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.634 ' CD1' HD13 ' A' ' 12' ' ' ILE . 77.9 t80 -60.24 -45.5 93.03 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.029 -177.069 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.466 ' O ' HG22 ' A' ' 75' ' ' VAL . 50.5 mt-30 -60.17 -41.78 93.59 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.712 0.767 . . . . 0.0 109.268 177.836 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.453 ' O ' HG12 ' A' ' 76' ' ' VAL . 88.0 mt-10 -68.08 -41.24 82.19 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 114.902 -1.044 . . . . 0.0 109.577 177.542 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.596 ' CE1' HD21 ' A' ' 36' ' ' LEU . 28.8 t80 -61.25 -47.62 85.18 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.619 179.274 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.641 HG21 ' CB ' ' B' ' 79' ' ' ALA . 19.7 m -63.18 -41.55 93.21 Favored 'Isoleucine or valine' 0 C--O 1.236 0.384 0 C-N-CA 120.344 -0.542 . . . . 0.0 111.681 -177.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.453 HG12 ' O ' ' A' ' 73' ' ' GLU . 11.1 p -64.88 -37.65 80.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 C-N-CA 120.381 -0.528 . . . . 0.0 110.645 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.654 HD23 HD21 ' A' ' 33' ' ' LEU . 44.5 tp -61.02 -48.21 82.87 Favored 'General case' 0 CA--C 1.513 -0.462 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.478 178.817 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.63 HG12 HD23 ' A' ' 37' ' ' LEU . 17.8 m -68.7 -42.56 83.16 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.899 0 C-N-CA 120.048 -0.661 . . . . 0.0 111.066 177.372 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.722 ' CB ' HG21 ' B' ' 75' ' ' VAL . . . -62.61 -39.32 93.41 Favored 'General case' 0 CA--C 1.507 -0.677 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.498 178.462 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.47 -50.26 72.24 Favored 'General case' 0 CA--C 1.508 -0.649 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.816 HD12 HD21 ' A' ' 37' ' ' LEU . 95.4 mt -64.36 -42.07 96.39 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.604 175.326 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.425 ' O ' ' HB2' ' A' ' 86' ' ' ASN . 17.8 m -62.23 -48.53 79.55 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.033 -178.159 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.485 HG23 ' HH2' ' A' ' 90' ' ' TRP . 14.5 p -61.76 -45.77 97.97 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.239 0 C-N-CA 120.12 -0.632 . . . . 0.0 109.992 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.94 -50.77 72.04 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.672 177.406 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.556 ' HG3' ' HB3' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -65.64 -49.52 68.35 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-O 121.19 0.519 . . . . 0.0 111.122 -178.51 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.615 ' HB3' ' CZ2' ' A' ' 90' ' ' TRP . 3.1 t-20 -62.89 -31.2 72.2 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.93 -175.152 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.52 ' HA ' ' CE3' ' A' ' 90' ' ' TRP . 0.2 OUTLIER -46.45 -35.01 5.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.41 -0.813 . . . . 0.0 110.51 176.643 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -57.08 -44.36 83.03 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.137 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 64.5 m-85 -64.96 -41.87 95.1 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.704 178.828 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.615 ' CZ2' ' HB3' ' A' ' 86' ' ' ASN . 9.4 m0 . . . . . 0 CA--C 1.497 -1.081 0 CA-C-O 121.509 0.671 . . . . 0.0 109.392 -178.816 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 2' ' ' SER . . . . . 0.429 ' N ' ' OE1' ' B' ' 5' ' ' GLU . 6.7 m . . . . . 0 N--CA 1.45 -0.463 0 CA-C-O 120.94 0.4 . . . . 0.0 110.595 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 3' ' ' GLU . . . . . 0.419 ' O ' ' N ' ' B' ' 7' ' ' ALA . 49.0 mt-10 -57.91 -34.89 70.32 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 175.552 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 1.014 HD12 HD23 ' A' ' 11' ' ' LEU . 1.3 mm? -62.1 -42.34 99.12 Favored 'General case' 0 C--N 1.309 -1.194 0 CA-C-N 115.086 -0.961 . . . . 0.0 108.919 177.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 5' ' ' GLU . . . . . 0.429 ' OE1' ' N ' ' B' ' 2' ' ' SER . 45.9 mt-10 -64.52 -40.57 95.86 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 177.361 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 17.1 m -61.17 -44.81 96.72 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.381 -0.827 . . . . 0.0 108.901 173.104 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.419 ' N ' ' O ' ' B' ' 3' ' ' GLU . . . -58.35 -47.63 83.15 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.004 176.245 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 8' ' ' MET . . . . . 0.563 ' SD ' HD12 ' B' ' 11' ' ' LEU . 94.0 mmm -63.23 -41.42 99.11 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.788 177.601 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 9' ' ' GLU . . . . . 0.439 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 1.2 mm-40 -62.42 -38.84 91.24 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 176.068 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.5 ' O ' HG23 ' B' ' 14' ' ' VAL . 9.5 m -60.31 -43.02 96.71 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 175.738 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.865 HD23 HD12 ' A' ' 4' ' ' LEU . 70.4 mt -61.8 -42.94 99.64 Favored 'General case' 0 C--O 1.236 0.379 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 174.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.532 HG21 ' ND2' ' A' ' 86' ' ' ASN . 21.8 mm -63.58 -45.1 98.55 Favored 'Isoleucine or valine' 0 C--O 1.237 0.439 0 CA-C-O 121.068 0.461 . . . . 0.0 109.916 -179.522 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 13' ' ' ASN . . . . . 0.439 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 54.7 m-80 -62.01 -43.14 99.48 Favored 'General case' 0 CA--C 1.508 -0.664 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.844 -178.449 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.766 HG21 HD21 ' A' ' 4' ' ' LEU . 89.2 t -65.3 -46.46 90.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.236 176.349 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.564 ' CE1' ' HB2' ' B' ' 28' ' ' LEU . 90.3 t80 -58.88 -49.03 79.3 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.845 -178.381 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.457 ' HA ' ' OG ' ' B' ' 19' ' ' SER . 8.2 m-70 -71.35 -30.72 66.5 Favored 'General case' 0 CA--C 1.506 -0.721 0 N-CA-C 113.3 0.852 . . . . 0.0 113.3 178.282 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.03 -41.03 74.35 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 173.485 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.82 ' CD2' HD13 ' B' ' 36' ' ' LEU . 85.8 m-70 -74.62 -38.42 62.56 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.549 -0.75 . . . . 0.0 112.15 174.49 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.457 ' OG ' ' HA ' ' B' ' 16' ' ' HIS . 34.6 m -50.51 -35.9 31.45 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 178.456 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -56.71 -36.26 71.1 Favored Glycine 0 CA--C 1.524 0.631 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.587 -178.176 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' LYS . . . . . 0.573 ' HD3' ' HA ' ' B' ' 18' ' ' HIS . 0.2 OUTLIER -63.55 -44.62 93.64 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 122.425 -0.456 . . . . 0.0 111.365 179.57 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.547 ' O ' ' N ' ' B' ' 24' ' ' ASP . 0.0 OUTLIER -150.15 -45.55 0.13 Allowed 'General case' 0 C--O 1.236 0.352 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 -175.099 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 23' ' ' GLY . . . . . 0.45 ' N ' ' OE1' ' B' ' 22' ' ' GLU . . . -57.77 59.77 0.01 OUTLIER Glycine 0 CA--C 1.526 0.779 0 CA-C-N 115.581 -0.736 . . . . 0.0 113.813 -169.311 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 24' ' ' ASP . . . . . 0.547 ' N ' ' O ' ' B' ' 22' ' ' GLU . 6.0 t70 39.74 -156.68 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 122.882 0.473 . . . . 0.0 110.453 176.262 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.524 ' HD2' ' CZ ' ' B' ' 26' ' ' TYR . 2.4 pttt -68.14 -47.86 66.92 Favored 'General case' 0 CA--C 1.508 -0.653 0 C-N-CA 118.417 -1.313 . . . . 0.0 108.902 177.345 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.524 ' CZ ' ' HD2' ' B' ' 25' ' ' LYS . 0.1 OUTLIER -134.66 92.5 2.91 Favored 'General case' 0 N--CA 1.445 -0.675 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.649 174.422 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.491 ' HG2' ' O ' ' B' ' 26' ' ' TYR . 3.2 mmtm -165.64 -174.92 3.28 Favored 'General case' 0 CA--C 1.507 -0.688 0 C-N-CA 124.921 1.288 . . . . 0.0 108.159 171.57 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.571 HD21 HD23 ' B' ' 36' ' ' LEU . 48.4 tp -144.41 135.44 25.18 Favored 'General case' 0 C--N 1.307 -1.246 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 170.685 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -102.62 163.81 12.01 Favored 'General case' 0 C--N 1.309 -1.183 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 178.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.516 ' NZ ' ' O ' ' B' ' 65' ' ' GLY . 0.3 OUTLIER -70.18 -6.91 37.66 Favored 'General case' 0 CA--C 1.509 -0.631 0 C-N-CA 119.49 -0.884 . . . . 0.0 109.449 -178.284 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 42.4 mttm -64.55 -47.87 77.17 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 107.603 -1.258 . . . . 0.0 107.603 -177.532 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.507 ' OE1' ' NZ ' ' B' ' 21' ' ' LYS . 52.6 mm-40 -89.0 -42.45 11.76 Favored 'General case' 0 C--O 1.222 -0.386 0 CA-C-N 114.154 -1.384 . . . . 0.0 111.785 178.819 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.815 HD11 ' CD2' ' B' ' 77' ' ' LEU . 2.6 tm? -52.72 -47.08 67.58 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 120.627 0.251 . . . . 0.0 111.239 -168.42 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.44 ' HG3' ' N ' ' B' ' 35' ' ' GLU . 16.9 pttp -58.85 -44.26 90.98 Favored 'General case' 0 C--N 1.309 -1.172 0 C-N-CA 120.167 -0.613 . . . . 0.0 110.509 178.332 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.44 ' N ' ' HG3' ' B' ' 34' ' ' LYS . 48.1 mm-40 -69.2 -45.89 68.79 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 122.027 0.918 . . . . 0.0 108.784 179.167 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.82 HD13 ' CD2' ' B' ' 18' ' ' HIS . 2.8 tp -60.83 -48.21 82.85 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 114.263 -1.335 . . . . 0.0 111.786 -178.049 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.747 HD11 ' CD1' ' B' ' 81' ' ' LEU . 2.3 tm? -62.62 -47.18 84.87 Favored 'General case' 0 C--N 1.311 -1.099 0 C-N-CA 120.112 -0.635 . . . . 0.0 111.105 -176.836 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.562 ' HB2' ' CD2' ' B' ' 45' ' ' LEU . 3.8 pt20 -66.02 -40.48 91.08 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 119.903 -0.719 . . . . 0.0 110.792 177.245 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.405 ' N ' ' HG3' ' B' ' 38' ' ' GLN . 98.3 m -63.74 -52.36 60.78 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 115.665 -0.698 . . . . 0.0 112.25 -177.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.735 ' HG2' HD12 ' B' ' 36' ' ' LEU . 56.5 mm-40 -73.4 -41.01 63.83 Favored 'General case' 0 C--N 1.332 -0.155 0 C-N-CA 120.159 -0.617 . . . . 0.0 112.261 -175.871 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 9.6 mp -96.02 35.96 1.36 Allowed 'General case' 0 CA--C 1.51 -0.563 0 CA-C-O 121.149 0.499 . . . . 0.0 109.9 -179.223 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -57.88 -36.59 72.61 Favored 'General case' 0 N--CA 1.442 -0.873 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.146 -176.476 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.88 -46.34 67.71 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 176.715 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.453 ' O ' ' HG3' ' B' ' 48' ' ' GLN . 15.3 m-85 -66.87 -43.91 82.29 Favored 'General case' 0 CA--C 1.496 -1.117 0 CA-C-O 121.26 0.552 . . . . 0.0 110.055 176.762 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.562 ' CD2' ' HB2' ' B' ' 38' ' ' GLN . 14.6 tp -61.32 -50.05 74.53 Favored 'General case' 0 N--CA 1.434 -1.269 0 CA-C-N 115.188 -0.914 . . . . 0.0 111.881 -177.016 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -61.21 -35.42 77.14 Favored 'General case' 0 C--N 1.305 -1.327 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.062 -177.809 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.22 -39.54 86.97 Favored 'General case' 0 C--N 1.309 -1.178 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.306 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.568 ' HG2' ' SD ' ' B' ' 85' ' ' MET . 1.1 pp0? -125.26 38.75 4.12 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 113.758 1.021 . . . . 0.0 113.758 -176.136 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.413 ' HG3' ' O ' ' B' ' 45' ' ' LEU . 5.7 mtpm? -61.7 -39.04 90.07 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 119.734 -0.787 . . . . 0.0 109.188 175.498 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -68.27 -28.81 67.53 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 114.977 -1.01 . . . . 0.0 112.208 -178.157 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 3.3 t -74.25 154.46 6.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 121.278 0.561 . . . . 0.0 112.349 -171.412 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.407 ' HB3' ' CE ' ' B' ' 56' ' ' LYS . 34.6 m-20 -61.91 -39.03 90.62 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.858 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.487 ' O ' HG23 ' B' ' 57' ' ' VAL . . . -49.03 -50.18 37.56 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 112.497 0.555 . . . . 0.0 112.497 -171.283 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.584 ' HA ' HD21 ' B' ' 81' ' ' LEU . 8.5 p -58.48 -46.81 89.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 C-N-CA 119.685 -0.806 . . . . 0.0 111.305 -175.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.491 ' O ' ' HB2' ' B' ' 59' ' ' LYS . 26.0 t70 -60.39 -49.96 75.51 Favored 'General case' 0 CA--C 1.508 -0.655 0 C-N-CA 119.737 -0.785 . . . . 0.0 110.302 177.445 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 56' ' ' LYS . . . . . 0.407 ' CE ' ' HB3' ' B' ' 52' ' ' ASP . 68.0 mttm -67.17 -42.59 84.01 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-N 114.996 -1.002 . . . . 0.0 112.043 -176.029 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.487 HG23 ' O ' ' B' ' 53' ' ' ALA . 47.1 t -62.78 -46.29 96.72 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.705 0 CA-C-O 121.408 0.623 . . . . 0.0 109.592 -179.147 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 51.8 ttp -60.84 -39.97 91.07 Favored 'General case' 0 N--CA 1.428 -1.56 0 CA-C-N 114.763 -1.108 . . . . 0.0 109.852 173.394 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 59' ' ' LYS . . . . . 0.679 ' NZ ' ' HB2' ' B' ' 59' ' ' LYS . 0.0 OUTLIER -63.23 -46.72 85.64 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.291 -179.46 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -64.13 -44.53 91.91 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.628 -0.714 . . . . 0.0 111.847 -177.321 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.429 ' N ' ' CD2' ' B' ' 61' ' ' LEU . 2.6 mm? -83.35 -10.78 58.26 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-O 120.984 0.421 . . . . 0.0 111.297 -176.643 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.463 ' OD1' ' NZ ' ' B' ' 30' ' ' LYS . 36.5 t70 -63.38 -37.14 86.12 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 120.581 -0.448 . . . . 0.0 111.223 -178.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.01 -48.86 79.96 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 124.043 0.839 . . . . 0.0 110.947 -174.213 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 64' ' ' ASN . . . . . 0.484 ' C ' ' H ' ' B' ' 66' ' ' ASP . 11.5 m-80 -62.76 -41.57 99.28 Favored 'General case' 0 CA--C 1.495 -1.157 0 CA-C-O 121.224 0.535 . . . . 0.0 110.032 175.622 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 65' ' ' GLY . . . . . 0.516 ' O ' ' NZ ' ' B' ' 30' ' ' LYS . . . -72.26 38.23 0.68 Allowed Glycine 0 N--CA 1.44 -1.086 0 N-CA-C 110.771 -0.932 . . . . 0.0 110.771 177.555 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.484 ' H ' ' C ' ' B' ' 64' ' ' ASN . 10.5 t70 -61.32 -38.25 86.19 Favored 'General case' 0 CA--C 1.506 -0.723 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 177.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -131.96 -42.04 0.19 Allowed Glycine 0 C--N 1.308 -0.976 0 N-CA-C 110.062 -1.215 . . . . 0.0 110.062 176.645 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.461 ' OE1' ' NZ ' ' B' ' 27' ' ' LYS . 28.3 mt-10 -136.11 153.38 51.32 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.713 -0.243 . . . . 0.0 110.579 -178.174 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.438 HG13 ' HB3' ' B' ' 28' ' ' LEU . 2.2 p -126.69 128.34 70.96 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.06 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 170.53 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.546 ' CG ' ' N ' ' B' ' 71' ' ' PHE . 6.0 t70 -93.04 173.07 7.92 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 120.876 0.369 . . . . 0.0 111.77 -174.36 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.546 ' N ' ' CG ' ' B' ' 70' ' ' ASP . 75.8 t80 -59.03 -44.4 91.74 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.06 -178.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.434 ' HG3' HG11 ' A' ' 83' ' ' VAL . 34.2 mt-30 -57.52 -43.15 84.08 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.46 -0.571 . . . . 0.0 109.46 177.475 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -69.01 -39.26 79.4 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.993 177.809 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 74' ' ' TYR . . . . . 0.555 ' CE1' HD21 ' B' ' 36' ' ' LEU . 42.3 t80 -61.12 -47.8 84.58 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.63 179.289 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.722 HG21 ' CB ' ' A' ' 79' ' ' ALA . 20.4 m -62.78 -42.3 95.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 C-N-CA 120.155 -0.618 . . . . 0.0 111.759 -178.309 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.449 HG23 ' HB3' ' A' ' 72' ' ' GLN . 8.4 p -65.26 -39.39 85.25 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.596 0 C-N-CA 119.916 -0.714 . . . . 0.0 110.588 179.123 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.815 ' CD2' HD11 ' B' ' 33' ' ' LEU . 56.9 tp -61.56 -48.15 82.31 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.116 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.738 HG12 HD23 ' B' ' 37' ' ' LEU . 16.5 m -68.69 -40.34 81.5 Favored 'Isoleucine or valine' 0 C--O 1.243 0.749 0 C-N-CA 120.027 -0.669 . . . . 0.0 110.464 176.691 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.641 ' CB ' HG21 ' A' ' 75' ' ' VAL . . . -61.15 -40.35 93.51 Favored 'General case' 0 CA--C 1.502 -0.882 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.391 178.568 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 80' ' ' ALA . . . . . 0.516 ' O ' HG12 ' B' ' 83' ' ' VAL . . . -57.51 -49.03 77.65 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 -178.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.747 ' CD1' HD11 ' B' ' 37' ' ' LEU . 89.9 mt -63.59 -42.07 98.29 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.89 174.031 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.686 HG21 ' HB3' ' A' ' 8' ' ' MET . 18.8 m -62.16 -49.56 75.34 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.395 -179.276 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.516 HG12 ' O ' ' B' ' 80' ' ' ALA . 1.1 p -62.41 -42.41 95.5 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 179.642 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -58.55 -54.17 50.07 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.341 177.088 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 85' ' ' MET . . . . . 0.568 ' SD ' ' HG2' ' B' ' 48' ' ' GLN . 81.6 mmm -64.5 -42.73 95.66 Favored 'General case' 0 CA--C 1.51 -0.583 0 C-N-CA 120.198 -0.601 . . . . 0.0 111.589 177.639 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 86' ' ' ASN . . . . . 0.749 ' OD1' HG21 ' A' ' 12' ' ' ILE . 2.4 t-20 -64.16 -39.39 93.9 Favored 'General case' 0 C--N 1.313 -0.983 0 C-N-CA 120.263 -0.575 . . . . 0.0 109.784 179.351 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 87' ' ' ASN . . . . . 0.412 ' N ' ' O ' ' B' ' 83' ' ' VAL . 27.7 t30 -60.25 -41.35 93.03 Favored 'General case' 0 CA--C 1.503 -0.86 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.043 174.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -60.29 -42.91 96.46 Favored 'General case' 0 N--CA 1.443 -0.802 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 174.348 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 . . . . . 0 C--O 1.235 0.334 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 177.604 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.253 1.244 0 CA-C-O 120.909 0.385 . . . . 0.0 110.855 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -63.49 -37.98 89.39 Favored 'General case' 0 CA--C 1.506 -0.744 0 C-N-CA 120.373 -0.531 . . . . 0.0 109.815 175.684 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.839 HD13 ' CD2' ' B' ' 11' ' ' LEU . 0.5 OUTLIER -59.99 -47.1 87.2 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.783 -177.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.4 ' HG2' ' CD2' ' B' ' 44' ' ' PHE . 99.7 mt-10 -63.07 -44.82 94.71 Favored 'General case' 0 N--CA 1.446 -0.67 0 C-N-CA 119.904 -0.719 . . . . 0.0 109.737 178.403 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.3 m -63.5 -46.75 84.66 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 115.113 -0.949 . . . . 0.0 110.94 177.819 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.79 -47.09 85.95 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.371 0.605 . . . . 0.0 109.693 179.324 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.674 ' HB3' HG21 ' B' ' 82' ' ' THR . 97.1 mmm -63.21 -42.01 99.22 Favored 'General case' 0 N--CA 1.443 -0.811 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.073 179.03 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.452 ' HG2' ' ND2' ' B' ' 86' ' ' ASN . 93.8 mt-10 -65.91 -33.96 77.03 Favored 'General case' 0 CA--C 1.515 -0.39 0 C-N-CA 119.951 -0.699 . . . . 0.0 111.541 175.468 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.709 HG22 ' CD1' ' B' ' 4' ' ' LEU . 18.6 m -56.44 -44.07 80.07 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 176.294 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.964 HD11 ' SD ' ' B' ' 8' ' ' MET . 97.3 mt -64.45 -39.56 94.06 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.615 172.859 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.638 HD13 ' CD1' ' A' ' 71' ' ' PHE . 17.2 mm -62.0 -43.98 98.33 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 -177.303 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 59.5 m-80 -61.33 -41.41 96.97 Favored 'General case' 0 CA--C 1.502 -0.904 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.698 -177.315 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 73.0 t -62.85 -46.05 97.31 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 174.283 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.529 ' CE1' ' HB2' ' A' ' 28' ' ' LEU . 77.0 t80 -59.87 -47.31 86.27 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.195 179.552 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -65.96 -42.66 89.64 Favored 'General case' 0 C--O 1.245 0.836 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 178.248 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.23 -46.56 79.5 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 179.112 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.44 ' HA ' ' HG2' ' A' ' 21' ' ' LYS . 92.2 m-70 -74.28 -31.57 62.58 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.071 176.623 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 70.4 m -55.66 -40.99 73.0 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-O 121.451 0.643 . . . . 0.0 109.708 178.262 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.02 -21.05 51.96 Favored Glycine 0 CA--C 1.526 0.726 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.88 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.44 ' HG2' ' HA ' ' A' ' 18' ' ' HIS . 31.1 mmtp -65.92 -44.13 86.08 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -172.29 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.548 ' HG3' ' H ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -89.58 -66.29 0.94 Allowed 'General case' 0 C--O 1.236 0.384 0 N-CA-C 113.32 0.859 . . . . 0.0 113.32 -171.914 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.548 ' H ' ' HG3' ' A' ' 22' ' ' GLU . . . 176.35 -37.06 0.1 OUTLIER Glycine 0 CA--C 1.527 0.786 0 C-N-CA 120.476 -0.869 . . . . 0.0 112.949 -179.597 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -65.02 151.08 46.9 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-N 117.268 0.534 . . . . 0.0 111.578 -176.111 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.1 pttt -56.63 -41.39 77.04 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.002 175.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.4 ' CD1' ' O ' ' A' ' 26' ' ' TYR . 14.1 p90 -157.08 93.08 1.31 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.407 0.622 . . . . 0.0 111.633 172.488 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.444 ' HA ' ' HD2' ' A' ' 27' ' ' LYS . 9.7 mmmm -154.03 157.97 39.85 Favored 'General case' 0 C--N 1.305 -1.343 0 N-CA-C 107.137 -1.431 . . . . 0.0 107.137 171.357 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.529 ' HB2' ' CE1' ' A' ' 15' ' ' PHE . 40.1 tp -121.1 120.11 34.37 Favored 'General case' 0 C--N 1.305 -1.343 0 CA-C-O 121.443 0.64 . . . . 0.0 109.624 -177.658 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.5 p -79.42 158.5 27.33 Favored 'General case' 0 N--CA 1.431 -1.386 0 CA-C-N 115.121 -0.945 . . . . 0.0 110.101 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.693 ' NZ ' ' HA ' ' A' ' 62' ' ' ASP . 12.6 mmmm -69.59 -6.13 29.08 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.799 0.809 . . . . 0.0 109.067 174.094 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -62.8 -45.3 93.3 Favored 'General case' 0 N--CA 1.441 -0.902 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 176.324 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.472 ' O ' ' HB3' ' A' ' 36' ' ' LEU . 59.2 mm-40 -97.79 -41.96 7.81 Favored 'General case' 0 N--CA 1.438 -1.066 0 CA-C-N 114.091 -1.413 . . . . 0.0 110.986 -176.382 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.826 HD21 HD23 ' A' ' 77' ' ' LEU . 2.7 tm? -50.46 -50.41 52.51 Favored 'General case' 0 CA--C 1.516 -0.36 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -168.821 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.1 pttp -64.15 -47.12 81.11 Favored 'General case' 0 C--N 1.314 -0.96 0 C-N-CA 118.877 -1.129 . . . . 0.0 111.008 179.144 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 80.0 mt-10 -69.73 -44.61 69.95 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.188 -174.55 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.568 ' O ' HD12 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -63.22 -44.01 96.48 Favored 'General case' 0 C--N 1.311 -1.094 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.838 173.345 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.637 HD23 HG12 ' A' ' 78' ' ' VAL . 2.9 tm? -61.29 -45.99 92.2 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 120.49 -0.484 . . . . 0.0 110.401 -178.187 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.458 ' HA ' HD22 ' A' ' 45' ' ' LEU . 6.0 pt20 -65.79 -44.05 86.91 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 119.605 -0.838 . . . . 0.0 111.272 177.691 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.422 HG22 ' N ' ' A' ' 40' ' ' GLU . 0.7 OUTLIER -64.37 -52.14 59.78 Favored 'General case' 0 N--CA 1.439 -0.989 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -177.39 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.422 ' N ' HG22 ' A' ' 39' ' ' THR . 75.1 mm-40 -71.85 -41.07 68.53 Favored 'General case' 0 C--O 1.238 0.488 0 C-N-CA 119.922 -0.711 . . . . 0.0 111.309 -174.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.548 HD22 HD21 ' A' ' 37' ' ' LEU . 10.9 mp -98.82 28.05 4.55 Favored 'General case' 0 C--O 1.242 0.691 0 CA-C-O 121.133 0.492 . . . . 0.0 110.282 -179.487 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.52 -33.6 60.23 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.498 -176.522 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -66.52 -49.91 52.91 Favored Glycine 0 C--N 1.317 -0.472 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 176.416 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.488 ' HD1' ' SD ' ' A' ' 85' ' ' MET . 40.4 m-85 -67.64 -42.6 82.03 Favored 'General case' 0 CA--C 1.489 -1.378 0 CA-C-O 121.265 0.555 . . . . 0.0 109.998 178.005 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.458 HD22 ' HA ' ' A' ' 38' ' ' GLN . 49.9 tp -61.49 -47.16 86.9 Favored 'General case' 0 N--CA 1.428 -1.554 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.666 -178.613 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -66.34 -40.08 89.63 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.827 0.346 . . . . 0.0 111.304 176.641 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.732 ' HB3' ' SD ' ' A' ' 85' ' ' MET . . . -62.61 -41.25 98.88 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.811 -177.221 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.426 ' HB2' ' CG2' ' A' ' 51' ' ' VAL . 1.6 pp0? -129.24 39.95 3.69 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.681 0.623 . . . . 0.0 112.681 -179.5 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 46.6 tttm -60.22 -46.14 90.77 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.141 0.496 . . . . 0.0 109.663 178.632 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.405 ' C ' ' H ' ' A' ' 52' ' ' ASP . 17.8 t70 -69.8 -20.71 63.45 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.443 -0.799 . . . . 0.0 112.498 -177.671 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.481 ' O ' ' N ' ' A' ' 53' ' ' ALA . 84.1 t -57.74 -2.32 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -172.399 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.424 ' OD1' ' NZ ' ' A' ' 56' ' ' LYS . 34.3 t70 61.53 -40.0 0.13 Allowed 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 175.042 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.484 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -52.18 -35.41 48.82 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 178.081 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.478 ' HA ' HD21 ' A' ' 81' ' ' LEU . 2.4 p -58.64 -42.18 84.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.155 175.504 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.41 ' O ' ' N ' ' A' ' 59' ' ' LYS . 35.0 t70 -61.47 -46.45 89.99 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.324 0.583 . . . . 0.0 109.892 175.242 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.6 ' CD ' ' N ' ' A' ' 56' ' ' LYS . 4.1 mptt -65.68 -40.01 91.91 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.37 -179.611 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.731 HG12 HD12 ' A' ' 77' ' ' LEU . 73.3 t -65.05 -44.31 95.85 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.986 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 176.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 51.2 ttm -61.67 -36.99 82.43 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 114.493 -1.23 . . . . 0.0 110.185 175.496 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.447 ' NZ ' ' OE2' ' A' ' 63' ' ' GLU . 16.4 tptp -58.61 -43.83 89.71 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.254 -177.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -60.31 -41.92 94.49 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 177.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.771 ' HG ' HD22 ' A' ' 77' ' ' LEU . 2.0 mm? -63.06 -41.1 99.39 Favored 'General case' 0 C--O 1.243 0.749 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.799 175.072 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.693 ' HA ' ' NZ ' ' A' ' 30' ' ' LYS . 50.9 m-20 -66.53 -41.08 89.29 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 120.547 -0.461 . . . . 0.0 111.86 175.38 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.447 ' OE2' ' NZ ' ' A' ' 59' ' ' LYS . 91.5 mt-10 -65.67 -46.35 79.43 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 177.466 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.49 ' O ' ' N ' ' A' ' 66' ' ' ASP . 38.5 t-20 -64.95 -42.39 94.65 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.698 178.314 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 61' ' ' LEU . . . -62.03 42.3 0.06 OUTLIER Glycine 0 N--CA 1.465 0.583 0 CA-C-N 115.735 -0.666 . . . . 0.0 113.059 -173.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.49 ' N ' ' O ' ' A' ' 64' ' ' ASN . 38.7 t70 -63.67 -37.5 87.57 Favored 'General case' 0 CA--C 1.507 -0.676 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 174.881 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.406 ' O ' ' HG3' ' A' ' 68' ' ' GLU . . . -120.22 -68.67 0.29 Allowed Glycine 0 C--N 1.317 -0.479 0 N-CA-C 110.476 -1.05 . . . . 0.0 110.476 177.796 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.437 ' HB2' ' HE2' ' A' ' 27' ' ' LYS . 0.6 OUTLIER -146.84 171.81 14.62 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.494 HG13 ' O ' ' A' ' 28' ' ' LEU . 0.4 OUTLIER -113.42 132.24 62.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 170.003 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.412 ' O ' ' N ' ' A' ' 74' ' ' TYR . 0.0 OUTLIER -92.31 -178.86 5.06 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.439 -0.504 . . . . 0.0 110.302 -177.624 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.638 ' CD1' HD13 ' A' ' 12' ' ' ILE . 75.7 t80 -60.42 -45.14 94.69 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.899 0.38 . . . . 0.0 110.243 179.382 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -59.52 -42.1 91.46 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.457 ' O ' HG12 ' A' ' 76' ' ' VAL . 96.3 mt-10 -70.17 -41.43 73.8 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.979 176.062 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.412 ' N ' ' O ' ' A' ' 70' ' ' ASP . 43.0 t80 -61.37 -47.68 84.71 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 177.597 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.946 HG21 ' CB ' ' B' ' 79' ' ' ALA . 19.6 m -62.43 -42.43 95.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 C-N-CA 120.075 -0.65 . . . . 0.0 112.217 -177.763 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.457 HG12 ' O ' ' A' ' 73' ' ' GLU . 12.2 p -64.26 -37.58 80.29 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.713 0 C-N-CA 120.252 -0.579 . . . . 0.0 110.355 -178.309 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.826 HD23 HD21 ' A' ' 33' ' ' LEU . 54.2 tp -60.73 -50.25 74.23 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.283 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.637 HG12 HD23 ' A' ' 37' ' ' LEU . 16.8 m -69.26 -42.15 81.34 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.654 177.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.736 ' CB ' HG21 ' B' ' 75' ' ' VAL . . . -62.44 -44.88 95.37 Favored 'General case' 0 CA--C 1.511 -0.534 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.19 -179.5 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.68 -42.13 92.22 Favored 'General case' 0 CA--C 1.509 -0.62 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.478 HD21 ' HA ' ' A' ' 54' ' ' VAL . 95.4 mt -64.33 -41.62 96.71 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.301 174.662 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.484 ' O ' ' HB2' ' A' ' 86' ' ' ASN . 19.4 m -61.61 -51.31 69.04 Favored 'General case' 0 N--CA 1.445 -0.705 0 C-N-CA 120.341 -0.544 . . . . 0.0 109.833 -179.004 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.7 HG11 ' HG3' ' B' ' 72' ' ' GLN . 5.7 p -66.02 -36.84 78.44 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.218 0 C-N-CA 120.77 -0.372 . . . . 0.0 111.029 176.464 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.22 -50.7 68.74 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 120.426 -0.51 . . . . 0.0 110.4 178.322 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.732 ' SD ' ' HB3' ' A' ' 47' ' ' ALA . 23.1 ttp -74.95 -45.94 38.89 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 119.805 -0.758 . . . . 0.0 110.522 178.116 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.586 ' HB3' ' CZ2' ' A' ' 90' ' ' TRP . 0.5 OUTLIER -59.49 -30.06 68.28 Favored 'General case' 0 CA--C 1.507 -0.702 0 C-N-CA 120.59 -0.444 . . . . 0.0 109.963 -177.907 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -54.24 -39.07 66.45 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.016 173.759 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -59.56 -45.08 92.87 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 174.794 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -61.2 -42.94 99.47 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 119.708 -0.797 . . . . 0.0 109.596 175.74 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.774 ' HZ2' HD12 ' B' ' 12' ' ' ILE . 15.2 m0 . . . . . 0 CA--C 1.498 -1.043 0 CA-C-O 121.064 0.459 . . . . 0.0 110.384 -177.659 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 40.2 m . . . . . 0 N--CA 1.454 -0.24 0 CA-C-O 120.679 0.276 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 3' ' ' GLU . . . . . 0.557 ' H ' ' CD ' ' B' ' 3' ' ' GLU . 1.4 mp0 -50.08 -20.56 1.0 Allowed 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.72 178.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.709 ' CD1' HG22 ' A' ' 10' ' ' THR . 1.3 mm? -59.89 -40.58 89.21 Favored 'General case' 0 N--CA 1.436 -1.131 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 178.293 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 5' ' ' GLU . . . . . 0.434 ' HG2' ' HD2' ' A' ' 44' ' ' PHE . 94.2 mt-10 -60.64 -43.57 97.39 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 120.169 -0.613 . . . . 0.0 109.639 176.514 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 8.2 m -61.72 -45.33 94.42 Favored 'General case' 0 N--CA 1.445 -0.724 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 175.267 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.26 -44.01 97.94 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.559 177.73 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 8' ' ' MET . . . . . 0.964 ' SD ' HD11 ' A' ' 11' ' ' LEU . 96.5 mmm -63.6 -42.61 98.23 Favored 'General case' 0 CA--C 1.514 -0.414 0 C-N-CA 120.467 -0.493 . . . . 0.0 110.477 177.452 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -68.14 -27.4 66.4 Favored 'General case' 0 N--CA 1.442 -0.852 0 C-N-CA 119.098 -1.041 . . . . 0.0 111.837 175.335 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 10.4 m -57.81 -43.03 85.45 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 174.186 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.839 ' CD2' HD13 ' A' ' 4' ' ' LEU . 96.9 mt -63.13 -40.35 97.33 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 174.29 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.774 HD12 ' HZ2' ' A' ' 90' ' ' TRP . 22.4 mm -63.1 -43.81 99.15 Favored 'Isoleucine or valine' 0 C--O 1.239 0.534 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 -179.495 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 47.5 m-80 -61.66 -44.63 96.59 Favored 'General case' 0 CA--C 1.506 -0.742 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.625 -175.579 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.456 HG11 HD21 ' A' ' 4' ' ' LEU . 26.8 m -66.26 -39.37 84.07 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.047 0 CA-C-O 121.192 0.52 . . . . 0.0 109.926 175.437 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -59.04 -48.79 80.3 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.172 178.54 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 -64.63 -40.71 95.96 Favored 'General case' 0 CA--C 1.499 -1.006 0 N-CA-C 112.011 0.375 . . . . 0.0 112.011 175.255 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.19 -49.82 65.91 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 179.537 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.571 ' CD2' HD22 ' B' ' 36' ' ' LEU . 96.8 m-70 -71.67 -36.28 70.59 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.428 -0.806 . . . . 0.0 112.348 177.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.511 ' HA ' ' O ' ' B' ' 27' ' ' LYS . 67.6 m -52.76 -37.64 59.78 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-O 121.284 0.564 . . . . 0.0 110.457 178.195 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.77 -25.99 59.67 Favored Glycine 0 N--CA 1.443 -0.852 0 CA-C-N 115.538 -0.756 . . . . 0.0 111.233 179.175 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 21' ' ' LYS . . . . . 0.453 ' HG3' ' CD ' ' B' ' 32' ' ' GLU . 34.2 mmtp -66.63 -47.17 73.44 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-O 120.701 0.286 . . . . 0.0 110.49 -176.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.458 ' OE1' ' N ' ' B' ' 29' ' ' SER . 3.6 pt-20 -88.65 -37.91 15.22 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.639 178.883 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.91 21.97 64.72 Favored Glycine 0 CA--C 1.529 0.93 0 CA-C-N 116.101 -0.499 . . . . 0.0 113.428 173.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 39.2 t70 -58.96 -47.76 83.95 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 177.14 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.537 ' CG ' ' H ' ' B' ' 26' ' ' TYR . 0.0 OUTLIER 160.59 -67.46 0.0 OUTLIER 'General case' 0 CA--C 1.508 -0.67 0 C-N-CA 125.191 1.396 . . . . 0.0 109.282 172.499 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.537 ' H ' ' CG ' ' B' ' 25' ' ' LYS . 0.3 OUTLIER -132.05 94.49 3.48 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 166.179 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.511 ' O ' ' HA ' ' B' ' 19' ' ' SER . 6.3 mmtp -153.49 158.39 41.27 Favored 'General case' 0 CA--C 1.467 -2.241 0 CA-C-N 115.1 -0.954 . . . . 0.0 110.363 -175.608 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.609 ' O ' HG13 ' B' ' 69' ' ' VAL . 46.2 tp -125.47 117.31 23.36 Favored 'General case' 0 N--CA 1.406 -2.638 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 166.705 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.458 ' N ' ' OE1' ' B' ' 22' ' ' GLU . 11.5 p -82.31 164.58 21.02 Favored 'General case' 0 C--N 1.297 -1.687 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.41 -178.082 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.685 ' NZ ' ' HA ' ' B' ' 62' ' ' ASP . 10.5 mmmm -71.62 -5.94 37.21 Favored 'General case' 0 C--N 1.314 -0.937 0 C-N-CA 120.075 -0.65 . . . . 0.0 110.171 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.407 ' H ' ' HG3' ' B' ' 31' ' ' LYS . 33.6 mttm -65.51 -70.77 0.22 Allowed 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 176.456 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.465 ' HB3' ' ND1' ' B' ' 18' ' ' HIS . 46.9 mm-40 -69.7 -35.82 75.41 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.612 -1.176 . . . . 0.0 111.633 -178.004 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.751 HD21 HD23 ' B' ' 77' ' ' LEU . 1.5 tm? -57.07 -46.26 82.62 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.948 -170.149 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.656 ' HZ3' ' HB2' ' B' ' 34' ' ' LYS . 14.7 mtmm -64.87 -46.7 80.72 Favored 'General case' 0 C--N 1.312 -1.024 0 C-N-CA 119.878 -0.729 . . . . 0.0 109.737 -178.758 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -69.47 -44.78 70.5 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.946 -178.037 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.571 HD22 ' CD2' ' B' ' 18' ' ' HIS . 0.1 OUTLIER -64.16 -43.63 94.57 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.781 -0.367 . . . . 0.0 111.232 179.109 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.673 HD21 HD12 ' B' ' 81' ' ' LEU . 2.5 tm? -62.22 -47.18 85.55 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.736 -177.578 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -65.56 -41.44 92.96 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 119.676 -0.81 . . . . 0.0 109.959 176.816 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 98.9 m -65.0 -53.71 41.81 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.612 -178.058 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.51 ' HB3' ' HB2' ' A' ' 4' ' ' LEU . 79.2 mm-40 -69.41 -38.64 78.03 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 111.847 0.314 . . . . 0.0 111.847 -177.582 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.519 HD22 HD21 ' B' ' 37' ' ' LEU . 10.9 mp -97.04 36.88 1.37 Allowed 'General case' 0 C--N 1.315 -0.895 0 C-N-CA 120.866 -0.334 . . . . 0.0 110.297 179.653 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 58.2 m -55.98 -44.41 78.51 Favored 'General case' 0 C--O 1.24 0.6 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.286 -176.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -66.68 -46.77 72.89 Favored Glycine 0 C--O 1.242 0.637 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 177.36 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.526 ' CE2' HG23 ' B' ' 82' ' ' THR . 5.6 m-30 -62.74 -43.51 98.62 Favored 'General case' 0 CA--C 1.51 -0.564 0 CA-C-O 121.046 0.45 . . . . 0.0 110.05 177.041 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.546 ' O ' HD12 ' B' ' 45' ' ' LEU . 2.9 tp -60.03 -47.21 86.77 Favored 'General case' 0 C--N 1.309 -1.165 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.354 179.389 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.514 ' O ' ' NZ ' ' B' ' 49' ' ' LYS . 32.1 t70 -65.62 -39.19 91.22 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.932 178.757 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 47' ' ' ALA . . . . . 0.585 ' CB ' ' SD ' ' B' ' 85' ' ' MET . . . -62.63 -38.68 91.21 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 -173.513 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.433 ' OE1' ' HB ' ' B' ' 54' ' ' VAL . 1.0 OUTLIER -124.29 43.87 2.89 Favored 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 120.896 -0.322 . . . . 0.0 111.714 -175.072 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.514 ' NZ ' ' O ' ' B' ' 46' ' ' ASP . 39.1 mtmm -62.79 -40.09 96.27 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 176.189 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -63.56 -30.02 71.2 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.42 -1.263 . . . . 0.0 113.262 -178.113 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 51' ' ' VAL . . . . . 0.581 ' C ' ' H ' ' B' ' 53' ' ' ALA . 12.2 t -62.27 -24.01 33.66 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 C-N-CA 120.399 -0.521 . . . . 0.0 110.742 -174.34 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.52 ' OD2' ' NZ ' ' B' ' 56' ' ' LYS . 0.3 OUTLIER 69.16 -17.65 0.21 Allowed 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 121.127 0.489 . . . . 0.0 110.036 -177.385 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.666 ' O ' HG23 ' B' ' 57' ' ' VAL . . . -61.34 -37.62 83.98 Favored 'General case' 0 C--O 1.21 -1.0 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 177.476 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.643 ' HA ' HD21 ' B' ' 81' ' ' LEU . 7.2 p -59.34 -44.42 92.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 178.078 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.444 ' O ' ' HG2' ' B' ' 58' ' ' MET . 30.6 t70 -60.59 -49.67 76.6 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.977 0.894 . . . . 0.0 109.575 176.117 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 56' ' ' LYS . . . . . 0.52 ' NZ ' ' OD2' ' B' ' 52' ' ' ASP . 33.5 mttp -65.98 -40.35 91.15 Favored 'General case' 0 C--N 1.303 -1.426 0 CA-C-N 114.839 -1.073 . . . . 0.0 112.241 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.88 HG12 HD12 ' B' ' 77' ' ' LEU . 75.4 t -63.6 -47.45 91.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 179.171 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 58' ' ' MET . . . . . 0.444 ' HG2' ' O ' ' B' ' 55' ' ' ASP . 26.4 ptt? -62.63 -39.47 93.91 Favored 'General case' 0 CA--C 1.513 -0.472 0 C-N-CA 120.064 -0.654 . . . . 0.0 109.353 175.514 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 59' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' B' ' 63' ' ' GLU . 63.9 tttp -58.77 -46.36 87.68 Favored 'General case' 0 N--CA 1.441 -0.91 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.261 171.647 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 60' ' ' GLU . . . . . 0.486 ' N ' ' O ' ' B' ' 56' ' ' LYS . 3.0 mm-40 -53.13 -41.33 64.96 Favored 'General case' 0 C--N 1.314 -0.966 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 -179.536 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.602 HD23 HD13 ' B' ' 77' ' ' LEU . 3.3 mm? -64.45 -38.06 89.69 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.586 172.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.685 ' HA ' ' NZ ' ' B' ' 30' ' ' LYS . 50.5 m-20 -67.31 -35.33 79.23 Favored 'General case' 0 C--O 1.242 0.706 0 O-C-N 121.596 -0.69 . . . . 0.0 111.287 174.439 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 63' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' B' ' 59' ' ' LYS . 67.2 mm-40 -62.41 -58.67 6.8 Favored 'General case' 0 N--CA 1.448 -0.545 0 O-C-N 123.568 0.542 . . . . 0.0 110.259 175.307 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 64' ' ' ASN . . . . . 0.446 ' C ' ' H ' ' B' ' 66' ' ' ASP . 6.0 t-20 -74.18 -47.81 33.23 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 121.343 0.592 . . . . 0.0 111.419 179.436 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 65' ' ' GLY . . . . . 0.579 ' N ' ' O ' ' B' ' 61' ' ' LEU . . . -73.99 43.78 1.24 Allowed Glycine 0 CA--C 1.494 -1.266 0 N-CA-C 110.038 -1.225 . . . . 0.0 110.038 -178.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.446 ' H ' ' C ' ' B' ' 64' ' ' ASN . 6.4 t70 -62.66 -36.03 81.56 Favored 'General case' 0 CA--C 1.509 -0.633 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 178.647 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -104.71 -72.77 0.88 Allowed Glycine 0 N--CA 1.449 -0.442 0 CA-C-N 114.52 -1.218 . . . . 0.0 110.891 179.396 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.45 ' OE1' ' NZ ' ' B' ' 27' ' ' LYS . 94.4 mt-10 -143.08 156.09 44.74 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 123.216 0.607 . . . . 0.0 111.218 -178.06 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.92 HG23 ' CB ' ' B' ' 73' ' ' GLU . 0.8 OUTLIER -123.62 129.04 74.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.447 176.109 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -92.7 -170.03 2.35 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-O 121.229 0.537 . . . . 0.0 110.141 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.644 ' O ' HG22 ' B' ' 75' ' ' VAL . 68.9 t80 -61.29 -45.22 95.39 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.219 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.7 ' HG3' HG11 ' A' ' 83' ' ' VAL . 33.9 mt-30 -61.34 -40.73 95.32 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.573 179.163 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.92 ' CB ' HG23 ' B' ' 69' ' ' VAL . 62.4 mm-40 -70.6 -39.96 73.5 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 121.166 0.508 . . . . 0.0 110.447 173.731 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 74' ' ' TYR . . . . . 0.522 ' OH ' HD11 ' A' ' 4' ' ' LEU . 26.6 t80 -61.52 -48.06 82.75 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.895 -0.593 . . . . 0.0 112.592 179.356 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.736 HG21 ' CB ' ' A' ' 79' ' ' ALA . 16.1 m -63.96 -41.21 91.77 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 N-CA-C 112.989 0.737 . . . . 0.0 112.989 -177.141 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.446 HG12 ' O ' ' B' ' 73' ' ' GLU . 12.9 p -62.86 -34.75 67.73 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.425 0 C-N-CA 120.078 -0.649 . . . . 0.0 110.966 -179.025 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.88 HD12 HG12 ' B' ' 57' ' ' VAL . 55.1 tp -61.73 -48.61 79.94 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.088 178.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.654 HG12 HD23 ' B' ' 37' ' ' LEU . 28.4 m -70.59 -39.72 76.35 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 C-N-CA 120.299 -0.561 . . . . 0.0 110.661 177.266 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.946 ' CB ' HG21 ' A' ' 75' ' ' VAL . . . -62.3 -45.83 91.49 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.408 179.409 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.88 -44.25 91.07 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.673 HD12 HD21 ' B' ' 37' ' ' LEU . 94.8 mt -64.5 -41.95 96.12 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.351 175.267 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.674 HG21 ' HB3' ' A' ' 8' ' ' MET . 21.6 m -62.28 -50.31 72.2 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.886 -179.156 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.497 HG12 ' O ' ' B' ' 79' ' ' ALA . 7.4 p -62.35 -45.24 99.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 C-N-CA 119.663 -0.815 . . . . 0.0 110.296 179.219 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -58.08 -52.46 65.43 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.52 177.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 85' ' ' MET . . . . . 0.585 ' SD ' ' CB ' ' B' ' 47' ' ' ALA . 0.0 OUTLIER -68.46 -47.57 66.8 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.149 -0.621 . . . . 0.0 112.259 179.445 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 86' ' ' ASN . . . . . 0.452 ' ND2' ' HG2' ' A' ' 9' ' ' GLU . 1.6 t-20 -64.72 -34.39 78.21 Favored 'General case' 0 C--N 1.317 -0.836 0 C-N-CA 119.644 -0.822 . . . . 0.0 110.226 -175.866 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 60.4 t-20 -56.36 -38.06 70.9 Favored 'General case' 0 C--O 1.239 0.518 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 176.284 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.443 ' HB3' ' O ' ' B' ' 85' ' ' MET . 90.2 t80 -58.54 -44.71 89.69 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.891 176.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 40.7 m-85 . . . . . 0 C--N 1.318 -0.802 0 C-N-CA 119.647 -0.821 . . . . 0.0 111.177 177.316 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.244 0.802 0 CA-C-O 120.743 0.306 . . . . 0.0 111.128 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 7' ' ' ALA . 42.5 mp0 -57.89 -40.9 81.38 Favored 'General case' 0 CA--C 1.508 -0.67 0 C-N-CA 120.639 -0.424 . . . . 0.0 110.364 177.282 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.938 ' CD1' HD23 ' B' ' 11' ' ' LEU . 0.6 OUTLIER -61.2 -42.18 98.14 Favored 'General case' 0 C--N 1.312 -1.044 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 -179.745 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.481 ' CG ' ' HA ' ' B' ' 41' ' ' LEU . 46.6 mt-10 -64.21 -42.33 96.66 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 175.526 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.3 m -61.58 -44.89 96.18 Favored 'General case' 0 C--O 1.244 0.803 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.576 177.196 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 3' ' ' GLU . . . -58.32 -47.43 83.74 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.718 178.408 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.525 ' HE1' ' HB2' ' B' ' 79' ' ' ALA . 93.7 mmm -65.07 -41.32 95.19 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.392 179.252 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -61.88 -35.72 79.15 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.941 176.785 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 16.5 m -59.97 -43.68 94.92 Favored 'General case' 0 C--N 1.314 -0.956 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 177.122 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.725 HD11 ' SD ' ' B' ' 8' ' ' MET . 89.1 mt -63.21 -39.55 94.95 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.536 175.849 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.453 HD13 ' CE1' ' A' ' 71' ' ' PHE . 22.1 mm -61.97 -43.38 97.48 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 -179.244 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 70.9 m-20 -60.28 -42.07 94.67 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 -179.186 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.537 HG11 HD11 ' A' ' 36' ' ' LEU . 85.7 t -63.09 -45.49 98.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.678 176.874 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -58.83 -46.04 88.59 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.646 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 -56.99 -46.36 82.3 Favored 'General case' 0 CA--C 1.511 -0.555 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.354 177.565 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.522 ' O ' ' HG2' ' A' ' 21' ' ' LYS . . . -57.29 -51.91 67.47 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.137 -175.048 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.558 ' CD2' HD13 ' A' ' 36' ' ' LEU . 92.0 m-70 -68.42 -37.16 80.05 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.854 -179.471 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 40.2 m -53.75 -41.84 67.54 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 178.007 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.99 -39.77 96.68 Favored Glycine 0 N--CA 1.445 -0.747 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.945 176.231 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.522 ' HG2' ' O ' ' A' ' 17' ' ' ALA . 33.3 mmtm -64.3 -45.24 88.82 Favored 'General case' 0 CA--C 1.507 -0.674 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.416 -175.831 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.06 -41.21 67.68 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 120.145 -0.622 . . . . 0.0 111.623 -179.104 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 136.22 -8.63 4.1 Favored Glycine 0 CA--C 1.523 0.592 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.961 175.463 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -80.61 149.84 29.72 Favored 'General case' 0 CA--C 1.508 -0.659 0 CA-C-N 117.501 0.651 . . . . 0.0 111.06 -178.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.512 ' HD2' ' CE2' ' A' ' 26' ' ' TYR . 47.3 pttt -64.66 -39.55 93.88 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 172.284 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.512 ' CE2' ' HD2' ' A' ' 25' ' ' LYS . 5.3 p90 -162.64 92.25 0.78 Allowed 'General case' 0 C--O 1.238 0.471 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.21 170.193 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.436 ' HD2' ' HA ' ' A' ' 27' ' ' LYS . 10.2 mmmm -163.66 162.95 24.43 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 106.076 -1.824 . . . . 0.0 106.076 170.724 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.472 ' HB3' ' O ' ' A' ' 69' ' ' VAL . 44.4 tp -124.04 129.15 50.42 Favored 'General case' 0 C--N 1.308 -1.222 0 C-N-CA 119.988 -0.685 . . . . 0.0 110.183 178.086 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.7 p -81.47 163.72 22.54 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.97 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.475 ' NZ ' ' HA ' ' A' ' 62' ' ' ASP . 7.4 mmmm -75.85 -4.2 39.43 Favored 'General case' 0 C--N 1.314 -0.953 0 C-N-CA 120.117 -0.633 . . . . 0.0 109.883 176.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 39.3 mttm -74.62 -63.23 1.29 Allowed 'General case' 0 CA--C 1.52 -0.207 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 177.089 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 36' ' ' LEU . 75.4 mm-40 -67.11 -37.57 84.13 Favored 'General case' 0 N--CA 1.442 -0.834 0 CA-C-N 114.033 -1.44 . . . . 0.0 111.751 -177.12 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.744 HD11 ' CD2' ' A' ' 77' ' ' LEU . 2.7 tm? -58.68 -43.34 89.93 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.499 -0.48 . . . . 0.0 110.154 -175.388 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.506 ' NZ ' ' OD2' ' A' ' 62' ' ' ASP . 62.7 mttp -62.7 -46.85 86.21 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 119.874 -0.73 . . . . 0.0 109.691 179.064 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 66.4 tt0 -65.43 -44.38 87.52 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.624 178.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.692 HD21 ' CE1' ' A' ' 74' ' ' TYR . 17.2 tp -60.83 -48.79 80.22 Favored 'General case' 0 C--N 1.298 -1.655 0 CA-C-N 114.808 -1.087 . . . . 0.0 111.903 178.069 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.658 HD23 HG12 ' A' ' 78' ' ' VAL . 2.7 tm? -63.58 -45.65 89.42 Favored 'General case' 0 C--N 1.306 -1.283 0 C-N-CA 120.452 -0.499 . . . . 0.0 110.692 -177.122 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -68.53 -41.42 79.9 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.159 -0.616 . . . . 0.0 110.889 176.333 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 73.9 m -61.9 -51.12 69.47 Favored 'General case' 0 N--CA 1.442 -0.841 0 CA-C-N 115.902 -0.59 . . . . 0.0 112.024 -178.289 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -83.92 -35.77 23.81 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 113.116 0.784 . . . . 0.0 113.116 -174.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.41 ' HB2' HD22 ' A' ' 37' ' ' LEU . 10.4 mp -105.65 37.7 2.17 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-O 120.579 0.228 . . . . 0.0 111.279 -178.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.4 m -56.1 -39.22 71.82 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 -178.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -62.05 -50.21 67.69 Favored Glycine 0 CA--C 1.52 0.389 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.747 178.042 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.472 ' CZ ' HG23 ' A' ' 82' ' ' THR . 33.1 m-85 -67.88 -42.24 81.52 Favored 'General case' 0 CA--C 1.499 -0.981 0 CA-C-O 121.457 0.646 . . . . 0.0 109.961 177.472 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 49.1 tp -63.06 -48.34 79.08 Favored 'General case' 0 N--CA 1.432 -1.332 0 CA-C-N 115.127 -0.942 . . . . 0.0 111.593 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -70.86 -41.31 71.57 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -178.264 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.948 ' HB3' ' SD ' ' A' ' 85' ' ' MET . . . -56.08 -44.56 79.1 Favored 'General case' 0 CA--C 1.509 -0.607 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.364 -175.624 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.463 ' CB ' HG21 ' A' ' 51' ' ' VAL . 1.7 pp0? -120.09 52.22 1.15 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.236 0.541 . . . . 0.0 110.295 176.206 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.2 ttmm -59.65 -41.63 90.98 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.202 -175.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.415 ' C ' ' H ' ' A' ' 52' ' ' ASP . 39.0 t70 -111.57 17.21 20.21 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 -173.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.583 HG12 ' O ' ' A' ' 51' ' ' VAL . 35.3 t -74.42 21.37 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 N-CA-C 111.79 0.293 . . . . 0.0 111.79 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.529 ' OD1' ' NZ ' ' A' ' 56' ' ' LYS . 40.9 t0 59.39 -47.67 0.07 Allowed 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 112.788 0.662 . . . . 0.0 112.788 174.801 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.542 ' N ' ' O ' ' A' ' 51' ' ' VAL . . . -58.48 -36.54 73.9 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.808 0.337 . . . . 0.0 110.428 -178.559 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.433 HG13 ' N ' ' A' ' 55' ' ' ASP . 7.3 p -58.8 -47.72 88.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.361 179.525 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.593 ' O ' ' N ' ' A' ' 59' ' ' LYS . 25.4 t70 -59.44 -48.83 80.14 Favored 'General case' 0 CA--C 1.495 -1.151 0 CA-C-O 121.132 0.491 . . . . 0.0 109.684 176.284 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.529 ' NZ ' ' OD1' ' A' ' 52' ' ' ASP . 37.0 mttp -62.68 -41.77 99.28 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.822 -176.878 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.554 HG12 HD12 ' A' ' 77' ' ' LEU . 98.5 t -62.1 -45.68 98.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 174.253 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 14.4 mmm -61.92 -40.06 94.17 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-O 121.564 0.697 . . . . 0.0 109.251 175.735 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.593 ' N ' ' O ' ' A' ' 55' ' ' ASP . 0.1 OUTLIER -61.07 -46.91 88.76 Favored 'General case' 0 N--CA 1.431 -1.408 0 CA-C-N 114.706 -1.134 . . . . 0.0 109.306 -176.498 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -62.04 -40.01 94.27 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.166 179.514 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.725 ' HG ' HD13 ' A' ' 77' ' ' LEU . 3.3 mm? -61.7 -39.82 92.83 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.293 -0.563 . . . . 0.0 110.176 176.357 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.506 ' OD2' ' NZ ' ' A' ' 34' ' ' LYS 0.416 5.0 m-20 -85.23 -11.05 55.78 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 115.446 1.647 . . . . 0.0 115.446 176.604 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.49 ' HG3' ' O ' ' A' ' 59' ' ' LYS . 97.7 mt-10 -64.36 -36.64 84.81 Favored 'General case' 0 CA--C 1.501 -0.934 0 N-CA-C 105.459 -2.052 . . . . 0.0 105.459 163.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -79.52 37.52 0.34 Allowed 'General case' 0 N--CA 1.441 -0.914 0 CA-C-N 113.541 -1.663 . . . . 0.0 108.769 167.787 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.466 ' H ' ' C ' ' A' ' 63' ' ' GLU . . . -91.95 18.37 53.72 Favored Glycine 0 CA--C 1.506 -0.527 0 N-CA-C 108.362 -1.895 . . . . 0.0 108.362 178.281 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -60.22 -43.24 96.17 Favored 'General case' 0 N--CA 1.436 -1.16 0 CA-C-N 114.255 -0.973 . . . . 0.0 110.835 -177.57 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -156.1 -82.73 0.04 OUTLIER Glycine 0 C--N 1.319 -0.363 0 N-CA-C 111.508 -0.637 . . . . 0.0 111.508 179.523 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -121.09 164.84 16.19 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.567 0.222 . . . . 0.0 111.031 -177.122 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.692 HG23 ' CB ' ' A' ' 73' ' ' GLU . 1.6 p -120.67 129.08 76.01 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 N-CA-C 107.685 -1.228 . . . . 0.0 107.685 170.174 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.594 ' CG ' ' N ' ' A' ' 71' ' ' PHE . 1.0 OUTLIER -95.11 -179.54 4.85 Favored 'General case' 0 C--N 1.313 -1.019 0 C-N-CA 120.659 -0.417 . . . . 0.0 110.568 -175.913 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.594 ' N ' ' CG ' ' A' ' 70' ' ' ASP . 66.0 t80 -58.39 -42.83 87.97 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 -176.659 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -59.27 -44.05 92.45 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.488 -179.249 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.692 ' CB ' HG23 ' A' ' 69' ' ' VAL . 56.5 mp0 -69.62 -39.15 77.36 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.287 0.565 . . . . 0.0 109.993 176.325 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.692 ' CE1' HD21 ' A' ' 36' ' ' LEU . 22.5 t80 -60.73 -49.75 76.23 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.832 177.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.92 HG21 ' CB ' ' B' ' 79' ' ' ALA . 24.9 m -63.94 -43.32 97.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 C-N-CA 120.13 -0.628 . . . . 0.0 112.058 -179.058 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 14.7 p -64.87 -38.3 82.39 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 C-N-CA 120.348 -0.541 . . . . 0.0 110.689 -179.141 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.744 ' CD2' HD11 ' A' ' 33' ' ' LEU . 49.4 tp -60.86 -49.7 76.42 Favored 'General case' 0 CA--C 1.508 -0.662 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.809 179.376 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.658 HG12 HD23 ' A' ' 37' ' ' LEU . 22.0 m -66.52 -42.1 89.56 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.04 0 C-N-CA 119.604 -0.839 . . . . 0.0 110.121 177.633 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.927 ' CB ' HG21 ' B' ' 75' ' ' VAL . . . -62.77 -42.82 99.86 Favored 'General case' 0 CA--C 1.51 -0.585 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.149 179.045 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.02 -48.77 77.69 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-O 121.369 0.604 . . . . 0.0 109.841 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 87.8 mt -62.69 -40.87 98.47 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.498 -0.773 . . . . 0.0 109.159 176.42 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.481 ' O ' ' HB2' ' A' ' 86' ' ' ASN . 17.3 m -62.24 -51.53 67.4 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.284 179.305 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.672 HG11 ' HG3' ' B' ' 72' ' ' GLN . 5.1 p -63.17 -43.41 98.82 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.373 0 C-N-CA 119.896 -0.722 . . . . 0.0 111.226 178.654 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.0 -52.5 65.0 Favored 'General case' 0 N--CA 1.446 -0.65 0 C-N-CA 120.15 -0.62 . . . . 0.0 110.585 178.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.948 ' SD ' ' HB3' ' A' ' 47' ' ' ALA . 15.8 ttp -75.61 -42.37 51.98 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 119.816 -0.754 . . . . 0.0 111.459 -179.041 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.6 ' OD1' ' NE1' ' A' ' 90' ' ' TRP . 2.1 t-20 -63.46 -34.0 76.8 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 -178.559 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.692 ' HA ' ' CD2' ' A' ' 90' ' ' TRP . 16.4 t-20 -57.45 -38.08 73.89 Favored 'General case' 0 CA--C 1.513 -0.45 0 C-N-CA 120.424 -0.51 . . . . 0.0 109.645 175.123 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.46 ' HB3' ' O ' ' A' ' 85' ' ' MET . 90.1 t80 -59.02 -42.95 91.41 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 172.302 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.518 ' HB2' ' O ' ' A' ' 86' ' ' ASN . 20.0 m-30 -58.81 -42.92 90.28 Favored 'General case' 0 C--O 1.232 0.181 0 C-N-CA 120.282 -0.567 . . . . 0.0 109.495 174.398 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.707 ' HZ2' HD12 ' B' ' 12' ' ' ILE . 20.2 m0 . . . . . 0 CA--C 1.501 -0.933 0 CA-C-O 121.486 0.66 . . . . 0.0 109.512 179.605 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 18.1 m . . . . . 0 C--O 1.239 0.52 0 CA-C-O 120.794 0.331 . . . . 0.0 111.404 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 3' ' ' GLU . . . . . 0.4 ' H ' ' CD ' ' B' ' 3' ' ' GLU . 45.5 mp0 -55.86 -23.03 28.43 Favored 'General case' 0 CA--C 1.513 -0.465 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 175.55 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.69 HD12 HD23 ' A' ' 11' ' ' LEU . 2.9 mm? -61.32 -39.86 92.08 Favored 'General case' 0 N--CA 1.438 -1.033 0 CA-C-N 115.327 -0.851 . . . . 0.0 108.806 -178.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -61.68 -41.06 97.05 Favored 'General case' 0 N--CA 1.446 -0.673 0 C-N-CA 119.869 -0.732 . . . . 0.0 109.308 175.361 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 8.4 m -62.8 -45.8 90.93 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.135 0.493 . . . . 0.0 109.826 174.796 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.95 -47.47 82.82 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.53 -0.545 . . . . 0.0 109.53 177.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 8' ' ' MET . . . . . 0.725 ' SD ' HD11 ' A' ' 11' ' ' LEU . 97.7 mmm -63.93 -41.87 97.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.326 177.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 72.6 mt-10 -66.73 -34.54 78.07 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 120.64 -0.424 . . . . 0.0 111.502 177.364 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.433 ' O ' HG23 ' B' ' 14' ' ' VAL . 9.0 m -58.29 -43.19 87.92 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 175.148 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.938 HD23 ' CD1' ' A' ' 4' ' ' LEU . 67.7 mt -61.85 -42.06 98.59 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.687 175.247 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.707 HD12 ' HZ2' ' A' ' 90' ' ' TRP . 21.1 mm -63.08 -44.16 99.38 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 CA-C-O 121.133 0.492 . . . . 0.0 109.789 -178.537 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 51.3 m-80 -62.41 -41.61 98.81 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.698 -175.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.649 HG21 HD21 ' A' ' 4' ' ' LEU . 97.7 t -62.94 -44.22 99.49 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 176.703 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -57.38 -46.87 82.94 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 178.46 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -59.96 -45.3 93.12 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.231 175.441 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.51 ' O ' ' HG2' ' B' ' 21' ' ' LYS . . . -53.46 -34.42 57.86 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.009 -178.619 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 86.8 m-70 -88.41 -36.49 16.5 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 178.744 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 73.4 m -57.68 -42.54 83.85 Favored 'General case' 0 C--O 1.239 0.548 0 C-N-CA 120.267 -0.573 . . . . 0.0 110.131 179.487 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.48 -40.28 92.02 Favored Glycine 0 N--CA 1.446 -0.634 0 N-CA-C 109.454 -1.458 . . . . 0.0 109.454 177.537 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 21' ' ' LYS . . . . . 0.51 ' HG2' ' O ' ' B' ' 17' ' ' ALA . 11.4 mmtp -71.62 -48.32 48.71 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.101 0.477 . . . . 0.0 109.839 178.864 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.403 ' HB2' ' OG ' ' B' ' 29' ' ' SER . 0.2 OUTLIER -66.21 -46.14 78.29 Favored 'General case' 0 C--O 1.238 0.481 0 N-CA-C 114.108 1.151 . . . . 0.0 114.108 -171.357 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 162.86 -69.53 0.22 Allowed Glycine 0 C--O 1.238 0.381 0 C-N-CA 119.292 -1.432 . . . . 0.0 112.883 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 24' ' ' ASP . . . . . 0.433 ' HB3' ' HB2' ' B' ' 27' ' ' LYS . 38.8 t70 -71.14 161.18 31.55 Favored 'General case' 0 CA--C 1.509 -0.625 0 CA-C-O 121.366 0.603 . . . . 0.0 112.14 -175.775 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.475 ' H ' ' HG2' ' B' ' 25' ' ' LYS . 7.0 pttm -55.52 -40.15 71.43 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 114.718 -1.128 . . . . 0.0 108.962 175.491 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.483 ' CG ' ' CE3' ' A' ' 90' ' ' TRP . 1.7 p90 -148.95 93.63 2.13 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.244 172.41 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.433 ' HB2' ' HB3' ' B' ' 24' ' ' ASP . 7.2 mmmm -159.51 158.83 32.6 Favored 'General case' 0 CA--C 1.49 -1.329 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 171.291 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.423 HD11 ' HB2' ' B' ' 32' ' ' GLU . 52.1 tp -125.45 126.44 44.93 Favored 'General case' 0 C--N 1.3 -1.577 0 C-N-CA 120.169 -0.612 . . . . 0.0 109.415 173.331 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.403 ' OG ' ' HB2' ' B' ' 22' ' ' GLU . 6.0 p -88.64 161.36 16.92 Favored 'General case' 0 N--CA 1.433 -1.276 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 171.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.749 ' NZ ' ' HA ' ' B' ' 62' ' ' ASP . 11.3 mmmm -69.34 -4.54 18.63 Favored 'General case' 0 C--N 1.3 -1.569 0 C-N-CA 120.284 -0.567 . . . . 0.0 110.352 -178.282 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 54.2 mttm -61.55 -47.14 86.91 Favored 'General case' 0 CA--C 1.508 -0.636 0 CA-C-N 114.916 -1.038 . . . . 0.0 109.164 -177.799 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.472 ' O ' ' N ' ' B' ' 36' ' ' LEU . 4.5 mt-10 -101.54 -22.14 14.57 Favored 'General case' 0 C--O 1.213 -0.857 0 CA-C-N 114.853 -1.067 . . . . 0.0 110.969 -175.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.711 HD11 ' CD2' ' B' ' 77' ' ' LEU . 2.8 tm? -57.39 -42.53 82.4 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 -177.738 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -62.49 -45.33 93.52 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 119.699 -0.8 . . . . 0.0 110.104 178.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.402 ' O ' ' OG1' ' B' ' 39' ' ' THR . 99.7 mt-10 -68.25 -43.98 76.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.811 0.815 . . . . 0.0 109.849 177.769 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.519 HD21 ' CE1' ' B' ' 74' ' ' TYR . 22.3 tp -61.08 -48.15 83.02 Favored 'General case' 0 C--N 1.304 -1.398 0 CA-C-N 114.643 -1.162 . . . . 0.0 111.966 179.151 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.768 HD11 HD11 ' B' ' 81' ' ' LEU . 0.1 OUTLIER -62.37 -47.67 83.16 Favored 'General case' 0 C--N 1.316 -0.859 0 C-N-CA 120.163 -0.615 . . . . 0.0 110.343 -176.735 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.736 ' HB2' HD22 ' B' ' 45' ' ' LEU . 15.7 pt20 -64.88 -43.45 92.9 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.298 -0.561 . . . . 0.0 110.996 176.579 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 70.8 m -62.73 -53.16 58.62 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.617 -177.028 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.426 ' HG3' HG11 ' B' ' 14' ' ' VAL . 68.3 mm-40 -73.82 -39.25 64.21 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 -176.737 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.481 ' HA ' ' CG ' ' A' ' 5' ' ' GLU . 10.8 mp -92.6 44.89 1.17 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.83 0.348 . . . . 0.0 110.49 176.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 51.6 m -53.61 -44.22 69.27 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.819 -175.389 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -66.76 -50.36 48.57 Favored Glycine 0 C--O 1.242 0.644 0 C-N-CA 120.649 -0.786 . . . . 0.0 111.298 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.639 ' HD1' ' SD ' ' B' ' 85' ' ' MET . 79.8 m-85 -66.42 -41.36 89.35 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-O 121.275 0.56 . . . . 0.0 110.118 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.736 HD22 ' HB2' ' B' ' 38' ' ' GLN . 2.0 tp -48.0 -51.36 24.23 Favored 'General case' 0 CA--C 1.504 -0.794 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.852 -179.515 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -62.69 -42.37 99.6 Favored 'General case' 0 C--N 1.3 -1.553 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.923 -177.422 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 47' ' ' ALA . . . . . 0.599 ' HB3' ' SD ' ' B' ' 85' ' ' MET . . . -70.9 -41.15 71.67 Favored 'General case' 0 C--N 1.313 -0.993 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -175.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.678 ' NE2' ' HB3' ' B' ' 81' ' ' LEU . 11.5 mt-30 -71.15 -16.51 62.54 Favored 'General case' 0 C--N 1.313 -0.987 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -171.474 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -58.19 -40.68 82.15 Favored 'General case' 0 CA--C 1.5 -0.972 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 -176.465 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -66.4 -30.84 71.3 Favored 'General case' 0 C--N 1.309 -1.195 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.598 178.093 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 54.6 t -69.2 -41.56 81.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.773 -178.4 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.462 ' OD2' ' NZ ' ' B' ' 56' ' ' LYS . 0.7 OUTLIER 73.63 -7.18 1.62 Allowed 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 115.002 -0.999 . . . . 0.0 111.539 -176.914 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.666 ' O ' HG23 ' B' ' 57' ' ' VAL . . . -69.19 -37.69 78.25 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 174.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.537 ' HA ' HD21 ' B' ' 81' ' ' LEU . 7.6 p -57.08 -42.77 80.06 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.443 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.781 179.019 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.415 ' HB3' ' O ' ' B' ' 52' ' ' ASP . 1.5 t70 -53.15 -53.1 55.49 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.788 175.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 56' ' ' LYS . . . . . 0.462 ' NZ ' ' OD2' ' B' ' 52' ' ' ASP . 21.0 mttp -65.83 -40.86 92.18 Favored 'General case' 0 C--N 1.298 -1.638 0 CA-C-N 114.636 -1.165 . . . . 0.0 111.353 -178.844 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.666 HG23 ' O ' ' B' ' 53' ' ' ALA . 60.0 t -62.13 -45.83 97.85 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 177.124 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 58' ' ' MET . . . . . 0.419 ' SD ' HD13 ' B' ' 37' ' ' LEU . 2.1 mtm -61.75 -42.26 98.74 Favored 'General case' 0 CA--C 1.5 -0.948 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 177.422 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 59' ' ' LYS . . . . . 0.629 ' HB2' ' HZ2' ' B' ' 59' ' ' LYS . 0.1 OUTLIER -62.39 -42.51 99.48 Favored 'General case' 0 C--N 1.305 -1.361 0 CA-C-N 114.717 -1.129 . . . . 0.0 109.831 -177.855 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 60' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' B' ' 64' ' ' ASN . 42.1 tt0 -59.39 -42.51 91.89 Favored 'General case' 0 CA--C 1.517 -0.315 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 177.032 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.672 ' HG ' HD13 ' B' ' 77' ' ' LEU . 1.9 mm? -62.4 -39.03 91.92 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.132 -0.486 . . . . 0.0 109.889 173.144 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.749 ' HA ' ' NZ ' ' B' ' 30' ' ' LYS . 59.2 m-20 -66.5 -39.35 88.66 Favored 'General case' 0 C--N 1.316 -0.867 0 C-N-CA 120.26 -0.576 . . . . 0.0 111.03 176.552 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -65.8 -41.74 91.56 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 172.725 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 64' ' ' ASN . . . . . 0.49 ' C ' ' H ' ' B' ' 66' ' ' ASP . 2.0 m-80 -75.83 -1.55 25.76 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 114.973 -1.012 . . . . 0.0 109.833 175.53 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 65' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' B' ' 61' ' ' LEU . . . -74.75 44.19 1.47 Allowed Glycine 0 N--CA 1.449 -0.47 0 N-CA-C 108.753 -1.739 . . . . 0.0 108.753 175.141 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.49 ' H ' ' C ' ' B' ' 64' ' ' ASN . 16.9 t70 -64.11 -39.14 93.39 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 115.055 -0.573 . . . . 0.0 110.15 -176.139 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -138.11 -77.82 0.07 OUTLIER Glycine 0 C--N 1.318 -0.437 0 N-CA-C 109.942 -1.263 . . . . 0.0 109.942 178.501 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.406 ' OE2' ' NZ ' ' B' ' 27' ' ' LYS . 1.6 mp0 -133.67 166.6 22.23 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 178.823 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.754 HG23 ' CB ' ' B' ' 73' ' ' GLU . 1.8 p -110.4 125.16 67.65 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.665 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 172.111 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.32 -173.83 2.89 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-O 121.074 0.464 . . . . 0.0 110.455 -178.163 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.63 ' O ' HG22 ' B' ' 75' ' ' VAL . 64.3 t80 -60.27 -44.7 95.1 Favored 'General case' 0 C--N 1.309 -1.195 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.565 179.322 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.672 ' HG3' HG11 ' A' ' 83' ' ' VAL . 25.4 mt-30 -59.22 -42.12 90.27 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.89 177.617 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.754 ' CB ' HG23 ' B' ' 69' ' ' VAL . 46.1 mt-10 -69.73 -41.21 75.58 Favored 'General case' 0 C--O 1.24 0.57 0 C-N-CA 119.861 -0.735 . . . . 0.0 110.762 175.523 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 74' ' ' TYR . . . . . 0.519 ' CE1' HD21 ' B' ' 36' ' ' LEU . 29.6 t80 -61.18 -48.67 80.5 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.318 178.667 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.927 HG21 ' CB ' ' A' ' 79' ' ' ALA . 27.6 m -64.86 -43.0 96.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 C-N-CA 120.261 -0.576 . . . . 0.0 112.5 -179.56 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 13.1 p -64.65 -39.66 86.39 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 C-N-CA 120.292 -0.563 . . . . 0.0 110.305 -178.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.755 HD21 HD12 ' B' ' 37' ' ' LEU . 52.6 tp -61.03 -48.0 83.8 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.569 -179.479 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 22.3 m -67.48 -42.26 86.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 C-N-CA 119.755 -0.778 . . . . 0.0 110.462 175.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.92 ' CB ' HG21 ' A' ' 75' ' ' VAL . . . -64.17 -41.25 97.21 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.728 -179.039 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 80' ' ' ALA . . . . . 0.533 ' O ' HG12 ' B' ' 83' ' ' VAL . . . -60.4 -44.63 95.5 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 177.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.768 HD11 HD11 ' B' ' 37' ' ' LEU . 97.4 mt -63.46 -41.75 98.62 Favored 'General case' 0 C--N 1.305 -1.326 0 CA-C-N 114.864 -1.062 . . . . 0.0 109.981 175.34 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.437 ' O ' ' HB2' ' B' ' 86' ' ' ASN . 17.7 m -61.66 -48.92 78.64 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.86 177.037 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.533 HG12 ' O ' ' B' ' 80' ' ' ALA . 0.4 OUTLIER -63.9 -42.11 94.72 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.354 179.683 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -51.29 -60.83 2.69 Favored 'General case' 0 C--O 1.239 0.502 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.433 -179.066 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 85' ' ' MET . . . . . 0.639 ' SD ' ' HD1' ' B' ' 44' ' ' PHE . 87.2 mtp -66.27 -41.6 89.63 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.583 -0.447 . . . . 0.0 112.03 176.702 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 86' ' ' ASN . . . . . 0.437 ' HB2' ' O ' ' B' ' 82' ' ' THR . 28.3 m-80 -62.24 -40.27 95.62 Favored 'General case' 0 CA--C 1.497 -1.065 0 C-N-CA 119.86 -0.736 . . . . 0.0 111.671 -179.395 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -58.64 -40.68 84.08 Favored 'General case' 0 N--CA 1.443 -0.789 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 175.654 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -61.07 -45.23 95.58 Favored 'General case' 0 C--O 1.212 -0.887 0 C-N-CA 120.08 -0.648 . . . . 0.0 110.38 170.157 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 19.6 m-30 . . . . . 0 C--N 1.326 -0.443 0 C-N-CA 120.073 -0.651 . . . . 0.0 109.711 178.969 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m . . . . . 0 C--O 1.237 0.408 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -59.35 -38.28 80.0 Favored 'General case' 0 CA--C 1.507 -0.684 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 175.756 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.923 HD21 HG21 ' B' ' 14' ' ' VAL . 4.3 mm? -61.54 -44.47 96.98 Favored 'General case' 0 C--N 1.314 -0.95 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 178.027 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.435 ' HG2' ' CD1' ' B' ' 44' ' ' PHE . 99.4 mt-10 -64.39 -42.4 96.14 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.067 -0.969 . . . . 0.0 109.674 175.558 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.1 m -61.22 -45.73 93.36 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.555 178.148 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.496 ' HB1' ' HB1' ' B' ' 7' ' ' ALA . . . -61.29 -41.84 97.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.099 177.438 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.504 ' HG2' ' O ' ' A' ' 4' ' ' LEU . 93.1 mmm -64.47 -40.8 96.36 Favored 'General case' 0 C--O 1.238 0.493 0 C-N-CA 120.603 -0.439 . . . . 0.0 110.964 177.883 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -64.21 -38.11 89.87 Favored 'General case' 0 CA--C 1.515 -0.371 0 C-N-CA 120.053 -0.659 . . . . 0.0 109.891 176.486 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 18.0 m -57.11 -46.04 82.93 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.503 HD11 ' SD ' ' B' ' 8' ' ' MET . 94.7 mt -63.85 -41.18 97.85 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.256 175.6 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.439 HD13 ' CE1' ' A' ' 71' ' ' PHE . 24.1 mm -62.89 -43.25 98.79 Favored 'Isoleucine or valine' 0 C--O 1.237 0.42 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.199 178.656 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 22.5 m120 -59.46 -44.53 92.97 Favored 'General case' 0 CA--C 1.509 -0.611 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 -178.06 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.58 HG21 HD21 ' B' ' 4' ' ' LEU . 74.3 t -67.29 -43.81 87.82 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.312 175.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.477 ' CE1' ' HB2' ' A' ' 28' ' ' LEU . 69.5 t80 -57.85 -46.63 84.5 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.615 ' NE2' ' OD1' ' B' ' 86' ' ' ASN . 11.9 m-70 -60.49 -48.0 83.68 Favored 'General case' 0 CA--C 1.503 -0.862 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.975 179.522 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.539 ' O ' ' HG2' ' A' ' 21' ' ' LYS . . . -55.28 -50.19 70.16 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.933 -175.807 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.429 ' HB3' ' HB3' ' A' ' 32' ' ' GLU . 94.9 m-70 -67.49 -40.29 85.22 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 177.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 28.0 m -56.96 -41.42 78.27 Favored 'General case' 0 C--O 1.24 0.581 0 CA-C-O 121.706 0.765 . . . . 0.0 109.05 175.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.99 -40.09 95.04 Favored Glycine 0 N--CA 1.444 -0.79 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.211 -179.69 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.539 ' HG2' ' O ' ' A' ' 17' ' ' ALA . 43.2 mmtm -66.65 -48.37 69.6 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.757 -0.377 . . . . 0.0 111.32 -174.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.552 ' HG2' ' HD2' ' A' ' 31' ' ' LYS . 70.9 mt-10 -70.14 -44.92 67.88 Favored 'General case' 0 C--O 1.24 0.573 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.17 -171.179 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 152.71 -25.46 0.84 Allowed Glycine 0 CA--C 1.533 1.193 0 C-N-CA 119.7 -1.238 . . . . 0.0 114.525 176.441 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.501 ' CB ' ' HB2' ' A' ' 27' ' ' LYS . 6.3 t70 -77.38 160.74 28.54 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 117.924 0.862 . . . . 0.0 112.366 -175.535 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.528 ' HB3' ' CD2' ' A' ' 26' ' ' TYR 0.254 74.2 mmtt -62.81 -49.41 75.06 Favored 'General case' 0 CA--C 1.486 -1.518 0 N-CA-C 107.292 -1.373 . . . . 0.0 107.292 171.345 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.528 ' CD2' ' HB3' ' A' ' 25' ' ' LYS . 1.1 p90 -158.33 92.52 1.16 Allowed 'General case' 0 N--CA 1.416 -2.126 0 CA-C-N 113.602 -1.636 . . . . 0.0 109.988 178.528 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.501 ' HB2' ' CB ' ' A' ' 24' ' ' ASP . 21.5 mmmt -156.31 157.23 35.35 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 106.09 -1.818 . . . . 0.0 106.09 172.615 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.517 HD21 HD23 ' A' ' 36' ' ' LEU . 38.3 tp -123.05 127.94 49.46 Favored 'General case' 0 C--N 1.302 -1.491 0 C-N-CA 119.784 -0.766 . . . . 0.0 109.18 176.638 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.449 ' HB2' ' HG3' ' A' ' 31' ' ' LYS . 0.9 OUTLIER -105.01 -178.33 3.62 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 179.942 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.586 ' CE ' ' HA ' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -82.74 -5.42 58.9 Favored 'General case' 0 C--N 1.307 -1.248 0 C-N-CA 119.601 -0.839 . . . . 0.0 111.664 -175.335 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.552 ' HD2' ' HG2' ' A' ' 22' ' ' GLU . 35.8 mttt -65.56 -45.42 83.4 Favored 'General case' 0 CA--C 1.505 -0.779 0 N-CA-C 107.651 -1.24 . . . . 0.0 107.651 179.059 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 36' ' ' LEU . 74.8 mm-40 -97.25 -40.68 8.65 Favored 'General case' 0 N--CA 1.431 -1.389 0 CA-C-N 113.908 -1.496 . . . . 0.0 112.093 -174.854 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.628 ' C ' HD13 ' A' ' 33' ' ' LEU . 2.7 tm? -58.87 -44.94 91.18 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 120.947 -0.301 . . . . 0.0 111.434 -172.423 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.4 mtpp -61.71 -42.01 98.38 Favored 'General case' 0 C--N 1.313 -1.021 0 C-N-CA 120.159 -0.616 . . . . 0.0 109.528 -179.174 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -72.67 -43.6 62.93 Favored 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.551 177.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.702 HD21 ' CE1' ' A' ' 74' ' ' TYR . 2.9 tp -61.45 -48.53 80.73 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.214 -0.903 . . . . 0.0 112.321 -178.695 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.816 HD12 ' SD ' ' A' ' 58' ' ' MET . 2.8 tm? -62.5 -46.57 87.85 Favored 'General case' 0 C--N 1.317 -0.846 0 C-N-CA 119.935 -0.706 . . . . 0.0 110.962 -174.364 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.699 ' HA ' HD22 ' A' ' 45' ' ' LEU . 14.5 pt20 -65.57 -42.69 91.49 Favored 'General case' 0 C--N 1.316 -0.861 0 C-N-CA 120.146 -0.621 . . . . 0.0 110.24 176.118 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 97.8 m -64.16 -52.38 59.29 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 112.832 0.678 . . . . 0.0 112.832 -176.817 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.417 ' HG2' HD12 ' A' ' 36' ' ' LEU . 75.3 mm-40 -76.15 -39.87 53.96 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 113.255 0.835 . . . . 0.0 113.255 -174.243 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.583 HD22 HD21 ' A' ' 37' ' ' LEU . 10.2 mp -87.32 38.08 0.8 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.027 0.441 . . . . 0.0 111.126 -179.009 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -41.83 -56.14 2.81 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-N 115.569 -0.741 . . . . 0.0 112.151 -178.346 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.411 ' H ' ' CD ' ' B' ' 5' ' ' GLU . . . -66.05 -43.79 92.72 Favored Glycine 0 C--N 1.317 -0.492 0 N-CA-C 111.67 -0.572 . . . . 0.0 111.67 -178.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.619 ' HA ' ' SD ' ' A' ' 85' ' ' MET . 47.4 m-85 -66.79 -42.66 85.65 Favored 'General case' 0 CA--C 1.498 -1.032 0 CA-C-O 121.261 0.553 . . . . 0.0 109.952 179.476 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.699 HD22 ' HA ' ' A' ' 38' ' ' GLN . 49.6 tp -61.71 -47.82 83.56 Favored 'General case' 0 N--CA 1.432 -1.346 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.365 177.036 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.442 ' OD1' ' NZ ' ' A' ' 49' ' ' LYS . 29.4 t70 -62.77 -42.43 99.68 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.143 0.497 . . . . 0.0 110.791 177.718 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.841 ' HB3' ' SD ' ' A' ' 85' ' ' MET . . . -75.14 -10.19 59.24 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.799 -178.319 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 44.4 mm-40 -111.57 3.23 17.83 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 -177.78 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.442 ' NZ ' ' OD1' ' A' ' 46' ' ' ASP . 42.0 mtmt -60.54 -32.9 71.93 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 177.229 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -81.2 8.88 7.83 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.375 -0.829 . . . . 0.0 110.914 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.559 ' O ' HG12 ' A' ' 54' ' ' VAL . 75.5 t -120.08 130.67 74.02 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 CA-C-O 121.416 0.627 . . . . 0.0 110.91 -176.374 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -65.37 -39.94 92.92 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.389 177.841 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.526 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -58.05 -35.17 70.95 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.475 -0.784 . . . . 0.0 113.107 -171.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.577 ' HA ' HD21 ' A' ' 81' ' ' LEU . 7.1 p -57.59 -46.66 86.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 C-N-CA 119.744 -0.782 . . . . 0.0 111.001 -175.546 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 59' ' ' LYS . 23.6 t70 -58.47 -48.8 79.58 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.12 0.486 . . . . 0.0 110.089 177.518 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.438 ' HD2' ' N ' ' A' ' 56' ' ' LYS . 2.8 mptp? -65.98 -41.33 91.3 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.769 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.557 HG12 HD12 ' A' ' 77' ' ' LEU . 57.9 t -60.44 -46.07 95.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 174.465 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.816 ' SD ' HD12 ' A' ' 37' ' ' LEU . 30.4 mmm -62.09 -44.25 97.07 Favored 'General case' 0 CA--C 1.504 -0.798 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.012 178.638 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.508 ' NZ ' ' OE2' ' A' ' 63' ' ' GLU . 20.9 tptp -67.65 -46.44 72.43 Favored 'General case' 0 N--CA 1.435 -1.21 0 CA-C-N 114.843 -1.071 . . . . 0.0 111.028 -176.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 -58.84 -46.29 88.07 Favored 'General case' 0 C--O 1.241 0.614 0 C-N-CA 120.351 -0.54 . . . . 0.0 109.737 179.74 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.663 ' HG ' HD13 ' A' ' 77' ' ' LEU . 1.8 mm? -63.7 -40.22 96.24 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.45 174.776 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.586 ' HA ' ' CE ' ' A' ' 30' ' ' LYS . 36.2 t70 -61.43 -42.71 99.18 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 120.273 -0.571 . . . . 0.0 110.452 177.47 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.508 ' OE2' ' NZ ' ' A' ' 59' ' ' LYS . 74.0 mm-40 -57.32 -46.25 83.44 Favored 'General case' 0 CA--C 1.512 -0.517 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 178.394 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.499 ' C ' ' H ' ' A' ' 66' ' ' ASP . 10.0 t-20 -65.23 -41.88 93.95 Favored 'General case' 0 CA--C 1.502 -0.88 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.443 178.346 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.551 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . . . -69.88 40.61 0.43 Allowed Glycine 0 C--O 1.238 0.404 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 178.377 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.499 ' H ' ' C ' ' A' ' 64' ' ' ASN . 32.7 t70 -63.77 -35.06 79.34 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 177.261 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -108.98 -66.53 0.58 Allowed Glycine 0 C--N 1.32 -0.348 0 N-CA-C 109.302 -1.519 . . . . 0.0 109.302 175.181 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.413 ' OE1' ' NZ ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -138.9 170.48 15.91 Favored 'General case' 0 CA--C 1.511 -0.526 0 CA-C-O 120.658 0.266 . . . . 0.0 110.366 177.959 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.475 HG11 ' HG ' ' A' ' 33' ' ' LEU . 1.5 p -125.41 129.58 72.93 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.099 0 N-CA-C 107.542 -1.281 . . . . 0.0 107.542 169.567 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -94.03 -179.89 5.11 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 119.733 -0.787 . . . . 0.0 111.851 -174.124 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.439 ' CE1' HD13 ' A' ' 12' ' ' ILE . 48.1 t80 -61.25 -44.57 97.03 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.948 -179.799 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.42 ' O ' HG22 ' A' ' 75' ' ' VAL . 33.6 mt-30 -59.93 -44.3 94.43 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.992 179.015 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.461 ' HA ' HG12 ' A' ' 76' ' ' VAL . 61.2 mt-10 -66.48 -40.6 89.42 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 121.1 0.476 . . . . 0.0 110.524 174.832 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.702 ' CE1' HD21 ' A' ' 36' ' ' LEU . 32.2 t80 -60.37 -47.96 83.81 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.435 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.694 HG21 ' CB ' ' B' ' 79' ' ' ALA . 18.6 m -63.47 -42.86 97.7 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 C-N-CA 119.645 -0.822 . . . . 0.0 111.422 179.219 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.461 HG12 ' HA ' ' A' ' 73' ' ' GLU . 14.1 p -67.49 -37.35 78.7 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.759 0 C-N-CA 119.922 -0.711 . . . . 0.0 110.915 -179.221 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.663 HD13 ' HG ' ' A' ' 61' ' ' LEU . 53.2 tp -60.78 -47.66 85.32 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.232 -0.587 . . . . 0.0 109.834 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.597 HG12 HD23 ' A' ' 37' ' ' LEU . 10.4 m -70.41 -43.05 78.5 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 C-N-CA 120.452 -0.499 . . . . 0.0 111.001 175.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.712 ' CB ' HG21 ' B' ' 75' ' ' VAL . . . -64.77 -38.92 92.62 Favored 'General case' 0 CA--C 1.511 -0.553 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.32 179.788 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 76' ' ' VAL . . . -56.79 -48.13 78.61 Favored 'General case' 0 CA--C 1.509 -0.63 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 178.723 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.577 HD21 ' HA ' ' A' ' 54' ' ' VAL . 99.5 mt -63.75 -41.17 98.05 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 115.025 -0.989 . . . . 0.0 109.773 174.797 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.478 HG21 ' HB3' ' B' ' 8' ' ' MET . 22.7 m -61.74 -51.05 69.93 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.546 -179.422 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 13.2 p -62.56 -44.34 99.27 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.424 0 C-N-CA 120.106 -0.637 . . . . 0.0 109.8 179.49 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.58 -51.61 68.79 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.256 177.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.841 ' SD ' ' HB3' ' A' ' 47' ' ' ALA . 9.2 ttt -71.13 -44.75 64.97 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.073 -0.651 . . . . 0.0 111.561 -179.804 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.429 ' HB2' ' O ' ' A' ' 82' ' ' THR . 8.2 m120 -65.94 -25.05 66.95 Favored 'General case' 0 CA--C 1.499 -1.006 0 C-N-CA 120.953 -0.299 . . . . 0.0 111.23 -177.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -55.95 -35.87 67.16 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 178.183 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -60.1 -41.15 91.91 Favored 'General case' 0 C--O 1.214 -0.771 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.953 178.028 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -55.85 -46.8 78.1 Favored 'General case' 0 CA--C 1.512 -0.487 0 CA-C-O 120.989 0.423 . . . . 0.0 110.661 -176.013 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.509 ' CE2' ' CD2' ' B' ' 16' ' ' HIS . 37.4 m95 . . . . . 0 C--N 1.303 -1.433 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.107 -177.109 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 2' ' ' SER . . . . . 0.418 ' O ' ' N ' ' B' ' 5' ' ' GLU . 18.8 m . . . . . 0 N--CA 1.449 -0.498 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 3' ' ' GLU . . . . . 0.459 ' H ' ' CD ' ' B' ' 3' ' ' GLU . 2.0 mp0 -51.4 -24.72 5.16 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 177.003 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.58 HD21 HG21 ' A' ' 14' ' ' VAL . 8.5 mp -61.74 -42.24 98.71 Favored 'General case' 0 N--CA 1.442 -0.851 0 CA-C-N 115.21 -0.905 . . . . 0.0 109.658 177.602 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 5' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' B' ' 2' ' ' SER . 31.0 mt-10 -62.49 -42.94 99.84 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 178.853 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 8.0 m -62.13 -44.57 96.34 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-N 115.272 -0.876 . . . . 0.0 109.103 173.156 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.496 ' HB1' ' HB1' ' A' ' 7' ' ' ALA . . . -57.34 -45.08 84.69 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.995 178.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 8' ' ' MET . . . . . 0.503 ' SD ' HD11 ' A' ' 11' ' ' LEU . 95.9 mmm -63.45 -41.88 98.65 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.332 -0.547 . . . . 0.0 109.879 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 9' ' ' GLU . . . . . 0.404 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 70.0 mt-10 -65.35 -37.14 86.15 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 120.325 -0.55 . . . . 0.0 110.463 173.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.597 ' O ' HG23 ' B' ' 14' ' ' VAL . 8.7 m -58.81 -43.19 90.5 Favored 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 176.327 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.714 HD23 ' CD1' ' A' ' 4' ' ' LEU . 99.4 mt -62.51 -42.6 99.62 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.969 175.011 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.539 HD13 ' CD1' ' B' ' 71' ' ' PHE . 18.4 mm -62.76 -46.09 97.22 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.003 -178.256 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 13' ' ' ASN . . . . . 0.404 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 50.2 m-80 -63.75 -42.28 97.88 Favored 'General case' 0 C--N 1.312 -1.065 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.255 -176.451 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.923 HG21 HD21 ' A' ' 4' ' ' LEU . 77.8 t -64.19 -46.78 92.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 175.828 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.595 ' CE2' ' HB2' ' B' ' 28' ' ' LEU . 64.1 t80 -57.2 -47.53 81.05 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.36 -0.837 . . . . 0.0 108.781 176.293 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.509 ' CD2' ' CE2' ' A' ' 90' ' ' TRP . 2.2 t-80 -61.51 -44.06 97.74 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.336 -179.031 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.02 -43.33 60.86 Favored 'General case' 0 CA--C 1.508 -0.661 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 -178.164 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.507 ' CD2' HD22 ' B' ' 36' ' ' LEU . 97.5 m-70 -69.22 -39.2 78.7 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-N 115.021 -0.991 . . . . 0.0 111.001 175.232 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 75.5 m -56.58 -40.48 75.29 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 176.543 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.19 -48.2 81.83 Favored Glycine 0 N--CA 1.443 -0.863 0 N-CA-C 109.799 -1.32 . . . . 0.0 109.799 176.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 65.4 mmtt -66.35 -40.6 89.93 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.747 0.308 . . . . 0.0 111.309 178.681 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.481 ' HG3' ' H ' ' B' ' 24' ' ' ASP . 4.7 tp10 -63.57 -35.17 79.61 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.305 176.346 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 107.01 -13.13 41.12 Favored Glycine 0 C--O 1.237 0.338 0 C-N-CA 121.141 -0.552 . . . . 0.0 111.786 175.438 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 24' ' ' ASP . . . . . 0.481 ' H ' ' HG3' ' B' ' 22' ' ' GLU . 9.4 t70 -77.83 148.7 34.59 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.616 -0.434 . . . . 0.0 110.337 177.558 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.405 ' HE2' ' CZ ' ' B' ' 26' ' ' TYR . 18.0 pttm -63.49 -30.87 71.93 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 120.476 -0.49 . . . . 0.0 110.356 176.379 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.405 ' CZ ' ' HE2' ' B' ' 25' ' ' LYS . 2.1 p90 -164.17 93.35 0.69 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.651 170.546 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.522 ' HE2' ' HB2' ' B' ' 68' ' ' GLU . 1.1 mmtm -164.12 161.41 22.33 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 114.835 -1.075 . . . . 0.0 108.521 172.064 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.595 ' HB2' ' CE2' ' B' ' 15' ' ' PHE . 47.3 tp -124.64 121.27 34.24 Favored 'General case' 0 C--N 1.306 -1.289 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 174.85 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 11.3 p -85.89 170.71 12.11 Favored 'General case' 0 C--N 1.315 -0.928 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 176.698 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.624 ' CE ' ' HA ' ' B' ' 62' ' ' ASP . 3.8 mmmm -72.66 -6.36 43.82 Favored 'General case' 0 C--N 1.315 -0.9 0 C-N-CA 120.139 -0.624 . . . . 0.0 109.786 179.145 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 22.0 mttm -63.53 -65.91 0.62 Allowed 'General case' 0 CA--C 1.511 -0.553 0 CA-C-O 122.311 1.053 . . . . 0.0 108.286 177.298 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.492 ' CB ' ' HB3' ' B' ' 18' ' ' HIS . 70.8 mm-40 -72.86 -39.52 66.43 Favored 'General case' 0 N--CA 1.431 -1.423 0 CA-C-N 113.553 -1.658 . . . . 0.0 112.749 -175.524 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.583 HD13 ' C ' ' B' ' 33' ' ' LEU . 3.0 tm? -59.15 -43.96 92.07 Favored 'General case' 0 CA--C 1.51 -0.582 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.203 -173.073 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.494 ' NZ ' ' HB3' ' B' ' 34' ' ' LYS . 9.3 mtpm? -63.02 -43.02 99.89 Favored 'General case' 0 C--N 1.315 -0.907 0 C-N-CA 120.255 -0.578 . . . . 0.0 110.299 179.353 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.439 ' O ' ' OG1' ' B' ' 39' ' ' THR . 69.2 mm-40 -66.09 -46.6 77.09 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 177.294 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.721 HD21 ' CE1' ' B' ' 74' ' ' TYR . 9.1 tp -62.03 -51.39 68.2 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-N 114.564 -1.198 . . . . 0.0 113.611 -178.053 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.643 HD12 ' SD ' ' B' ' 58' ' ' MET . 2.9 tm? -63.53 -47.61 80.94 Favored 'General case' 0 C--N 1.316 -0.856 0 C-N-CA 119.786 -0.766 . . . . 0.0 111.527 -172.45 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -66.14 -41.54 90.29 Favored 'General case' 0 C--N 1.314 -0.957 0 C-N-CA 120.286 -0.566 . . . . 0.0 110.485 178.191 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.439 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 68.8 m -64.84 -55.73 17.75 Favored 'General case' 0 C--O 1.244 0.796 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -177.588 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -70.88 -40.44 72.25 Favored 'General case' 0 CA--C 1.51 -0.571 0 N-CA-C 112.629 0.603 . . . . 0.0 112.629 -176.516 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.439 HD21 ' HB ' ' B' ' 78' ' ' VAL . 9.2 mp -98.23 21.9 10.3 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.62 -179.666 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -48.73 -36.24 15.9 Favored 'General case' 0 N--CA 1.443 -0.782 0 C-N-CA 120.604 -0.438 . . . . 0.0 110.375 -179.273 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -64.76 -51.09 54.8 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 110.894 -0.883 . . . . 0.0 110.894 175.348 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.435 ' CD1' ' HG2' ' A' ' 5' ' ' GLU . 41.2 m-85 -63.81 -43.12 97.23 Favored 'General case' 0 CA--C 1.509 -0.628 0 CA-C-O 121.225 0.536 . . . . 0.0 110.386 176.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.517 ' O ' HD12 ' B' ' 45' ' ' LEU . 2.3 tp -59.14 -47.95 83.4 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.476 179.704 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -65.05 -41.09 95.47 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-O 121.076 0.465 . . . . 0.0 110.662 173.478 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 47' ' ' ALA . . . . . 0.442 ' HB1' ' SD ' ' B' ' 85' ' ' MET . . . -59.7 -47.83 84.09 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.922 -176.506 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.53 ' NE2' ' SD ' ' B' ' 85' ' ' MET . 0.0 OUTLIER -109.69 23.04 14.95 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -179.181 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.472 ' O ' ' NZ ' ' B' ' 49' ' ' LYS . 0.3 OUTLIER -59.58 -29.74 68.16 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 177.901 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 30.4 p-10 -78.44 -5.9 53.77 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.232 -177.745 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 51' ' ' VAL . . . . . 0.797 ' O ' HG12 ' B' ' 54' ' ' VAL . 57.5 t -85.02 127.95 39.43 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.655 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 177.663 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -59.35 -39.17 82.33 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-O 121.358 0.599 . . . . 0.0 110.002 -179.046 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.718 ' O ' HG23 ' B' ' 57' ' ' VAL . . . -58.67 -24.59 61.56 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-N 115.375 -0.83 . . . . 0.0 112.185 -178.545 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.797 HG12 ' O ' ' B' ' 51' ' ' VAL . 9.4 p -57.77 -45.41 87.05 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 C-N-CA 120.067 -0.653 . . . . 0.0 110.963 -174.485 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -60.98 -48.03 83.71 Favored 'General case' 0 CA--C 1.51 -0.559 0 CA-C-O 121.73 0.776 . . . . 0.0 109.487 177.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 56' ' ' LYS . . . . . 0.47 ' HA ' ' HB3' ' B' ' 59' ' ' LYS . 59.6 mttm -64.37 -39.12 93.25 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 114.194 -1.367 . . . . 0.0 111.806 -178.26 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.718 HG23 ' O ' ' B' ' 53' ' ' ALA . 71.4 t -60.04 -46.76 93.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 176.615 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 58' ' ' MET . . . . . 0.643 ' SD ' HD12 ' B' ' 37' ' ' LEU . 7.2 mmm -62.31 -43.38 98.96 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.675 0.75 . . . . 0.0 109.105 176.631 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 59' ' ' LYS . . . . . 0.47 ' HB3' ' HA ' ' B' ' 56' ' ' LYS . 28.0 tptp -63.58 -47.29 82.09 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-N 114.482 -1.236 . . . . 0.0 111.292 -176.825 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 78.8 tt0 -58.92 -42.76 90.46 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 -177.108 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.794 ' HG ' HD13 ' B' ' 77' ' ' LEU . 2.8 mm? -63.41 -41.01 98.72 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.777 174.444 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.624 ' HA ' ' CE ' ' B' ' 30' ' ' LYS . 44.1 t0 -60.14 -46.66 88.89 Favored 'General case' 0 N--CA 1.443 -0.81 0 C-N-CA 119.546 -0.862 . . . . 0.0 110.137 177.064 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.72 -45.92 90.5 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.595 178.567 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 64' ' ' ASN . . . . . 0.452 ' C ' ' H ' ' B' ' 66' ' ' ASP . 12.4 t-20 -63.81 -41.98 97.77 Favored 'General case' 0 CA--C 1.498 -1.047 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 178.454 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 65' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' B' ' 61' ' ' LEU . . . -69.48 50.64 0.62 Allowed Glycine 0 N--CA 1.444 -0.776 0 N-CA-C 109.684 -1.367 . . . . 0.0 109.684 178.206 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.452 ' H ' ' C ' ' B' ' 64' ' ' ASN . 33.6 t70 -61.69 -37.57 84.63 Favored 'General case' 0 CA--C 1.498 -1.052 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 178.414 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -113.52 -73.67 0.62 Allowed Glycine 0 C--N 1.316 -0.551 0 N-CA-C 109.644 -1.383 . . . . 0.0 109.644 175.731 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.522 ' HB2' ' HE2' ' B' ' 27' ' ' LYS . 0.9 OUTLIER -127.65 178.14 6.32 Favored 'General case' 0 C--N 1.314 -0.946 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 178.676 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.495 HG23 ' CB ' ' B' ' 73' ' ' GLU . 1.8 p -127.76 133.2 68.0 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.189 0 N-CA-C 107.784 -1.191 . . . . 0.0 107.784 169.795 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -98.07 -178.8 4.18 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 120.344 -0.542 . . . . 0.0 111.815 -174.049 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.539 ' CD1' HD13 ' B' ' 12' ' ' ILE . 65.8 t80 -61.4 -44.63 96.81 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.526 -179.222 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.44 ' O ' HG22 ' B' ' 75' ' ' VAL . 47.4 mt-30 -59.7 -42.7 93.57 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.825 178.88 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.514 ' HA ' HG12 ' B' ' 76' ' ' VAL . 91.0 mt-10 -67.39 -38.75 85.17 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.475 176.469 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 74' ' ' TYR . . . . . 0.721 ' CE1' HD21 ' B' ' 36' ' ' LEU . 32.0 t80 -60.72 -48.23 82.72 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.28 178.619 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.712 HG21 ' CB ' ' A' ' 79' ' ' ALA . 17.6 m -64.48 -42.69 95.98 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 C-N-CA 120.067 -0.653 . . . . 0.0 111.899 179.83 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.514 HG12 ' HA ' ' B' ' 73' ' ' GLU . 12.0 p -65.47 -39.65 85.82 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 C-N-CA 120.429 -0.508 . . . . 0.0 110.968 -178.133 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.794 HD13 ' HG ' ' B' ' 61' ' ' LEU . 57.4 tp -61.09 -48.27 82.45 Favored 'General case' 0 CA--C 1.515 -0.388 0 C-N-CA 120.412 -0.515 . . . . 0.0 110.063 -179.615 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.534 HG12 HD23 ' B' ' 37' ' ' LEU . 15.6 m -69.07 -41.55 81.62 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 C-N-CA 120.336 -0.546 . . . . 0.0 110.736 176.83 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.694 ' CB ' HG21 ' A' ' 75' ' ' VAL . . . -63.16 -40.09 96.53 Favored 'General case' 0 CA--C 1.507 -0.699 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.06 178.737 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 80' ' ' ALA . . . . . 0.655 ' O ' HG12 ' B' ' 83' ' ' VAL . . . -56.28 -48.74 76.02 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 -179.532 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.405 ' HG ' HG11 ' B' ' 57' ' ' VAL . 98.8 mt -65.57 -41.58 92.77 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.046 174.775 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 18.5 m -60.44 -46.14 91.12 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.579 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.655 HG12 ' O ' ' B' ' 80' ' ' ALA . 2.7 p -62.68 -41.76 93.5 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.74 0 C-N-CA 120.402 -0.519 . . . . 0.0 109.831 178.063 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.05 -47.86 84.1 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 174.208 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 85' ' ' MET . . . . . 0.53 ' SD ' ' NE2' ' B' ' 48' ' ' GLN . 12.6 tpt -59.26 -43.79 92.44 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.7 177.168 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 86' ' ' ASN . . . . . 0.615 ' OD1' ' NE2' ' A' ' 16' ' ' HIS . 32.5 t30 -62.34 -43.14 99.52 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.603 178.74 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 32.6 t30 -62.67 -44.42 96.29 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 120.39 -0.524 . . . . 0.0 110.389 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -64.69 -32.68 74.46 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.403 175.286 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 3.6 t80 . . . . . 0 N--CA 1.445 -0.682 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 -177.037 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.434 ' C ' ' N ' ' A' ' 4' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--O 1.24 0.554 0 CA-C-O 120.828 0.347 . . . . 0.0 111.6 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.457 ' H ' ' CD ' ' A' ' 3' ' ' GLU . 1.9 mp0 -41.78 -24.31 0.04 OUTLIER 'General case' 0 CA--C 1.509 -0.613 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.984 178.474 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.696 ' CD1' HD23 ' B' ' 11' ' ' LEU . 2.3 mm? -61.02 -42.41 98.42 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.819 -174.356 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.459 ' O ' ' HG3' ' A' ' 9' ' ' GLU . 93.2 mt-10 -65.92 -44.03 86.36 Favored 'General case' 0 N--CA 1.443 -0.787 0 C-N-CA 119.729 -0.788 . . . . 0.0 109.706 176.235 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 14.3 m -61.08 -45.55 94.28 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.813 176.682 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 3' ' ' GLU . . . -55.39 -47.75 75.4 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 178.67 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.529 ' HE1' ' HB2' ' B' ' 79' ' ' ALA . 94.9 mmm -64.7 -40.75 95.9 Favored 'General case' 0 C--O 1.239 0.55 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.672 177.561 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.459 ' HG3' ' O ' ' A' ' 5' ' ' GLU . 88.7 mt-10 -62.39 -37.54 86.13 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 177.685 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.3 m -59.59 -44.92 93.2 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 178.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.608 HD11 ' SD ' ' B' ' 8' ' ' MET . 85.5 mt -62.86 -40.77 98.49 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.241 175.894 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 22.1 mm -61.93 -45.53 98.5 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.54 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.053 -179.358 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -61.38 -44.74 96.64 Favored 'General case' 0 C--N 1.316 -0.863 0 C-N-CA 120.749 -0.38 . . . . 0.0 110.521 -177.484 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.78 HG21 HD11 ' B' ' 4' ' ' LEU . 74.2 t -63.99 -48.07 87.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 C-N-CA 120.56 -0.456 . . . . 0.0 110.048 177.443 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.535 ' CE2' ' HB2' ' A' ' 28' ' ' LEU . 56.8 t80 -61.09 -48.52 81.31 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.42 0.628 . . . . 0.0 109.892 177.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -60.57 -45.33 94.35 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.968 -1.015 . . . . 0.0 111.219 -175.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.14 -46.72 79.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.308 -0.405 . . . . 0.0 109.975 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.414 ' ND1' ' OE1' ' A' ' 32' ' ' GLU . 87.9 m-70 -67.22 -37.75 84.1 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.994 176.566 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.497 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 25.1 m -56.31 -41.12 75.47 Favored 'General case' 0 CA--C 1.511 -0.52 0 C-N-CA 120.156 -0.618 . . . . 0.0 109.471 177.01 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.51 -36.11 83.26 Favored Glycine 0 N--CA 1.445 -0.737 0 N-CA-C 110.481 -1.048 . . . . 0.0 110.481 178.141 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.5 mmtp -65.08 -47.22 78.03 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -175.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -152.88 -35.45 0.11 Allowed 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 112.616 0.599 . . . . 0.0 112.616 -178.649 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.5 91.6 0.17 Allowed Glycine 0 CA--C 1.526 0.722 0 C-N-CA 121.585 -0.341 . . . . 0.0 112.75 -172.547 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.523 ' CG ' ' H ' ' A' ' 25' ' ' LYS . 14.6 t70 37.87 -148.06 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 122.925 0.49 . . . . 0.0 110.288 174.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.523 ' H ' ' CG ' ' A' ' 24' ' ' ASP . 16.1 pttm -93.0 -34.32 13.78 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 169.831 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.473 ' O ' ' HG2' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -131.79 92.37 3.13 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.284 165.143 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.605 ' NZ ' ' HB2' ' A' ' 70' ' ' ASP . 30.9 mmtt -164.17 166.19 21.39 Favored 'General case' 0 CA--C 1.497 -1.092 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.339 175.625 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.623 ' CD2' HD23 ' A' ' 33' ' ' LEU . 45.8 tp -125.88 130.18 50.82 Favored 'General case' 0 C--N 1.296 -1.725 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 171.625 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -81.83 156.29 24.95 Favored 'General case' 0 C--N 1.316 -0.875 0 C-N-CA 119.686 -0.805 . . . . 0.0 109.55 -177.864 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.484 ' NZ ' ' O ' ' A' ' 65' ' ' GLY . 0.7 OUTLIER -69.93 -4.42 20.48 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 177.437 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.42 ' H ' ' HG3' ' A' ' 31' ' ' LYS . 30.9 mttt -79.58 -59.36 2.78 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 178.516 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.426 ' O ' ' HB3' ' A' ' 36' ' ' LEU . 80.6 mm-40 -66.77 -39.01 87.68 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-N 113.69 -1.595 . . . . 0.0 110.215 -179.528 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.694 HD21 HD23 ' A' ' 77' ' ' LEU . 2.8 tm? -59.18 -43.53 92.17 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.204 -171.703 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 50.2 mttp -62.36 -45.52 92.82 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 119.838 -0.745 . . . . 0.0 109.732 -178.748 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -72.45 -49.42 33.51 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.075 -177.166 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.52 ' HG ' ' N ' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -63.55 -44.36 94.38 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.817 -0.628 . . . . 0.0 111.484 -179.639 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.585 HD13 ' C ' ' A' ' 37' ' ' LEU . 3.0 tm? -61.98 -46.29 89.89 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 119.962 -0.695 . . . . 0.0 110.837 -177.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -65.67 -40.45 92.41 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 119.611 -0.835 . . . . 0.0 110.393 176.847 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 97.8 m -62.95 -51.01 68.56 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.039 179.093 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.656 ' HB3' HD12 ' B' ' 4' ' ' LEU . 65.4 mm-40 -72.73 -39.43 66.91 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 120.392 -0.523 . . . . 0.0 112.142 -174.692 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.566 HD22 HD21 ' A' ' 37' ' ' LEU . 11.1 mp -105.57 31.91 4.66 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 111.886 0.328 . . . . 0.0 111.886 -176.447 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 50.6 m -52.57 -40.99 63.18 Favored 'General case' 0 C--N 1.319 -0.76 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.906 -178.271 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -63.17 -46.92 92.1 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.441 -0.664 . . . . 0.0 111.441 179.089 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.429 ' CD2' ' HG2' ' B' ' 5' ' ' GLU . 17.4 m-85 -70.15 -43.23 71.31 Favored 'General case' 0 CA--C 1.5 -0.968 0 CA-C-O 121.391 0.615 . . . . 0.0 109.918 176.667 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 49' ' ' LYS . 49.0 tp -61.15 -47.01 88.2 Favored 'General case' 0 N--CA 1.435 -1.186 0 CA-C-N 115.125 -0.943 . . . . 0.0 111.182 -179.491 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -64.11 -39.16 93.45 Favored 'General case' 0 C--N 1.318 -0.765 0 C-N-CA 120.266 -0.574 . . . . 0.0 110.337 178.207 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.59 ' HB3' ' HG3' ' A' ' 85' ' ' MET . . . -60.86 -35.04 75.58 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.654 -179.134 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.451 HE21 ' C ' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -131.3 41.63 3.3 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.985 -0.286 . . . . 0.0 111.598 179.149 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -65.5 -38.93 91.16 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.854 0.359 . . . . 0.0 110.593 179.772 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.437 ' OD1' ' NZ ' ' A' ' 49' ' ' LYS . 1.0 OUTLIER -98.02 5.34 48.86 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-N 115.832 -0.622 . . . . 0.0 112.419 -176.056 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.625 ' O ' HG12 ' A' ' 54' ' ' VAL . 16.3 t -83.4 120.59 34.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 176.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.515 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 23.6 t70 -48.54 -33.69 10.06 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-O 121.109 0.481 . . . . 0.0 111.18 -176.277 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.494 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -49.64 -33.21 14.83 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.627 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.625 HG12 ' O ' ' A' ' 51' ' ' VAL . 10.0 p -60.88 -46.59 96.08 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 C-N-CA 120.601 -0.44 . . . . 0.0 110.583 -178.476 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -62.27 -40.55 96.59 Favored 'General case' 0 CA--C 1.5 -0.958 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 177.004 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.515 ' NZ ' ' OD2' ' A' ' 52' ' ' ASP . 41.5 mmtm -64.98 -41.23 95.62 Favored 'General case' 0 N--CA 1.439 -1.006 0 CA-C-N 115.226 -0.897 . . . . 0.0 109.826 -178.641 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.572 HG11 ' HG ' ' A' ' 81' ' ' LEU . 54.3 t -60.69 -44.48 97.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 173.795 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.553 ' HG2' ' O ' ' A' ' 54' ' ' VAL . 59.0 mmm -60.21 -41.69 93.54 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.636 0.731 . . . . 0.0 109.661 176.664 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.447 ' NZ ' ' OE2' ' A' ' 63' ' ' GLU . 14.4 tptp -63.73 -47.06 82.61 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 114.671 -1.15 . . . . 0.0 111.265 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -57.53 -45.24 85.29 Favored 'General case' 0 C--O 1.244 0.785 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 179.314 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.788 ' HG ' HD13 ' A' ' 77' ' ' LEU . 3.3 mm? -66.43 -41.08 89.7 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.799 174.881 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.456 ' OD1' ' NZ ' ' A' ' 30' ' ' LYS . 28.2 t70 -60.84 -37.08 80.82 Favored 'General case' 0 CA--C 1.508 -0.671 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.718 -174.041 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.447 ' OE2' ' NZ ' ' A' ' 59' ' ' LYS . 98.7 mt-10 -62.98 -47.77 81.71 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 179.812 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 63.2 m-20 -64.89 -45.95 83.82 Favored 'General case' 0 CA--C 1.505 -0.781 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.792 172.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.484 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . . . -75.67 53.6 2.86 Favored Glycine 0 CA--C 1.493 -1.327 0 N-CA-C 110.304 -1.119 . . . . 0.0 110.304 -178.455 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -60.5 -39.23 86.98 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 108.466 -0.938 . . . . 0.0 108.466 177.751 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -126.72 -68.95 0.17 Allowed Glycine 0 C--N 1.318 -0.447 0 N-CA-C 110.202 -1.159 . . . . 0.0 110.202 175.077 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -110.03 162.06 14.91 Favored 'General case' 0 C--N 1.313 -0.995 0 C-N-CA 122.824 0.45 . . . . 0.0 110.004 177.41 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.5 HG13 ' HB3' ' A' ' 28' ' ' LEU . 2.1 p -120.53 130.64 74.25 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.361 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 175.891 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.613 ' CG ' ' N ' ' A' ' 71' ' ' PHE . 0.1 OUTLIER -92.59 175.11 6.94 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.186 0.517 . . . . 0.0 112.259 -173.55 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.684 ' O ' HG22 ' A' ' 75' ' ' VAL . 59.9 t80 -60.27 -45.3 93.8 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.955 -178.175 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -60.52 -38.64 85.03 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 179.05 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.628 ' O ' HD11 ' A' ' 61' ' ' LEU . 98.1 mt-10 -70.21 -44.89 67.71 Favored 'General case' 0 C--N 1.31 -1.136 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.248 176.032 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 45.1 t80 -60.82 -48.15 83.13 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.887 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 1.004 HG21 ' CB ' ' B' ' 79' ' ' ALA . 17.4 m -61.12 -43.48 96.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 C-N-CA 120.253 -0.579 . . . . 0.0 111.558 -178.112 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.574 ' O ' ' N ' ' A' ' 80' ' ' ALA . 12.7 p -66.57 -34.5 70.49 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.746 0 C-N-CA 120.035 -0.666 . . . . 0.0 110.049 178.19 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.788 HD13 ' HG ' ' A' ' 61' ' ' LEU . 48.9 tp -61.37 -48.7 80.06 Favored 'General case' 0 CA--C 1.512 -0.498 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.442 178.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.494 HG12 HD23 ' A' ' 37' ' ' LEU . 18.6 m -68.59 -42.58 83.53 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.831 0 C-N-CA 119.874 -0.73 . . . . 0.0 110.316 176.4 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.875 ' CB ' HG21 ' B' ' 75' ' ' VAL . . . -61.71 -40.99 97.0 Favored 'General case' 0 CA--C 1.506 -0.727 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.552 177.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.574 ' N ' ' O ' ' A' ' 76' ' ' VAL . . . -57.58 -50.69 72.29 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.584 -178.665 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.572 ' HG ' HG11 ' A' ' 57' ' ' VAL . 93.5 mt -63.19 -40.72 98.32 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.587 174.489 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.416 ' O ' ' HB2' ' A' ' 86' ' ' ASN . 21.1 m -59.42 -50.52 73.63 Favored 'General case' 0 N--CA 1.445 -0.704 0 C-N-CA 120.311 -0.555 . . . . 0.0 110.114 179.337 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.435 HG11 ' HG3' ' B' ' 72' ' ' GLN . 14.0 p -65.44 -43.11 94.65 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 C-N-CA 119.786 -0.766 . . . . 0.0 110.338 176.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.41 -52.53 64.99 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.471 179.049 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.59 ' HG3' ' HB3' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -68.71 -43.64 75.56 Favored 'General case' 0 CA--C 1.516 -0.337 0 C-N-CA 120.485 -0.486 . . . . 0.0 110.511 177.264 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.617 ' ND2' HG13 ' B' ' 12' ' ' ILE . 80.8 m-20 -61.89 -34.4 75.97 Favored 'General case' 0 CA--C 1.489 -1.375 0 C-N-CA 120.306 -0.558 . . . . 0.0 111.35 -179.179 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.562 ' HA ' ' CD1' ' A' ' 90' ' ' TRP . 0.3 OUTLIER -45.22 -38.3 5.3 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 177.906 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.428 ' HB3' ' O ' ' A' ' 85' ' ' MET . 90.2 t80 -61.67 -45.39 94.22 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.731 173.83 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.577 ' N ' ' O ' ' A' ' 86' ' ' ASN . 10.8 m-85 -61.24 -46.54 89.97 Favored 'General case' 0 C--O 1.219 -0.537 0 N-CA-C 113.656 0.984 . . . . 0.0 113.656 -178.3 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.587 ' CD1' ' O ' ' A' ' 86' ' ' ASN . 2.6 m95 . . . . . 0 N--CA 1.474 0.773 0 C-N-CA 118.638 -1.225 . . . . 0.0 107.96 -176.716 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 2' ' ' SER . . . . . 0.508 ' N ' ' O ' ' A' ' 40' ' ' GLU . 70.6 m . . . . . 0 N--CA 1.447 -0.579 0 CA-C-O 120.924 0.392 . . . . 0.0 111.018 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 3' ' ' GLU . . . . . 0.516 ' H ' ' CD ' ' B' ' 3' ' ' GLU . 50.0 mp0 -55.15 -17.83 4.8 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 175.648 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.78 HD11 HG21 ' A' ' 14' ' ' VAL . 47.2 mt -60.93 -39.91 91.2 Favored 'General case' 0 N--CA 1.438 -1.06 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.195 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 5' ' ' GLU . . . . . 0.429 ' HG2' ' CD2' ' A' ' 44' ' ' PHE . 95.8 mt-10 -61.33 -41.78 97.6 Favored 'General case' 0 N--CA 1.445 -0.696 0 C-N-CA 119.289 -0.964 . . . . 0.0 108.852 175.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 7.6 m -61.99 -45.92 91.5 Favored 'General case' 0 C--O 1.239 0.504 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 174.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.61 -47.6 83.82 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.87 177.691 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 8' ' ' MET . . . . . 0.608 ' SD ' HD11 ' A' ' 11' ' ' LEU . 97.0 mmm -64.27 -41.55 96.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.553 176.872 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 9' ' ' GLU . . . . . 0.429 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 4.4 mm-40 -60.51 -37.28 80.63 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 174.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 10.6 m -60.45 -44.25 96.04 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 176.384 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.696 HD23 ' CD1' ' A' ' 4' ' ' LEU . 81.2 mt -62.34 -42.38 99.34 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.755 174.854 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.617 HG13 ' ND2' ' A' ' 86' ' ' ASN . 11.9 mm -62.98 -44.51 99.7 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.611 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 179.693 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 13' ' ' ASN . . . . . 0.429 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 44.4 m-80 -60.63 -45.46 93.97 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.43 -177.63 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.642 HG21 HD21 ' A' ' 4' ' ' LEU . 38.2 t -64.04 -49.02 83.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.832 176.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.616 ' CE1' ' HB2' ' B' ' 28' ' ' LEU . 65.2 t80 -60.24 -47.48 85.81 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-O 121.611 0.72 . . . . 0.0 109.323 177.864 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.47 ' CG ' ' CZ3' ' A' ' 90' ' ' TRP . 0.7 OUTLIER -58.68 -43.95 90.11 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 114.744 -1.116 . . . . 0.0 110.561 -178.771 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.473 ' O ' ' HG2' ' B' ' 21' ' ' LYS . . . -54.57 -50.18 68.58 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.703 -179.209 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.506 ' ND1' ' HB3' ' B' ' 32' ' ' GLU . 96.5 m-70 -66.54 -39.09 88.41 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.08 178.572 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 19.9 m -58.39 -41.6 85.2 Favored 'General case' 0 CA--C 1.513 -0.445 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 174.071 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.4 -34.31 87.82 Favored Glycine 0 N--CA 1.446 -0.672 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 177.037 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 21' ' ' LYS . . . . . 0.473 ' HG2' ' O ' ' B' ' 17' ' ' ALA . 25.5 mmtp -65.26 -49.54 69.2 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 120.142 -0.623 . . . . 0.0 110.456 -178.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' B' ' 24' ' ' ASP . 76.7 mt-10 -156.2 -29.19 0.1 Allowed 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.84 -179.173 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 23' ' ' GLY . . . . . 0.458 ' HA3' ' O ' ' B' ' 27' ' ' LYS . . . -60.81 70.2 0.01 OUTLIER Glycine 0 CA--C 1.527 0.843 0 CA-C-N 116.338 -0.392 . . . . 0.0 112.727 -171.446 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 24' ' ' ASP . . . . . 0.574 ' CG ' ' H ' ' B' ' 25' ' ' LYS . 23.3 t70 36.28 -154.7 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.927 0.891 . . . . 0.0 111.785 178.863 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.574 ' H ' ' CG ' ' B' ' 24' ' ' ASP . 0.0 OUTLIER -64.25 -47.02 81.2 Favored 'General case' 0 CA--C 1.493 -1.214 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 -178.788 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.408 ' O ' ' HG2' ' B' ' 27' ' ' LYS . 0.0 OUTLIER -151.77 93.09 1.81 Allowed 'General case' 0 N--CA 1.43 -1.462 0 CA-C-N 114.979 -1.009 . . . . 0.0 110.526 172.733 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.458 ' O ' ' HA3' ' B' ' 23' ' ' GLY . 22.9 mmmt -158.36 169.61 24.08 Favored 'General case' 0 C--N 1.317 -0.848 0 C-N-CA 124.558 1.143 . . . . 0.0 108.169 174.261 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.616 ' HB2' ' CE1' ' B' ' 15' ' ' PHE . 45.9 tp -124.97 123.44 39.89 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 110.466 -0.198 . . . . 0.0 110.466 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 12.8 p -79.61 160.17 26.49 Favored 'General case' 0 C--O 1.241 0.651 0 CA-C-O 120.718 0.294 . . . . 0.0 111.43 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.517 ' NZ ' ' O ' ' B' ' 62' ' ' ASP . 0.2 OUTLIER -74.13 -8.61 56.77 Favored 'General case' 0 CA--C 1.511 -0.553 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 176.717 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -65.5 -42.63 91.93 Favored 'General case' 0 CA--C 1.496 -1.099 0 N-CA-C 106.85 -1.537 . . . . 0.0 106.85 177.104 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.515 ' O ' ' HB3' ' B' ' 36' ' ' LEU . 61.1 mm-40 -100.39 -41.91 6.83 Favored 'General case' 0 N--CA 1.423 -1.814 0 CA-C-N 112.226 -2.261 . . . . 0.0 110.146 -171.235 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.619 HD21 HD23 ' B' ' 77' ' ' LEU . 2.6 tm? -57.66 -45.78 85.1 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.176 -172.334 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.481 ' NZ ' ' OD1' ' B' ' 62' ' ' ASP . 67.8 mttm -63.76 -43.88 95.12 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 120.15 -0.62 . . . . 0.0 110.448 178.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -69.21 -49.35 57.26 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.489 -179.696 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.535 ' O ' HD12 ' B' ' 36' ' ' LEU . 0.1 OUTLIER -62.56 -46.49 88.12 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.823 -0.626 . . . . 0.0 112.447 -179.394 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.585 HD13 ' C ' ' B' ' 37' ' ' LEU . 3.0 tm? -61.92 -47.55 84.44 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 119.766 -0.773 . . . . 0.0 111.291 -174.42 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -65.91 -41.34 91.57 Favored 'General case' 0 C--N 1.318 -0.784 0 C-N-CA 120.189 -0.605 . . . . 0.0 110.236 177.36 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 96.6 m -63.32 -50.92 68.12 Favored 'General case' 0 N--CA 1.441 -0.896 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.576 -179.469 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.412 ' CG ' HD12 ' B' ' 36' ' ' LEU . 79.1 mm-40 -73.11 -41.05 64.45 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -177.588 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.434 HD21 ' HB ' ' B' ' 78' ' ' VAL . 9.8 mp -105.39 33.98 3.45 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.32 -176.117 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 18.3 m -51.94 -40.89 61.53 Favored 'General case' 0 C--N 1.314 -0.951 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.719 -177.442 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 43' ' ' GLY . . . . . 0.405 ' N ' ' OE2' ' A' ' 5' ' ' GLU . . . -66.66 -48.32 62.88 Favored Glycine 0 C--N 1.32 -0.313 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 178.219 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.6 ' CD1' ' SD ' ' B' ' 85' ' ' MET . 41.8 m-85 -65.57 -41.48 92.87 Favored 'General case' 0 CA--C 1.508 -0.667 0 CA-C-O 121.02 0.438 . . . . 0.0 110.525 177.449 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.54 ' O ' ' HB2' ' B' ' 49' ' ' LYS . 8.0 tp -60.37 -50.67 72.68 Favored 'General case' 0 C--N 1.309 -1.165 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.719 176.185 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -66.79 -42.32 86.19 Favored 'General case' 0 C--N 1.313 -1.018 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 176.792 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 47' ' ' ALA . . . . . 0.508 ' CB ' ' SD ' ' B' ' 85' ' ' MET . . . -56.39 -47.97 77.85 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.51 -176.371 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -116.5 28.47 8.55 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 179.602 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.54 ' HB2' ' O ' ' B' ' 45' ' ' LEU . 58.2 tttm -60.06 -45.87 91.45 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.291 0.567 . . . . 0.0 109.725 179.42 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -68.02 -18.19 64.63 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.652 -178.418 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 51' ' ' VAL . . . . . 0.567 ' O ' ' N ' ' B' ' 53' ' ' ALA . 47.8 t -65.74 -0.6 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.927 0 CA-C-N 116.284 -0.417 . . . . 0.0 112.108 -174.276 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.9 t70 63.24 -46.01 0.22 Allowed 'General case' 0 N--CA 1.475 0.788 0 CA-C-O 120.764 0.316 . . . . 0.0 111.202 179.12 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.567 ' N ' ' O ' ' B' ' 51' ' ' VAL . . . -51.64 -26.1 8.34 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.977 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.548 HG23 HD22 ' B' ' 81' ' ' LEU . 8.8 p -58.04 -44.63 87.5 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.711 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 177.536 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.468 ' OD2' ' NZ ' ' B' ' 59' ' ' LYS . 35.0 t70 -62.91 -44.81 95.09 Favored 'General case' 0 CA--C 1.496 -1.113 0 CA-C-O 121.483 0.658 . . . . 0.0 109.593 173.532 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 12.9 mmtp -63.2 -44.24 95.93 Favored 'General case' 0 C--N 1.308 -1.225 0 CA-C-N 114.857 -1.065 . . . . 0.0 109.973 -172.162 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.759 HG12 HD12 ' B' ' 77' ' ' LEU . 85.2 t -64.73 -46.44 92.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-O 121.378 0.609 . . . . 0.0 109.362 176.495 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 58' ' ' MET . . . . . 0.555 ' HG3' ' N ' ' B' ' 59' ' ' LYS . 0.0 OUTLIER -63.11 -34.64 78.04 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.397 178.902 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 59' ' ' LYS . . . . . 0.555 ' N ' ' HG3' ' B' ' 58' ' ' MET . 0.2 OUTLIER -58.78 -43.64 90.49 Favored 'General case' 0 CA--C 1.5 -0.977 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.931 -176.038 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -60.26 -44.46 95.27 Favored 'General case' 0 C--N 1.31 -1.114 0 C-N-CA 120.182 -0.607 . . . . 0.0 109.518 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.774 ' HG ' HD22 ' B' ' 77' ' ' LEU . 3.4 mm? -62.95 -42.81 99.93 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.158 174.568 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.517 ' O ' ' NZ ' ' B' ' 30' ' ' LYS . 13.8 t70 -59.92 -47.19 86.79 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 115.657 -0.702 . . . . 0.0 109.709 -179.401 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -66.6 -51.34 57.46 Favored 'General case' 0 CA--C 1.512 -0.487 0 CA-C-O 121.136 0.493 . . . . 0.0 110.618 178.09 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 64' ' ' ASN . . . . . 0.495 ' O ' ' N ' ' B' ' 66' ' ' ASP . 35.9 m-80 -63.66 -41.87 98.16 Favored 'General case' 0 CA--C 1.5 -0.948 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.265 -176.306 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 65' ' ' GLY . . . . . 0.458 ' HA3' ' CE ' ' B' ' 30' ' ' LYS . . . -68.37 54.61 0.45 Allowed Glycine 0 N--CA 1.444 -0.786 0 N-CA-C 110.701 -0.96 . . . . 0.0 110.701 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.495 ' N ' ' O ' ' B' ' 64' ' ' ASN . 34.4 t70 -60.93 -37.47 82.41 Favored 'General case' 0 CA--C 1.505 -0.77 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 177.38 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -116.16 -68.12 0.41 Allowed Glycine 0 C--N 1.312 -0.76 0 N-CA-C 109.053 -1.619 . . . . 0.0 109.053 172.642 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.448 ' CB ' ' HB3' ' B' ' 27' ' ' LYS . 13.1 mp0 -138.27 165.72 25.99 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.085 0.469 . . . . 0.0 110.882 176.079 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.547 HG21 HD12 ' B' ' 61' ' ' LEU . 1.3 m -111.57 139.14 37.22 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.082 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 173.215 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.455 ' HB3' ' NZ ' ' B' ' 27' ' ' LYS . 0.0 OUTLIER -91.81 177.23 6.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 121.946 -0.471 . . . . 0.0 110.965 -173.213 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.636 ' O ' HG22 ' B' ' 75' ' ' VAL . 58.5 t80 -60.76 -45.05 95.83 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 -178.414 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.435 ' HG3' HG11 ' A' ' 83' ' ' VAL . 25.4 mt-30 -60.88 -38.75 86.73 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.424 175.346 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.442 ' OE1' ' N ' ' B' ' 70' ' ' ASP . 48.0 mt-10 -66.6 -45.06 80.43 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 175.032 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -62.63 -48.51 79.06 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 115.644 -0.707 . . . . 0.0 112.852 -179.474 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.875 HG21 ' CB ' ' A' ' 79' ' ' ALA . 18.0 m -63.02 -42.31 96.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 C-N-CA 120.208 -0.597 . . . . 0.0 112.489 -175.484 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 11.0 p -63.77 -37.48 79.81 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 C-N-CA 120.124 -0.631 . . . . 0.0 110.228 178.802 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.774 HD22 ' HG ' ' B' ' 61' ' ' LEU . 47.2 tp -60.73 -49.21 78.42 Favored 'General case' 0 CA--C 1.511 -0.543 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.887 179.57 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.556 HG12 HD23 ' B' ' 37' ' ' LEU . 17.2 m -67.58 -43.2 87.17 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 C-N-CA 119.485 -0.886 . . . . 0.0 110.504 177.343 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 1.004 ' CB ' HG21 ' A' ' 75' ' ' VAL . . . -63.61 -43.85 95.66 Favored 'General case' 0 CA--C 1.509 -0.612 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.902 -179.606 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 80' ' ' ALA . . . . . 0.651 ' HB3' HG11 ' B' ' 57' ' ' VAL . . . -61.98 -42.49 99.19 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 120.267 -0.573 . . . . 0.0 109.71 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.548 HD22 HG23 ' B' ' 54' ' ' VAL . 96.0 mt -63.73 -40.96 98.02 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 174.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.467 ' HA ' ' CD1' ' B' ' 44' ' ' PHE . 21.1 m -61.32 -49.14 78.2 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.605 176.501 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.531 HG12 ' O ' ' B' ' 80' ' ' ALA . 0.3 OUTLIER -63.29 -40.52 89.37 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 179.768 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.73 -51.73 66.33 Favored 'General case' 0 CA--C 1.519 -0.249 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 177.475 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 85' ' ' MET . . . . . 0.6 ' SD ' ' CD1' ' B' ' 44' ' ' PHE . 26.9 ttt -66.31 -42.28 88.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.256 0.551 . . . . 0.0 110.322 175.725 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 86' ' ' ASN . . . . . 0.525 ' O ' ' N ' ' B' ' 89' ' ' PHE . 17.1 t30 -59.41 -26.33 65.06 Favored 'General case' 0 CA--C 1.501 -0.938 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.847 -174.885 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 35.8 t-20 -47.71 -38.59 15.55 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 177.538 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -59.45 -46.36 88.99 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.872 172.805 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 89' ' ' PHE . . . . . 0.525 ' N ' ' O ' ' B' ' 86' ' ' ASN . 10.2 m-85 . . . . . 0 C--N 1.319 -0.723 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 -172.682 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 m . . . . . 0 C--O 1.239 0.518 0 CA-C-O 120.553 0.216 . . . . 0.0 110.724 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 7' ' ' ALA . 55.9 mp0 -60.65 -41.14 94.38 Favored 'General case' 0 CA--C 1.496 -1.097 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 175.777 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.773 ' CD1' HD23 ' B' ' 11' ' ' LEU . 2.7 mm? -61.75 -42.86 99.53 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-N 114.951 -1.022 . . . . 0.0 108.556 -179.087 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -65.52 -44.31 87.33 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-N 115.072 -0.967 . . . . 0.0 109.242 175.604 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.473 ' O ' ' N ' ' A' ' 10' ' ' THR . 10.8 m -60.98 -45.83 93.21 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.471 177.158 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.595 ' HB1' ' HB1' ' B' ' 7' ' ' ALA . . . -56.74 -48.86 76.85 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.504 179.08 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.487 ' HG2' ' O ' ' A' ' 4' ' ' LEU . 93.2 mmm -64.51 -41.45 96.41 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 -179.62 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 55.8 mm-40 -62.93 -36.67 84.17 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.802 174.596 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.473 ' N ' ' O ' ' A' ' 6' ' ' THR . 7.4 m -59.97 -45.02 94.04 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 176.728 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.68 HD23 HD22 ' B' ' 4' ' ' LEU . 85.2 mt -62.69 -39.81 95.13 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.149 177.228 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.46 HD13 ' CD1' ' A' ' 71' ' ' PHE . 19.5 mm -61.44 -43.84 97.47 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.777 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 -178.798 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 30.3 m-80 -59.83 -44.23 94.17 Favored 'General case' 0 C--N 1.313 -0.993 0 C-N-CA 120.206 -0.598 . . . . 0.0 110.365 -176.161 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 1.064 HG21 HD11 ' B' ' 4' ' ' LEU . 99.2 t -64.38 -48.65 84.37 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 C-N-CA 120.289 -0.564 . . . . 0.0 110.325 175.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.424 ' CE1' ' HB2' ' A' ' 28' ' ' LEU . 68.3 t80 -59.79 -48.26 82.39 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.663 0.744 . . . . 0.0 109.611 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.612 ' ND1' ' O ' ' A' ' 25' ' ' LYS . 5.2 t60 -61.55 -45.53 93.78 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 114.534 -1.212 . . . . 0.0 110.145 178.266 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.93 -49.51 76.52 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.511 178.344 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 66.4 m-70 -65.54 -37.8 87.78 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.071 177.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.499 ' HB3' ' H ' ' A' ' 27' ' ' LYS . 25.3 m -54.09 -44.02 70.86 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 178.457 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.46 -34.98 91.05 Favored Glycine 0 N--CA 1.444 -0.799 0 N-CA-C 110.671 -0.972 . . . . 0.0 110.671 177.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -63.09 -47.03 84.62 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 179.316 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.551 ' CD ' ' H ' ' A' ' 29' ' ' SER . 99.3 mt-10 -70.66 -40.75 72.81 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.481 -0.488 . . . . 0.0 110.551 177.341 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 146.33 -27.45 1.68 Allowed Glycine 0 CA--C 1.529 0.95 0 C-N-CA 121.145 -0.55 . . . . 0.0 112.69 176.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -75.75 152.41 37.41 Favored 'General case' 0 C--N 1.32 -0.716 0 O-C-N 122.196 -0.591 . . . . 0.0 110.879 -177.792 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.612 ' O ' ' ND1' ' A' ' 16' ' ' HIS . 0.0 OUTLIER -66.05 -45.14 82.45 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 171.973 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.409 ' O ' ' HG2' ' A' ' 27' ' ' LYS . 14.1 p90 -150.01 92.5 1.9 Allowed 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.463 172.146 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.499 ' H ' ' HB3' ' A' ' 19' ' ' SER . 3.4 mmmm -161.52 154.06 20.23 Favored 'General case' 0 CA--C 1.498 -1.026 0 N-CA-C 106.332 -1.729 . . . . 0.0 106.332 167.662 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.695 HD11 ' HB2' ' A' ' 32' ' ' GLU . 31.6 tp -131.27 141.21 49.95 Favored 'General case' 0 C--N 1.3 -1.583 0 C-N-CA 120.013 -0.675 . . . . 0.0 110.031 179.48 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.551 ' H ' ' CD ' ' A' ' 22' ' ' GLU . 3.1 m -104.26 158.44 16.45 Favored 'General case' 0 C--N 1.308 -1.214 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 176.359 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.524 ' CE ' ' HB ' ' A' ' 69' ' ' VAL . 2.4 mmtm -67.73 -7.09 24.41 Favored 'General case' 0 C--N 1.314 -0.969 0 C-N-CA 119.598 -0.841 . . . . 0.0 112.343 -172.313 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.466 ' HD2' ' HG2' ' A' ' 22' ' ' GLU . 1.6 ptpm? -66.58 -51.99 50.42 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.768 0.318 . . . . 0.0 110.557 176.418 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.695 ' HB2' HD11 ' A' ' 28' ' ' LEU . 71.5 mm-40 -70.44 -35.86 73.61 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.435 176.464 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.875 HD11 ' CD2' ' A' ' 77' ' ' LEU . 3.4 tm? -58.2 -44.17 87.95 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.23 -170.232 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -62.71 -45.51 92.43 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 119.656 -0.818 . . . . 0.0 110.152 178.577 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.44 ' O ' ' OG1' ' A' ' 39' ' ' THR . 98.7 mt-10 -67.28 -42.9 83.04 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.664 0.745 . . . . 0.0 109.622 178.678 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 32' ' ' GLU . 31.1 tp -61.0 -48.48 81.61 Favored 'General case' 0 C--N 1.305 -1.342 0 CA-C-N 114.631 -1.168 . . . . 0.0 112.005 -179.663 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.651 HD12 HD21 ' A' ' 77' ' ' LEU . 0.1 OUTLIER -62.43 -49.81 73.98 Favored 'General case' 0 C--N 1.318 -0.765 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.824 -176.174 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.436 ' HA ' HD22 ' A' ' 45' ' ' LEU . 16.0 pt20 -64.4 -41.89 96.39 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.199 0.523 . . . . 0.0 110.724 179.231 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.44 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 79.5 m -62.67 -52.06 64.8 Favored 'General case' 0 N--CA 1.439 -1.001 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.703 -177.896 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -76.46 -39.1 54.26 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 120.04 -0.664 . . . . 0.0 112.718 -176.279 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.8 mp -99.95 40.49 1.23 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.435 0.16 . . . . 0.0 110.958 -179.486 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 51.3 m -59.42 -40.93 88.3 Favored 'General case' 0 C--N 1.315 -0.919 0 C-N-CA 119.196 -1.001 . . . . 0.0 111.015 -178.04 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.06 -43.6 95.5 Favored Glycine 0 CA--C 1.527 0.825 0 N-CA-C 111.312 -0.715 . . . . 0.0 111.312 177.435 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -68.87 -43.24 75.77 Favored 'General case' 0 CA--C 1.509 -0.627 0 CA-C-O 121.059 0.457 . . . . 0.0 110.407 176.542 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.436 HD22 ' HA ' ' A' ' 38' ' ' GLN . 46.7 tp -60.95 -42.99 99.32 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.207 175.55 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.539 ' OD1' ' NZ ' ' A' ' 49' ' ' LYS . 30.3 t70 -61.55 -38.04 86.0 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.924 176.651 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.22 -43.31 70.92 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.685 179.235 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.541 ' O ' HG11 ' A' ' 54' ' ' VAL . 0.0 OUTLIER -115.31 58.23 0.72 Allowed 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 120.658 0.266 . . . . 0.0 111.281 -179.248 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.539 ' NZ ' ' OD1' ' A' ' 46' ' ' ASP . 50.4 mttp -65.23 -44.27 88.8 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 121.046 0.451 . . . . 0.0 109.907 178.804 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -113.88 2.36 15.06 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.196 -0.911 . . . . 0.0 113.277 -172.376 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.804 ' O ' HG12 ' A' ' 54' ' ' VAL . 62.9 t -59.8 137.37 22.31 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.895 0 C-N-CA 120.323 -0.551 . . . . 0.0 110.102 -178.559 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -55.62 -44.45 77.08 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.215 0.531 . . . . 0.0 110.108 -177.672 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.59 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -58.83 -39.51 81.45 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.539 -0.755 . . . . 0.0 112.243 -176.167 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.804 HG12 ' O ' ' A' ' 51' ' ' VAL . 7.6 p -59.07 -45.11 92.65 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 C-N-CA 119.018 -1.073 . . . . 0.0 111.511 -175.214 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.487 ' O ' ' N ' ' A' ' 59' ' ' LYS . 28.6 t70 -61.52 -42.83 99.4 Favored 'General case' 0 CA--C 1.496 -1.118 0 C-N-CA 119.781 -0.768 . . . . 0.0 109.727 177.737 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.1 mmtp -63.03 -43.42 98.76 Favored 'General case' 0 C--N 1.318 -0.79 0 C-N-CA 120.347 -0.541 . . . . 0.0 109.86 -178.47 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.722 HG12 HD12 ' A' ' 77' ' ' LEU . 80.1 t -64.48 -43.98 96.94 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.917 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 178.798 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 19.7 mmm -61.09 -40.6 94.34 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 176.224 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.532 ' O ' ' HG2' ' A' ' 63' ' ' GLU . 22.7 tptp -65.96 -46.49 77.92 Favored 'General case' 0 N--CA 1.434 -1.266 0 CA-C-N 114.861 -1.063 . . . . 0.0 110.224 -176.374 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -58.98 -40.71 85.63 Favored 'General case' 0 CA--C 1.516 -0.351 0 C-N-CA 119.924 -0.71 . . . . 0.0 111.013 179.112 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.74 ' HG ' HD13 ' A' ' 77' ' ' LEU . 1.7 mm? -62.13 -41.4 98.22 Favored 'General case' 0 C--N 1.313 -0.993 0 C-N-CA 119.854 -0.738 . . . . 0.0 109.29 174.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -65.26 -41.55 94.17 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.346 176.058 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.532 ' HG2' ' O ' ' A' ' 59' ' ' LYS . 64.3 mm-40 -61.04 -41.26 96.24 Favored 'General case' 0 CA--C 1.513 -0.442 0 N-CA-C 107.385 -1.339 . . . . 0.0 107.385 176.323 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.434 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . 12.0 t-20 -86.62 30.94 0.69 Allowed 'General case' 0 N--CA 1.443 -0.79 0 CA-C-N 114.946 -1.025 . . . . 0.0 110.366 174.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.418 ' HA2' ' HG3' ' A' ' 30' ' ' LYS . . . -94.03 20.39 47.8 Favored Glycine 0 N--CA 1.461 0.308 0 N-CA-C 109.024 -1.63 . . . . 0.0 109.024 176.77 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -60.46 -44.65 95.67 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.062 -0.569 . . . . 0.0 110.465 -175.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -125.52 -76.99 0.27 Allowed Glycine 0 C--O 1.241 0.534 0 N-CA-C 111.521 -0.632 . . . . 0.0 111.521 -178.4 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.475 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 2.1 mp0 -139.15 -163.45 1.48 Allowed 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 -179.031 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.686 HG23 ' HB2' ' A' ' 73' ' ' GLU . 1.8 p -133.7 129.8 55.58 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.232 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 170.111 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.0 -176.74 3.33 Favored 'General case' 0 C--N 1.31 -1.115 0 C-N-CA 119.988 -0.685 . . . . 0.0 111.003 -178.509 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.528 ' O ' HG13 ' A' ' 75' ' ' VAL . 53.1 t80 -60.54 -43.35 97.27 Favored 'General case' 0 C--N 1.302 -1.457 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.714 179.761 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -60.86 -43.55 98.23 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.026 179.268 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.686 ' HB2' HG23 ' A' ' 69' ' ' VAL . 82.4 mt-10 -65.38 -40.72 93.86 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 119.87 -0.732 . . . . 0.0 109.727 174.691 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.457 ' OH ' HD13 ' B' ' 4' ' ' LEU . 32.7 t80 -60.76 -48.63 80.91 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.008 -178.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.768 HG21 ' CB ' ' B' ' 79' ' ' ALA . 5.4 m -65.32 -42.89 94.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 C-N-CA 119.5 -0.88 . . . . 0.0 111.625 178.375 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.443 HG12 ' O ' ' A' ' 73' ' ' GLU . 0.8 OUTLIER -64.07 -39.49 85.65 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 C-N-CA 120.335 -0.546 . . . . 0.0 110.096 -177.968 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.875 ' CD2' HD11 ' A' ' 33' ' ' LEU . 49.8 tp -61.2 -49.55 76.72 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.953 178.686 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 17.1 m -70.89 -42.91 77.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 C-N-CA 119.835 -0.746 . . . . 0.0 110.878 177.522 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.878 ' CB ' HG21 ' B' ' 75' ' ' VAL . . . -61.08 -46.12 91.96 Favored 'General case' 0 CA--C 1.503 -0.85 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.086 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -54.75 -48.7 72.27 Favored 'General case' 0 CA--C 1.511 -0.545 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.484 HD11 HD11 ' A' ' 37' ' ' LEU . 95.7 mt -63.25 -41.31 99.05 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.896 175.747 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 16.3 m -61.72 -50.48 72.27 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.56 -0.456 . . . . 0.0 110.495 -179.441 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.474 HG11 ' HG3' ' B' ' 72' ' ' GLN . 10.7 p -63.7 -43.64 98.13 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 C-N-CA 120.174 -0.61 . . . . 0.0 110.263 177.714 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.88 -49.09 79.07 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.283 176.352 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 9.5 tpt -67.89 -46.15 72.44 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.535 -0.466 . . . . 0.0 111.125 178.648 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.452 ' HA ' ' CD2' ' A' ' 89' ' ' PHE . 2.8 m-80 -61.36 -27.72 68.71 Favored 'General case' 0 CA--C 1.503 -0.86 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.376 -179.514 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.403 ' OD1' ' CE2' ' B' ' 26' ' ' TYR . 37.8 t30 -57.94 -40.06 79.56 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 177.206 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -63.19 -39.49 94.8 Favored 'General case' 0 C--O 1.22 -0.454 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.663 174.79 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.452 ' CD2' ' HA ' ' A' ' 86' ' ' ASN . 14.0 m-30 -55.49 -51.18 67.84 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.871 -175.721 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 44.5 m95 . . . . . 0 C--N 1.31 -1.141 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.337 -176.97 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 2' ' ' SER . . . . . 0.432 ' O ' ' N ' ' B' ' 5' ' ' GLU . 4.0 m . . . . . 0 N--CA 1.445 -0.718 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 3' ' ' GLU . . . . . 0.438 ' OE1' ' N ' ' B' ' 3' ' ' GLU . 3.2 mp0 -53.15 -28.0 23.95 Favored 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 179.515 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 1.064 HD11 HG21 ' A' ' 14' ' ' VAL . 41.2 mt -62.25 -41.68 98.65 Favored 'General case' 0 N--CA 1.439 -0.976 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.387 176.441 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 5' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' B' ' 2' ' ' SER . 47.3 mt-10 -62.76 -42.99 99.94 Favored 'General case' 0 N--CA 1.443 -0.808 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 177.82 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 6' ' ' THR . . . . . 0.409 ' O ' ' N ' ' B' ' 10' ' ' THR . 7.0 m -61.92 -45.08 95.27 Favored 'General case' 0 C--O 1.242 0.685 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 172.867 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.595 ' HB1' ' HB1' ' A' ' 7' ' ' ALA . . . -58.0 -45.76 86.31 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.923 179.454 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 8' ' ' MET . . . . . 0.512 ' SD ' HD12 ' B' ' 11' ' ' LEU . 94.8 mmm -64.13 -40.98 97.34 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.943 -0.392 . . . . 0.0 109.943 178.348 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.82 -37.87 89.07 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 119.745 -0.782 . . . . 0.0 109.624 174.708 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.409 ' N ' ' O ' ' B' ' 6' ' ' THR . 10.1 m -59.39 -43.38 92.94 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 175.797 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.773 HD23 ' CD1' ' A' ' 4' ' ' LEU . 84.2 mt -62.11 -41.74 98.53 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.92 174.766 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 23.4 mm -62.15 -43.79 98.27 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.633 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 179.19 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 40.0 m-80 -60.16 -44.05 95.32 Favored 'General case' 0 CA--C 1.505 -0.758 0 C-N-CA 120.435 -0.506 . . . . 0.0 111.387 -173.529 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.543 HG21 HD21 ' A' ' 4' ' ' LEU . 93.1 t -63.76 -48.84 84.65 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.914 0 C-N-CA 119.975 -0.69 . . . . 0.0 109.688 175.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.516 ' CE1' ' HB2' ' B' ' 28' ' ' LEU . 70.1 t80 -59.89 -49.55 77.27 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.236 179.465 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.481 ' ND1' ' O ' ' B' ' 25' ' ' LYS . 23.5 t60 -67.08 -42.76 84.11 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.97 178.284 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.491 ' O ' ' HG2' ' B' ' 21' ' ' LYS . . . -60.17 -49.43 77.67 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 176.612 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 78.8 m-70 -64.88 -35.15 80.2 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.862 176.306 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 21.9 m -56.51 -44.48 80.76 Favored 'General case' 0 C--O 1.243 0.721 0 N-CA-C 107.508 -1.293 . . . . 0.0 107.508 172.713 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.78 -41.26 99.88 Favored Glycine 0 C--O 1.242 0.594 0 CA-C-N 114.802 -1.09 . . . . 0.0 110.777 176.023 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 21' ' ' LYS . . . . . 0.491 ' HG2' ' O ' ' B' ' 17' ' ' ALA . 74.5 mmtt -61.99 -47.2 85.85 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.622 -0.511 . . . . 0.0 109.622 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.579 ' CD ' ' H ' ' B' ' 29' ' ' SER . 98.8 mt-10 -72.87 -48.95 33.1 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.857 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 158.01 -45.55 0.47 Allowed Glycine 0 CA--C 1.532 1.108 0 C-N-CA 120.346 -0.931 . . . . 0.0 113.157 -178.067 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -66.42 147.28 53.53 Favored 'General case' 0 N--CA 1.478 0.966 0 CA-C-N 117.671 0.736 . . . . 0.0 111.153 -176.563 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.544 ' NZ ' ' CZ ' ' B' ' 26' ' ' TYR . 16.2 pttp -63.48 -37.39 87.11 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 120.518 -0.473 . . . . 0.0 110.072 176.282 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.544 ' CZ ' ' NZ ' ' B' ' 25' ' ' LYS . 2.8 p90 -158.23 92.04 1.14 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.064 169.57 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.515 ' HG2' ' O ' ' B' ' 26' ' ' TYR . 6.5 mmmm -163.7 157.4 19.13 Favored 'General case' 0 CA--C 1.495 -1.173 0 N-CA-C 106.159 -1.793 . . . . 0.0 106.159 168.134 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.516 ' HB2' ' CE1' ' B' ' 15' ' ' PHE . 38.5 tp -123.55 135.58 54.08 Favored 'General case' 0 C--N 1.292 -1.926 0 C-N-CA 119.987 -0.685 . . . . 0.0 109.847 -179.463 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.579 ' H ' ' CD ' ' B' ' 22' ' ' GLU . 2.1 m -102.54 177.47 4.85 Favored 'General case' 0 C--N 1.294 -1.838 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 178.756 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.408 ' HZ2' ' HG3' ' B' ' 30' ' ' LYS . 0.0 OUTLIER -76.03 -3.56 36.44 Favored 'General case' 0 C--N 1.304 -1.37 0 C-N-CA 120.047 -0.661 . . . . 0.0 109.312 177.296 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.437 ' HG3' ' HB2' ' B' ' 29' ' ' SER . 61.8 mttm -61.29 -45.35 94.84 Favored 'General case' 0 CA--C 1.51 -0.593 0 N-CA-C 108.183 -1.044 . . . . 0.0 108.183 -178.158 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.497 ' HB2' HD11 ' B' ' 28' ' ' LEU . 63.3 mm-40 -111.32 -28.94 8.01 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-N 114.236 -1.347 . . . . 0.0 111.559 -173.846 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.619 HD21 HD23 ' B' ' 77' ' ' LEU . 2.3 tm? -57.91 -50.75 72.28 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.517 -0.473 . . . . 0.0 111.63 -170.341 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 17.2 pttp -68.16 -39.67 82.52 Favored 'General case' 0 C--N 1.315 -0.928 0 C-N-CA 119.869 -0.733 . . . . 0.0 110.655 178.829 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -67.87 -43.88 78.36 Favored 'General case' 0 C--O 1.24 0.579 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.67 -179.405 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.603 HD12 ' C ' ' B' ' 36' ' ' LEU . 0.5 OUTLIER -78.91 -38.32 37.74 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.053 -0.522 . . . . 0.0 112.202 -178.221 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.679 HD21 HD22 ' B' ' 41' ' ' LEU . 2.3 tm? -59.62 -46.27 89.47 Favored 'General case' 0 CA--C 1.512 -0.484 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.005 -176.162 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.65 ' HB2' HD22 ' B' ' 45' ' ' LEU . 15.1 pt20 -63.07 -41.84 99.54 Favored 'General case' 0 C--N 1.316 -0.869 0 C-N-CA 119.921 -0.712 . . . . 0.0 109.468 175.443 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.459 ' N ' ' HG3' ' B' ' 38' ' ' GLN . 93.1 m -65.44 -53.16 46.79 Favored 'General case' 0 N--CA 1.437 -1.083 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.85 -176.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -69.78 -41.61 74.9 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -177.565 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.679 HD22 HD21 ' B' ' 37' ' ' LEU . 11.1 mp -95.45 37.57 1.18 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.13 0.491 . . . . 0.0 110.133 179.601 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -55.91 -34.56 65.69 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.652 -0.703 . . . . 0.0 111.569 -177.537 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.31 -51.8 35.47 Favored Glycine 0 C--O 1.242 0.648 0 N-CA-C 110.75 -0.94 . . . . 0.0 110.75 176.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.493 ' O ' ' HG2' ' B' ' 48' ' ' GLN . 44.2 m-85 -65.79 -41.58 91.8 Favored 'General case' 0 CA--C 1.494 -1.21 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 177.226 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.658 ' O ' HD12 ' B' ' 45' ' ' LEU . 1.4 tp -54.32 -46.54 72.87 Favored 'General case' 0 CA--C 1.499 -0.987 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.303 -177.269 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.59 ' O ' ' NZ ' ' B' ' 49' ' ' LYS . 13.0 t70 -60.79 -45.22 95.23 Favored 'General case' 0 C--N 1.3 -1.575 0 C-N-CA 119.852 -0.739 . . . . 0.0 111.022 176.167 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.37 -39.74 92.66 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 -179.466 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.605 ' NE2' HD22 ' B' ' 81' ' ' LEU . 0.0 OUTLIER -78.85 -5.95 54.81 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 -174.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.59 ' NZ ' ' O ' ' B' ' 46' ' ' ASP . 5.6 mtmp? -58.49 -41.62 85.73 Favored 'General case' 0 CA--C 1.516 -0.346 0 C-N-CA 119.538 -0.865 . . . . 0.0 109.953 -177.238 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -95.18 16.37 16.7 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.764 -177.653 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 51' ' ' VAL . . . . . 0.565 ' C ' ' H ' ' B' ' 53' ' ' ALA . 22.7 t -109.38 -15.56 9.48 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 N-CA-C 111.853 0.316 . . . . 0.0 111.853 -177.531 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 30.0 t70 59.05 -23.3 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 -178.854 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.565 ' H ' ' C ' ' B' ' 51' ' ' VAL . . . -51.87 -35.64 45.71 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-O 120.809 0.337 . . . . 0.0 110.57 -178.638 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.486 ' HA ' HD21 ' B' ' 81' ' ' LEU . 7.1 p -60.3 -40.09 82.8 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.406 178.632 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' B' ' 59' ' ' LYS . 33.2 t70 -57.41 -48.32 79.41 Favored 'General case' 0 CA--C 1.513 -0.467 0 C-N-CA 120.093 -0.643 . . . . 0.0 110.45 179.594 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.49 -43.55 96.92 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.998 179.689 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.518 HG12 HD12 ' B' ' 77' ' ' LEU . 95.4 t -63.83 -46.45 94.31 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.654 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 178.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 62.7 ttp -60.31 -43.3 96.47 Favored 'General case' 0 N--CA 1.429 -1.479 0 CA-C-N 114.819 -1.082 . . . . 0.0 109.853 175.209 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 59' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' B' ' 55' ' ' ASP . 14.0 tptp -62.71 -45.58 92.09 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.006 -178.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -69.54 -43.89 72.05 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.554 178.75 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.408 HD11 HG23 ' B' ' 76' ' ' VAL . 3.0 mm? -64.88 -38.58 91.45 Favored 'General case' 0 C--O 1.24 0.596 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.503 178.537 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -57.06 -29.72 63.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.21 -177.158 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -54.58 -58.36 7.79 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 177.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 64' ' ' ASN . . . . . 0.492 ' C ' ' H ' ' B' ' 66' ' ' ASP . 80.3 m-20 -64.42 -40.95 96.76 Favored 'General case' 0 CA--C 1.504 -0.789 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.237 175.01 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -69.23 39.04 0.33 Allowed Glycine 0 C--N 1.32 -0.318 0 N-CA-C 111.32 -0.712 . . . . 0.0 111.32 -178.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.492 ' H ' ' C ' ' B' ' 64' ' ' ASN . 35.3 t70 -61.74 -42.35 98.85 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 177.833 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -134.17 -72.61 0.08 OUTLIER Glycine 0 C--N 1.317 -0.479 0 N-CA-C 109.475 -1.45 . . . . 0.0 109.475 176.216 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -91.44 152.63 20.3 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.81 0.338 . . . . 0.0 110.827 176.601 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.54 HG23 ' HB3' ' B' ' 73' ' ' GLU . 1.7 p -127.22 125.86 66.87 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 N-CA-C 107.221 -1.399 . . . . 0.0 107.221 168.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.5 ' CG ' ' N ' ' B' ' 71' ' ' PHE . 14.4 t70 -91.21 172.63 8.42 Favored 'General case' 0 C--N 1.308 -1.201 0 C-N-CA 120.117 -0.633 . . . . 0.0 111.428 -171.815 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.595 ' O ' HG22 ' B' ' 75' ' ' VAL . 52.7 t80 -59.39 -43.41 92.94 Favored 'General case' 0 C--N 1.314 -0.955 0 N-CA-C 108.45 -0.945 . . . . 0.0 108.45 -179.72 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.474 ' HG3' HG11 ' A' ' 83' ' ' VAL . 34.5 mt-30 -59.1 -38.34 79.29 Favored 'General case' 0 N--CA 1.437 -1.076 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.144 175.346 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.54 ' HB3' HG23 ' B' ' 69' ' ' VAL . 62.4 mm-40 -69.66 -42.71 73.83 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.62 0.724 . . . . 0.0 110.04 173.883 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 33.9 t80 -61.38 -47.18 87.0 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.188 -0.914 . . . . 0.0 111.803 -177.336 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.878 HG21 ' CB ' ' A' ' 79' ' ' ALA . 18.0 m -64.68 -41.36 92.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 C-N-CA 120.25 -0.58 . . . . 0.0 111.741 -178.324 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.424 HG22 ' O ' ' B' ' 73' ' ' GLU . 23.6 m -65.79 -37.43 79.9 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.111 0 C-N-CA 120.245 -0.582 . . . . 0.0 111.073 178.282 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.619 HD23 HD21 ' B' ' 33' ' ' LEU . 48.3 tp -60.83 -48.81 80.09 Favored 'General case' 0 CA--C 1.511 -0.521 0 C-N-CA 120.15 -0.62 . . . . 0.0 110.08 178.666 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.478 ' HB ' HD21 ' B' ' 41' ' ' LEU . 13.9 m -70.25 -42.25 78.87 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.7 0 C-N-CA 120.023 -0.671 . . . . 0.0 111.295 176.757 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.768 ' CB ' HG21 ' A' ' 75' ' ' VAL . . . -64.32 -42.62 96.21 Favored 'General case' 0 CA--C 1.503 -0.861 0 C-N-CA 120.606 -0.438 . . . . 0.0 111.195 179.576 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 80' ' ' ALA . . . . . 0.405 ' O ' HG12 ' B' ' 83' ' ' VAL . . . -59.43 -44.61 92.86 Favored 'General case' 0 N--CA 1.444 -0.759 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 179.549 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.605 HD22 ' NE2' ' B' ' 48' ' ' GLN . 99.6 mt -62.88 -43.18 99.49 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.426 175.122 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.428 ' O ' ' HB2' ' B' ' 86' ' ' ASN . 17.6 m -63.03 -49.68 73.66 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.728 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.405 HG12 ' O ' ' B' ' 80' ' ' ALA . 1.6 p -64.01 -44.31 97.81 Favored 'Isoleucine or valine' 0 C--O 1.238 0.475 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.772 -179.472 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -58.82 -52.41 65.83 Favored 'General case' 0 C--O 1.238 0.473 0 C-N-CA 120.709 -0.397 . . . . 0.0 110.262 178.074 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 85' ' ' MET . . . . . 0.426 ' SD ' HG21 ' B' ' 51' ' ' VAL . 94.5 mmm -65.31 -41.7 93.77 Favored 'General case' 0 CA--C 1.515 -0.382 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.788 178.033 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 86' ' ' ASN . . . . . 0.462 ' HA ' ' HB2' ' B' ' 89' ' ' PHE . 10.8 m-80 -62.18 -41.05 97.96 Favored 'General case' 0 CA--C 1.495 -1.142 0 C-N-CA 120.452 -0.499 . . . . 0.0 111.85 178.132 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 87' ' ' ASN . . . . . 0.409 ' HA ' ' CE2' ' A' ' 26' ' ' TYR . 14.5 t-20 -56.67 -43.61 80.58 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 119.31 -0.956 . . . . 0.0 109.085 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -67.75 -41.69 82.98 Favored 'General case' 0 C--O 1.219 -0.507 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.906 173.685 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 89' ' ' PHE . . . . . 0.462 ' HB2' ' HA ' ' B' ' 86' ' ' ASN . 3.9 t80 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.683 -170.151 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.248 0.995 0 CA-C-O 120.838 0.352 . . . . 0.0 110.741 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 54.5 mp0 -58.09 -38.27 76.1 Favored 'General case' 0 C--N 1.313 -1.017 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 176.021 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.899 HD21 HG21 ' B' ' 14' ' ' VAL . 1.2 mm? -60.55 -45.39 94.06 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 178.458 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.469 ' HG2' ' CD2' ' B' ' 44' ' ' PHE . 95.3 mt-10 -65.76 -41.12 92.49 Favored 'General case' 0 C--N 1.316 -0.884 0 C-N-CA 119.756 -0.778 . . . . 0.0 109.31 176.485 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.2 m -62.47 -48.95 77.38 Favored 'General case' 0 C--O 1.245 0.848 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.396 177.686 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.82 -48.55 81.31 Favored 'General case' 0 CA--C 1.509 -0.629 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 178.454 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.563 ' HG2' ' O ' ' A' ' 4' ' ' LEU . 96.5 mmm -63.56 -40.41 96.91 Favored 'General case' 0 N--CA 1.444 -0.772 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.536 -179.804 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -62.5 -35.99 81.1 Favored 'General case' 0 C--O 1.241 0.647 0 C-N-CA 120.108 -0.637 . . . . 0.0 111.2 174.194 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 17.4 m -57.49 -44.43 84.92 Favored 'General case' 0 C--N 1.312 -1.053 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 176.655 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 1.055 HD23 HD22 ' B' ' 4' ' ' LEU . 90.0 mt -63.95 -40.83 97.33 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.88 174.455 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.456 HD13 ' CD1' ' A' ' 71' ' ' PHE . 20.7 mm -62.21 -43.74 98.28 Favored 'Isoleucine or valine' 0 C--O 1.237 0.401 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 -179.493 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 66.1 m-20 -61.08 -43.15 99.32 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.973 -176.044 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 1.029 HG21 HD11 ' B' ' 4' ' ' LEU . 86.1 t -65.33 -43.24 95.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.462 175.305 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.561 ' CE1' ' HB2' ' A' ' 28' ' ' LEU . 62.6 t80 -56.92 -48.07 79.13 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.506 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -59.84 -44.45 94.08 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-N 116.258 -0.428 . . . . 0.0 112.117 176.693 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.88 -47.9 76.53 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 -179.178 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.531 ' NE2' ' HB2' ' A' ' 36' ' ' LEU . 89.8 m-70 -68.87 -37.05 78.8 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.902 177.316 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 74.1 m -54.88 -40.93 70.26 Favored 'General case' 0 C--O 1.242 0.71 0 N-CA-C 108.307 -0.998 . . . . 0.0 108.307 173.235 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.55 -42.62 97.8 Favored Glycine 0 N--CA 1.45 -0.406 0 N-CA-C 109.932 -1.267 . . . . 0.0 109.932 174.743 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 60.3 mttm -67.75 -45.57 74.56 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 120.604 0.24 . . . . 0.0 111.37 179.348 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.43 ' OE2' ' N ' ' A' ' 24' ' ' ASP . 0.0 OUTLIER -68.91 -37.24 78.82 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.92 -175.575 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 125.23 -30.44 4.54 Favored Glycine 0 N--CA 1.467 0.757 0 CA-C-N 116.35 -0.386 . . . . 0.0 113.046 175.507 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.43 ' N ' ' OE2' ' A' ' 22' ' ' GLU . 16.8 t70 -66.85 153.35 43.65 Favored 'General case' 0 CA--C 1.509 -0.621 0 CA-C-N 117.374 0.587 . . . . 0.0 111.434 -177.333 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.427 ' HD2' ' CE2' ' A' ' 26' ' ' TYR . 32.1 pttt -57.55 -44.49 85.25 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.054 177.059 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.427 ' CE2' ' HD2' ' A' ' 25' ' ' LYS . 4.3 p90 -158.54 92.69 1.15 Allowed 'General case' 0 C--N 1.315 -0.9 0 CA-C-O 121.646 0.736 . . . . 0.0 110.289 171.819 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.416 ' HG2' ' O ' ' A' ' 26' ' ' TYR . 36.0 mmtm -160.58 164.83 31.65 Favored 'General case' 0 C--N 1.307 -1.266 0 CA-C-N 114.044 -1.435 . . . . 0.0 108.259 174.544 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.561 ' HB2' ' CE1' ' A' ' 15' ' ' PHE . 36.0 tp -124.37 129.1 50.09 Favored 'General case' 0 C--N 1.294 -1.825 0 N-CA-C 107.575 -1.268 . . . . 0.0 107.575 173.383 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 94.7 p -82.9 165.2 19.95 Favored 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 178.149 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.681 ' HD2' HG12 ' A' ' 69' ' ' VAL . 0.0 OUTLIER -74.85 -6.12 47.33 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 117.913 -1.515 . . . . 0.0 108.51 178.712 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 25.0 mttm -71.46 -59.01 2.99 Favored 'General case' 0 CA--C 1.516 -0.339 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 177.653 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -65.94 -39.42 90.46 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 114.652 -1.158 . . . . 0.0 110.003 179.437 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.989 HD11 HD22 ' A' ' 77' ' ' LEU . 2.2 tm? -60.01 -47.73 84.64 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.621 -174.594 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.51 ' NZ ' ' OD2' ' A' ' 62' ' ' ASP . 4.6 mmmm -67.23 -43.86 80.93 Favored 'General case' 0 C--N 1.312 -1.044 0 C-N-CA 120.209 -0.597 . . . . 0.0 111.384 178.475 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.425 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 68.3 mm-40 -72.13 -43.8 64.14 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.404 -177.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.591 ' C ' HD12 ' A' ' 36' ' ' LEU . 0.3 OUTLIER -66.89 -40.72 87.83 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.457 -0.497 . . . . 0.0 111.867 179.575 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.722 HD23 HG12 ' A' ' 78' ' ' VAL . 2.0 tm? -60.1 -47.73 84.67 Favored 'General case' 0 CA--C 1.511 -0.523 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.61 -175.404 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.461 ' HA ' HD22 ' A' ' 45' ' ' LEU . 13.3 pt20 -64.84 -42.55 94.82 Favored 'General case' 0 C--N 1.309 -1.157 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.878 176.218 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 96.3 m -63.6 -52.58 60.31 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.823 -177.661 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.638 ' HB3' HD12 ' B' ' 4' ' ' LEU . 69.7 mm-40 -73.1 -38.43 66.35 Favored 'General case' 0 N--CA 1.465 0.275 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -175.346 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.407 ' N ' HD12 ' A' ' 41' ' ' LEU . 10.8 mp -103.73 40.2 1.47 Allowed 'General case' 0 C--O 1.24 0.595 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.575 -175.75 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -55.82 -39.37 71.28 Favored 'General case' 0 C--N 1.307 -1.266 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.865 -176.878 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.38 -46.44 86.16 Favored Glycine 0 N--CA 1.449 -0.442 0 N-CA-C 111.368 -0.693 . . . . 0.0 111.368 178.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.646 ' HA ' ' SD ' ' A' ' 85' ' ' MET . 32.9 m-85 -66.0 -43.36 87.93 Favored 'General case' 0 CA--C 1.496 -1.122 0 CA-C-O 121.382 0.61 . . . . 0.0 109.624 176.095 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.461 HD22 ' HA ' ' A' ' 38' ' ' GLN . 22.3 tp -61.21 -48.38 81.79 Favored 'General case' 0 N--CA 1.429 -1.51 0 CA-C-N 114.99 -1.005 . . . . 0.0 110.877 176.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.402 ' N ' ' O ' ' A' ' 42' ' ' SER . 7.2 m-20 -66.4 -39.53 89.09 Favored 'General case' 0 C--N 1.312 -1.055 0 N-CA-C 112.57 0.582 . . . . 0.0 112.57 177.669 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.825 ' HB3' ' SD ' ' A' ' 85' ' ' MET . . . -56.83 -45.97 82.01 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.905 0.383 . . . . 0.0 110.913 -175.751 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.54 ' HB2' ' HB ' ' A' ' 51' ' ' VAL . 1.0 OUTLIER -116.58 40.87 2.81 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 121.233 0.54 . . . . 0.0 109.554 177.516 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.5 tttp -61.53 -43.21 99.28 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 -175.449 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 59.7 m-20 -93.43 -0.16 56.57 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 114.332 -1.304 . . . . 0.0 112.345 -176.508 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.773 ' O ' HG12 ' A' ' 54' ' ' VAL . 61.7 t -84.59 133.03 30.19 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.545 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 -178.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -54.78 -32.77 60.54 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -176.097 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.473 ' H ' HG12 ' A' ' 51' ' ' VAL . . . -53.49 -37.04 62.34 Favored 'General case' 0 C--N 1.317 -0.805 0 C-N-CA 120.98 -0.288 . . . . 0.0 111.324 -176.632 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.773 HG12 ' O ' ' A' ' 51' ' ' VAL . 8.3 p -61.43 -36.67 74.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 C-N-CA 120.611 -0.435 . . . . 0.0 109.922 -178.585 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -59.02 -44.12 91.66 Favored 'General case' 0 CA--C 1.5 -0.956 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 177.606 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -63.48 -44.75 93.5 Favored 'General case' 0 CA--C 1.489 -1.376 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.31 -177.548 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.766 HG11 ' HG ' ' A' ' 81' ' ' LEU . 99.8 t -61.73 -45.27 99.05 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.244 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 179.431 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 13.9 mmm -63.54 -44.84 93.05 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.196 178.712 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.477 ' NZ ' ' OE2' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -68.39 -48.52 64.48 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.228 -178.228 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -66.58 -42.5 86.88 Favored 'General case' 0 N--CA 1.438 -1.067 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.851 -174.257 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.793 ' HG ' HD13 ' A' ' 77' ' ' LEU . 4.5 mm? -63.51 -39.82 95.43 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 119.864 -0.734 . . . . 0.0 110.443 170.099 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.51 ' OD2' ' NZ ' ' A' ' 34' ' ' LYS . 49.8 m-20 -62.58 -18.31 61.87 Favored 'General case' 0 CA--C 1.515 -0.393 0 C-N-CA 120.769 -0.372 . . . . 0.0 111.372 179.581 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.477 ' OE2' ' NZ ' ' A' ' 59' ' ' LYS . 81.0 mm-40 -59.43 -36.27 75.58 Favored 'General case' 0 CA--C 1.511 -0.532 0 N-CA-C 107.399 -1.334 . . . . 0.0 107.399 173.272 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.513 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . 38.5 t-20 -108.45 35.95 3.0 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 114.955 -1.02 . . . . 0.0 108.787 174.29 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.488 ' HA2' ' HE2' ' A' ' 30' ' ' LYS . . . -94.79 20.03 50.84 Favored Glycine 0 C--O 1.228 -0.266 0 N-CA-C 109.917 -1.273 . . . . 0.0 109.917 179.713 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -63.85 -39.83 95.14 Favored 'General case' 0 C--N 1.313 -1.002 0 N-CA-C 112.921 0.711 . . . . 0.0 112.921 -175.582 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -161.46 -70.95 0.02 OUTLIER Glycine 0 CA--C 1.527 0.809 0 C-N-CA 119.71 -1.233 . . . . 0.0 113.947 -176.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.405 ' C ' ' HD3' ' A' ' 30' ' ' LYS . 0.4 OUTLIER -113.16 154.14 27.15 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 -173.9 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.977 HG23 ' HB2' ' A' ' 73' ' ' GLU . 0.2 OUTLIER -130.32 132.75 64.75 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 C-N-CA 123.73 0.812 . . . . 0.0 109.431 173.046 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.36 -173.39 3.05 Favored 'General case' 0 C--N 1.312 -1.05 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 178.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.504 ' HB3' ' HB ' ' B' ' 83' ' ' VAL . 29.9 t80 -61.33 -43.24 99.2 Favored 'General case' 0 C--N 1.301 -1.533 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.849 178.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -59.27 -45.61 90.75 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.37 179.555 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.977 ' HB2' HG23 ' A' ' 69' ' ' VAL . 81.6 mt-10 -65.71 -39.27 91.04 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 119.723 -0.791 . . . . 0.0 109.555 175.836 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -61.11 -48.74 80.25 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.483 -179.007 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.863 HG21 ' CB ' ' B' ' 79' ' ' ALA . 32.8 m -66.52 -40.64 86.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 -178.277 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.429 ' O ' ' N ' ' A' ' 80' ' ' ALA . 14.7 p -63.85 -39.14 84.35 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 C-N-CA 120.446 -0.502 . . . . 0.0 110.288 -177.842 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.989 HD22 HD11 ' A' ' 33' ' ' LEU . 44.2 tp -61.34 -49.44 76.95 Favored 'General case' 0 CA--C 1.513 -0.45 0 C-N-CA 120.684 -0.407 . . . . 0.0 110.902 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.722 HG12 HD23 ' A' ' 37' ' ' LEU . 29.9 m -68.12 -42.68 85.18 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.823 0 C-N-CA 119.877 -0.729 . . . . 0.0 109.989 178.837 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.942 ' CB ' HG21 ' B' ' 75' ' ' VAL . . . -64.03 -39.54 94.33 Favored 'General case' 0 CA--C 1.506 -0.736 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.233 179.141 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 76' ' ' VAL . . . -57.31 -47.21 82.1 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 -178.885 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.766 ' HG ' HG11 ' A' ' 57' ' ' VAL . 93.9 mt -63.04 -41.14 99.44 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.42 173.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.526 HG22 HD11 ' B' ' 12' ' ' ILE . 20.6 m -60.74 -51.94 67.21 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.688 -178.685 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.447 HG11 ' HG3' ' B' ' 72' ' ' GLN . 7.2 p -63.85 -43.19 97.76 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.552 0 C-N-CA 119.88 -0.728 . . . . 0.0 110.509 178.816 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.54 -49.61 76.84 Favored 'General case' 0 N--CA 1.441 -0.882 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 179.121 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.825 ' SD ' ' HB3' ' A' ' 47' ' ' ALA . 26.2 ttp -73.29 -44.69 58.7 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 120.162 -0.615 . . . . 0.0 111.28 -178.421 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.422 ' HB3' ' NE1' ' A' ' 90' ' ' TRP . 10.8 m120 -61.94 -33.97 75.25 Favored 'General case' 0 CA--C 1.503 -0.858 0 C-N-CA 121.027 -0.269 . . . . 0.0 110.886 -176.493 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.497 ' HA ' ' CE3' ' A' ' 90' ' ' TRP . 36.8 t30 -49.97 -35.14 23.16 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.033 175.761 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -61.34 -44.17 97.63 Favored 'General case' 0 C--O 1.222 -0.351 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 176.293 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -64.49 -40.04 94.92 Favored 'General case' 0 CA--C 1.511 -0.532 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.793 176.628 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.729 ' HZ2' HD12 ' B' ' 12' ' ' ILE . 38.2 m0 . . . . . 0 C--N 1.313 -1.004 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 -179.004 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 4.8 m . . . . . 0 N--CA 1.448 -0.574 0 CA-C-O 120.929 0.395 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 3' ' ' GLU . . . . . 0.412 ' H ' ' CD ' ' B' ' 3' ' ' GLU . 54.9 mp0 -51.73 -17.96 1.07 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.147 -177.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 1.055 HD22 HD23 ' A' ' 11' ' ' LEU . 96.0 mt -61.52 -41.84 97.92 Favored 'General case' 0 N--CA 1.44 -0.949 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.855 -178.042 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -62.01 -45.94 91.37 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 120.207 -0.597 . . . . 0.0 110.01 178.375 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 7.4 m -63.29 -45.85 89.49 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.061 0.458 . . . . 0.0 109.985 175.731 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.8 -46.79 77.92 Favored 'General case' 0 CA--C 1.513 -0.471 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 178.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 8' ' ' MET . . . . . 0.5 ' SD ' HD11 ' A' ' 11' ' ' LEU . 95.5 mmm -63.31 -41.08 98.91 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.208 179.647 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -66.01 -35.69 81.25 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 119.037 -1.065 . . . . 0.0 110.279 175.034 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.533 ' O ' HG23 ' B' ' 14' ' ' VAL . 10.5 m -57.62 -43.44 84.76 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 177.474 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.722 ' CD2' HD13 ' A' ' 4' ' ' LEU . 94.7 mt -61.9 -42.76 99.46 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.327 175.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.729 HD12 ' HZ2' ' A' ' 90' ' ' TRP . 22.5 mm -62.84 -45.38 98.99 Favored 'Isoleucine or valine' 0 C--O 1.24 0.588 0 CA-C-O 121.186 0.517 . . . . 0.0 110.209 -178.157 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 60.7 m-80 -64.35 -41.22 96.86 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.32 -179.519 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.899 HG21 HD21 ' A' ' 4' ' ' LEU . 90.7 t -66.63 -43.78 90.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 176.339 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -58.53 -47.39 84.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.467 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.476 ' HA ' ' OG ' ' B' ' 19' ' ' SER . 23.4 m-70 -78.16 -15.44 58.84 Favored 'General case' 0 C--O 1.24 0.558 0 N-CA-C 113.364 0.876 . . . . 0.0 113.364 -178.216 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.48 -34.98 69.6 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 175.119 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.408 ' O ' ' HB2' ' B' ' 21' ' ' LYS . 92.3 m-70 -89.06 -23.84 22.46 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 114.928 -1.033 . . . . 0.0 112.014 177.095 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.476 ' OG ' ' HA ' ' B' ' 16' ' ' HIS . 73.9 m -54.71 -37.77 66.26 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 120.445 -0.502 . . . . 0.0 109.998 178.845 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.18 -27.41 70.53 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 110.641 -0.984 . . . . 0.0 110.641 178.223 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 21' ' ' LYS . . . . . 0.41 ' HB2' ' HG3' ' B' ' 32' ' ' GLU . 14.6 mmtp -67.15 -43.81 81.36 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 112.913 0.709 . . . . 0.0 112.913 -172.496 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.424 ' OE1' ' N ' ' B' ' 23' ' ' GLY . 0.0 OUTLIER -143.11 -63.67 0.41 Allowed 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 -176.605 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 23' ' ' GLY . . . . . 0.424 ' N ' ' OE1' ' B' ' 22' ' ' GLU . . . -61.46 -166.11 0.37 Allowed Glycine 0 CA--C 1.528 0.854 0 CA-C-N 115.602 -0.726 . . . . 0.0 113.401 -170.481 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 24' ' ' ASP . . . . . 0.474 ' CG ' ' N ' ' B' ' 25' ' ' LYS . 32.7 t70 -64.33 175.24 1.37 Allowed 'General case' 0 C--O 1.237 0.403 0 C-N-CA 123.237 0.615 . . . . 0.0 110.822 -179.263 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.474 ' N ' ' CG ' ' B' ' 24' ' ' ASP . 8.6 pttm -51.84 -41.19 61.63 Favored 'General case' 0 C--O 1.24 0.566 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 176.266 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.567 ' CD1' ' HB3' ' A' ' 90' ' ' TRP . 0.0 OUTLIER -126.52 92.09 3.49 Favored 'General case' 0 N--CA 1.445 -0.722 0 C-N-CA 119.629 -0.828 . . . . 0.0 110.337 168.318 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.612 ' NZ ' ' HB3' ' B' ' 70' ' ' ASP . 0.6 OUTLIER -167.01 179.69 5.09 Favored 'General case' 0 C--N 1.31 -1.132 0 C-N-CA 124.795 1.238 . . . . 0.0 107.957 169.591 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.557 HD11 ' HB2' ' B' ' 32' ' ' GLU . 48.0 tp -146.03 132.64 19.86 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 173.229 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 2.5 m -83.52 158.26 22.06 Favored 'General case' 0 C--N 1.314 -0.948 0 C-N-CA 119.605 -0.838 . . . . 0.0 109.025 177.382 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.559 ' NZ ' ' O ' ' B' ' 64' ' ' ASN . 0.3 OUTLIER -66.98 -5.82 14.36 Favored 'General case' 0 C--O 1.246 0.869 0 C-N-CA 120.014 -0.674 . . . . 0.0 109.623 179.535 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 46.9 mttm -65.85 -67.16 0.46 Allowed 'General case' 0 CA--C 1.514 -0.41 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.053 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.557 ' HB2' HD11 ' B' ' 28' ' ' LEU . 66.2 mm-40 -65.76 -36.15 82.75 Favored 'General case' 0 N--CA 1.434 -1.258 0 CA-C-N 114.609 -1.178 . . . . 0.0 110.857 -179.682 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.911 HD11 ' CD2' ' B' ' 77' ' ' LEU . 1.8 tm? -57.15 -49.23 76.59 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 -168.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.494 ' NZ ' ' O ' ' B' ' 30' ' ' LYS . 38.5 mtmm -63.77 -43.91 94.96 Favored 'General case' 0 C--N 1.317 -0.832 0 C-N-CA 118.972 -1.091 . . . . 0.0 109.37 -179.024 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.726 ' O ' HG22 ' B' ' 39' ' ' THR . 92.0 mt-10 -68.65 -40.53 80.19 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-N 114.324 -1.307 . . . . 0.0 109.79 -178.639 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.502 ' HB3' ' O ' ' B' ' 32' ' ' GLU . 3.6 tp -62.54 -45.63 92.07 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.114 -0.948 . . . . 0.0 110.371 171.617 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.856 HD11 ' CD1' ' B' ' 81' ' ' LEU . 2.6 tm? -63.15 -45.78 90.25 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.943 -178.205 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.439 ' HG2' ' O ' ' B' ' 35' ' ' GLU . 21.1 pt20 -64.27 -46.0 85.59 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.061 -0.656 . . . . 0.0 112.462 -177.002 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.726 HG22 ' O ' ' B' ' 35' ' ' GLU . 0.5 OUTLIER -61.77 -51.76 67.01 Favored 'General case' 0 C--O 1.244 0.809 0 C-N-CA 119.632 -0.827 . . . . 0.0 111.394 -177.148 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.486 ' HB3' ' HG ' ' A' ' 4' ' ' LEU . 40.1 mm-40 -69.58 -36.46 76.27 Favored 'General case' 0 N--CA 1.439 -0.978 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -174.142 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.409 HD22 HD21 ' B' ' 37' ' ' LEU . 9.3 mp -102.77 28.66 5.94 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.532 179.396 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 30.8 m -52.61 -42.13 64.31 Favored 'General case' 0 C--O 1.242 0.676 0 CA-C-O 120.823 0.344 . . . . 0.0 110.721 -178.78 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -61.75 -44.65 97.61 Favored Glycine 0 N--CA 1.449 -0.452 0 N-CA-C 110.704 -0.958 . . . . 0.0 110.704 179.751 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.703 ' CE2' HG23 ' B' ' 82' ' ' THR . 14.0 m-85 -73.12 -45.63 55.84 Favored 'General case' 0 CA--C 1.501 -0.913 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.452 176.291 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.653 HD12 HE21 ' B' ' 48' ' ' GLN . 15.2 tp -61.62 -49.95 74.54 Favored 'General case' 0 C--N 1.312 -1.028 0 N-CA-C 114.059 1.133 . . . . 0.0 114.059 -172.157 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.45 ' OD1' ' NZ ' ' B' ' 49' ' ' LYS . 21.9 t70 -65.55 -36.9 85.14 Favored 'General case' 0 C--N 1.306 -1.31 0 C-N-CA 120.189 -0.604 . . . . 0.0 110.9 -177.355 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.64 -34.97 78.13 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.381 178.31 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.653 HE21 HD12 ' B' ' 45' ' ' LEU . 2.7 pp0? -103.62 15.06 29.82 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 -172.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.45 ' NZ ' ' OD1' ' B' ' 46' ' ' ASP . 91.3 mttt -59.09 -40.29 84.83 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 120.722 -0.391 . . . . 0.0 111.809 179.246 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -98.75 22.77 9.58 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-O 120.734 0.302 . . . . 0.0 111.623 -175.513 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 51' ' ' VAL . . . . . 0.634 ' O ' HG12 ' B' ' 51' ' ' VAL . 45.9 t -104.38 14.6 6.86 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.392 -179.532 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.407 ' OD2' ' NZ ' ' B' ' 56' ' ' LYS . 19.8 t70 60.84 -46.94 0.11 Allowed 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 112.763 0.653 . . . . 0.0 112.763 176.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.476 ' N ' ' O ' ' B' ' 51' ' ' VAL . . . -48.49 -34.53 11.34 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.812 -174.206 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.462 ' HB ' ' OE1' ' B' ' 48' ' ' GLN . 14.7 p -52.56 -37.57 24.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 179.297 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.471 ' OD1' ' NZ ' ' B' ' 59' ' ' LYS . 33.7 t70 -61.48 -48.06 82.81 Favored 'General case' 0 CA--C 1.51 -0.579 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.67 176.279 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 56' ' ' LYS . . . . . 0.407 ' NZ ' ' OD2' ' B' ' 52' ' ' ASP . 41.0 mttp -65.42 -43.33 90.86 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.487 -178.692 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.529 HG11 ' HG ' ' B' ' 81' ' ' LEU . 70.5 t -64.44 -44.73 97.06 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-N 115.121 -0.945 . . . . 0.0 108.649 178.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 65.9 ttp -60.58 -38.84 85.96 Favored 'General case' 0 N--CA 1.43 -1.455 0 CA-C-N 114.346 -1.297 . . . . 0.0 109.549 173.625 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 59' ' ' LYS . . . . . 0.471 ' NZ ' ' OD1' ' B' ' 55' ' ' ASP . 0.4 OUTLIER -59.95 -48.77 80.32 Favored 'General case' 0 CA--C 1.508 -0.656 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.37 -174.967 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -63.26 -41.54 99.05 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.274 -178.16 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.715 ' HG ' HD13 ' B' ' 77' ' ' LEU . 2.1 mm? -62.93 -39.82 95.77 Favored 'General case' 0 C--N 1.314 -0.965 0 C-N-CA 120.193 -0.603 . . . . 0.0 109.846 175.845 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -64.53 -40.24 95.24 Favored 'General case' 0 C--O 1.234 0.273 0 O-C-N 123.561 0.538 . . . . 0.0 110.541 176.598 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 63' ' ' GLU . . . . . 0.442 ' HG3' ' O ' ' B' ' 59' ' ' LYS . 98.7 mt-10 -60.3 -41.13 92.76 Favored 'General case' 0 CA--C 1.51 -0.576 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 178.211 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 64' ' ' ASN . . . . . 0.559 ' O ' ' NZ ' ' B' ' 30' ' ' LYS . 23.2 m120 -90.24 17.42 7.14 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-N 114.49 -1.232 . . . . 0.0 109.39 176.068 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 65' ' ' GLY . . . . . 0.433 ' HA2' ' HG3' ' B' ' 30' ' ' LYS . . . -104.51 26.02 24.0 Favored Glycine 0 C--O 1.224 -0.491 0 CA-C-N 116.059 -0.519 . . . . 0.0 112.194 -174.107 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -61.72 -41.39 97.57 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.778 178.485 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -136.69 -71.57 0.06 OUTLIER Glycine 0 C--N 1.32 -0.359 0 N-CA-C 111.649 -0.58 . . . . 0.0 111.649 -177.48 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -133.63 176.47 8.52 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.342 0.592 . . . . 0.0 112.181 -178.265 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.953 HG23 ' HB2' ' B' ' 73' ' ' GLU . 1.5 p -127.21 136.59 60.26 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.162 0 C-N-CA 124.342 1.057 . . . . 0.0 109.288 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.612 ' HB3' ' NZ ' ' B' ' 27' ' ' LYS . 0.6 OUTLIER -101.17 -176.96 3.3 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 121.583 0.706 . . . . 0.0 111.59 179.151 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.592 ' O ' HG22 ' B' ' 75' ' ' VAL . 48.2 t80 -60.14 -44.05 95.25 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-N 114.822 -1.081 . . . . 0.0 109.769 -179.066 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.447 ' HG3' HG11 ' A' ' 83' ' ' VAL . 24.6 mt-30 -60.03 -40.78 90.51 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.659 179.225 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.953 ' HB2' HG23 ' B' ' 69' ' ' VAL . 70.6 mt-10 -67.18 -41.9 85.15 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 119.172 -1.011 . . . . 0.0 109.25 173.749 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 74' ' ' TYR . . . . . 0.636 ' OH ' HD11 ' A' ' 4' ' ' LEU . 46.7 t80 -61.16 -49.43 77.25 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.266 -176.151 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.942 HG21 ' CB ' ' A' ' 79' ' ' ALA . 31.0 m -64.18 -42.56 95.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 116.267 -0.424 . . . . 0.0 112.123 -178.821 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.475 ' O ' ' N ' ' B' ' 80' ' ' ALA . 11.7 p -66.18 -39.02 83.24 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 C-N-CA 120.113 -0.635 . . . . 0.0 110.114 178.069 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.911 ' CD2' HD11 ' B' ' 33' ' ' LEU . 57.7 tp -61.48 -49.06 78.31 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.668 -179.456 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.773 HG12 HD23 ' B' ' 37' ' ' LEU . 19.6 m -67.91 -41.98 85.27 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 C-N-CA 119.949 -0.7 . . . . 0.0 110.371 178.596 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.863 ' CB ' HG21 ' A' ' 75' ' ' VAL . . . -62.71 -42.55 99.7 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.86 176.576 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 80' ' ' ALA . . . . . 0.475 ' N ' ' O ' ' B' ' 76' ' ' VAL . . . -56.33 -48.56 76.5 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.632 -178.698 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.856 ' CD1' HD11 ' B' ' 37' ' ' LEU . 88.3 mt -64.05 -42.23 97.1 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.373 174.903 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.75 HG22 ' OD1' ' B' ' 86' ' ' ASN . 15.8 m -62.52 -49.11 76.64 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.663 -177.683 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.504 ' HB ' ' HB3' ' A' ' 71' ' ' PHE . 14.7 p -61.51 -45.87 97.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.749 0.309 . . . . 0.0 111.246 -179.528 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -58.55 -50.95 71.9 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 120.568 -0.453 . . . . 0.0 110.013 -179.652 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 85' ' ' MET . . . . . 0.406 ' SD ' ' HD1' ' B' ' 44' ' ' PHE . 0.0 OUTLIER -66.41 -44.59 82.57 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.801 178.542 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 86' ' ' ASN . . . . . 0.75 ' OD1' HG22 ' B' ' 82' ' ' THR . 6.6 m120 -63.67 -39.29 93.95 Favored 'General case' 0 CA--C 1.508 -0.66 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.986 -179.115 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -49.63 -39.58 36.43 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.165 177.742 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -62.08 -41.89 98.64 Favored 'General case' 0 C--O 1.217 -0.643 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.082 175.389 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 . . . . . 0 C--N 1.322 -0.596 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.345 175.863 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.45 ' C ' ' H ' ' A' ' 4' ' ' LEU . 7.9 m . . . . . 0 C--O 1.238 0.475 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.463 ' H ' ' CD ' ' A' ' 3' ' ' GLU . 1.9 mp0 -51.26 -17.39 0.69 Allowed 'General case' 0 C--O 1.237 0.44 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 178.017 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.45 ' H ' ' C ' ' A' ' 2' ' ' SER . 0.1 OUTLIER -56.91 -45.59 82.57 Favored 'General case' 0 N--CA 1.435 -1.193 0 CA-C-N 114.68 -1.146 . . . . 0.0 109.118 -175.088 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.464 ' HG2' ' CD2' ' B' ' 44' ' ' PHE . 98.6 mt-10 -65.3 -42.34 93.15 Favored 'General case' 0 N--CA 1.445 -0.675 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.963 179.029 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.9 m -62.22 -46.04 90.64 Favored 'General case' 0 C--O 1.244 0.777 0 CA-C-O 121.092 0.472 . . . . 0.0 110.051 175.776 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.45 -49.48 76.11 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.817 179.217 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.452 ' HE1' ' HB2' ' B' ' 79' ' ' ALA . 96.9 mmm -65.36 -41.04 94.23 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.095 179.496 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -64.65 -35.68 81.82 Favored 'General case' 0 CA--C 1.513 -0.468 0 C-N-CA 119.888 -0.725 . . . . 0.0 111.283 177.176 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 18.6 m -58.33 -43.38 88.21 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 176.861 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.546 HD11 ' SD ' ' B' ' 8' ' ' MET . 83.8 mt -62.91 -40.77 98.6 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.334 174.171 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.63 HD13 ' CD1' ' A' ' 71' ' ' PHE . 20.9 mm -62.36 -44.23 98.99 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 CA-C-O 121.091 0.472 . . . . 0.0 109.82 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 43.2 m-80 -62.17 -41.9 98.75 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.532 -177.355 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.955 HG21 HD21 ' B' ' 4' ' ' LEU . 91.2 t -63.26 -42.87 97.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 174.802 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -58.35 -47.93 82.2 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.487 178.765 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -60.86 -43.32 98.51 Favored 'General case' 0 CA--C 1.506 -0.739 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.422 174.288 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.29 -48.76 68.08 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.359 -176.542 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.538 ' CD2' HD13 ' A' ' 36' ' ' LEU . 90.6 m-70 -75.74 -31.49 59.62 Favored 'General case' 0 C--N 1.319 -0.759 0 C-N-CA 120.637 -0.425 . . . . 0.0 111.858 176.048 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 70.2 m -52.2 -42.33 63.41 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.642 -177.018 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.29 -28.42 70.88 Favored Glycine 0 CA--C 1.528 0.848 0 N-CA-C 111.491 -0.644 . . . . 0.0 111.491 -179.62 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -64.29 -41.54 96.82 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 -173.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.416 ' OE1' ' N ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -144.52 -53.13 0.31 Allowed 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -177.838 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.416 ' N ' ' OE1' ' A' ' 22' ' ' GLU . . . -59.25 -178.38 1.21 Allowed Glycine 0 CA--C 1.527 0.827 0 CA-C-N 116.25 -0.432 . . . . 0.0 112.889 -173.795 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.417 ' O ' ' C ' ' A' ' 25' ' ' LYS . 26.2 t70 -60.85 163.07 6.06 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.214 -0.493 . . . . 0.0 109.719 177.624 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 24' ' ' ASP . 0.5 OUTLIER -37.45 -41.26 0.43 Allowed 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 120.97 -0.292 . . . . 0.0 110.349 -176.918 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.528 ' O ' ' HG2' ' A' ' 27' ' ' LYS . 10.7 p90 -132.44 90.16 2.75 Favored 'General case' 0 N--CA 1.441 -0.901 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.081 167.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.528 ' HG2' ' O ' ' A' ' 26' ' ' TYR . 2.0 mmmm -165.97 161.7 17.64 Favored 'General case' 0 C--N 1.316 -0.881 0 C-N-CA 125.532 1.533 . . . . 0.0 107.145 170.888 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.583 HD11 ' HB2' ' A' ' 32' ' ' GLU . 55.6 tp -123.92 131.09 53.52 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.123 175.27 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.1 m -86.92 158.21 19.34 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 176.743 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.734 ' NZ ' ' HA ' ' A' ' 62' ' ' ASP . 10.3 mmmm -68.97 -7.08 31.93 Favored 'General case' 0 C--N 1.311 -1.092 0 C-N-CA 119.534 -0.866 . . . . 0.0 110.161 -177.433 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 47.3 mttm -64.29 -48.6 75.05 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-O 121.795 0.807 . . . . 0.0 109.139 -177.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.583 ' HB2' HD11 ' A' ' 28' ' ' LEU . 68.2 mm-40 -86.82 -30.87 21.18 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 114.456 -1.247 . . . . 0.0 111.003 -178.817 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.711 HD11 ' CD2' ' A' ' 77' ' ' LEU . 3.2 tm? -59.02 -43.77 91.63 Favored 'General case' 0 C--N 1.313 -0.999 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 -177.249 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -63.51 -42.41 98.48 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.227 -0.589 . . . . 0.0 110.719 177.849 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.941 ' O ' HG22 ' A' ' 39' ' ' THR . 6.0 mm-40 -67.17 -43.68 81.63 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.748 0.785 . . . . 0.0 108.91 175.765 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.538 HD13 ' CD2' ' A' ' 18' ' ' HIS . 21.4 tp -60.88 -48.33 82.31 Favored 'General case' 0 C--N 1.309 -1.191 0 CA-C-N 114.357 -1.292 . . . . 0.0 112.747 -178.37 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.704 HD21 HD22 ' A' ' 41' ' ' LEU . 2.8 tm? -64.13 -44.93 90.72 Favored 'General case' 0 C--N 1.309 -1.177 0 C-N-CA 120.091 -0.643 . . . . 0.0 111.394 -176.229 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -66.44 -44.87 81.63 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 112.867 0.691 . . . . 0.0 112.867 -178.798 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.941 HG22 ' O ' ' A' ' 35' ' ' GLU . 0.9 OUTLIER -66.11 -52.65 46.66 Favored 'General case' 0 C--O 1.24 0.574 0 C-N-CA 120.308 -0.557 . . . . 0.0 111.963 -178.126 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.54 ' HG2' HG23 ' A' ' 39' ' ' THR . 42.9 mm-40 -72.39 -35.14 68.34 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 -171.787 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.704 HD22 HD21 ' A' ' 37' ' ' LEU . 11.1 mp -99.88 35.23 2.07 Favored 'General case' 0 CA--C 1.508 -0.646 0 CA-C-O 121.272 0.558 . . . . 0.0 109.704 177.389 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.31 -36.24 70.86 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.947 -176.685 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.54 -42.71 80.18 Favored Glycine 0 C--O 1.241 0.534 0 N-CA-C 111.268 -0.733 . . . . 0.0 111.268 176.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.782 ' HA ' ' SD ' ' A' ' 85' ' ' MET . 54.8 m-85 -69.58 -41.57 75.64 Favored 'General case' 0 CA--C 1.496 -1.123 0 CA-C-O 121.619 0.723 . . . . 0.0 109.419 177.749 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.433 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 48.9 tp -62.01 -44.03 97.58 Favored 'General case' 0 N--CA 1.431 -1.406 0 CA-C-N 114.457 -1.247 . . . . 0.0 110.188 175.276 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -58.72 -45.9 88.57 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.641 176.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.785 ' HB3' ' SD ' ' A' ' 85' ' ' MET . . . -62.76 -36.39 82.91 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.818 -175.207 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -131.0 47.55 2.53 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 -176.006 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.433 ' HG3' ' O ' ' A' ' 45' ' ' LEU . 67.2 mttm -63.19 -39.54 94.95 Favored 'General case' 0 C--O 1.242 0.698 0 C-N-CA 120.12 -0.632 . . . . 0.0 109.868 172.799 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -80.05 -3.94 50.64 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-N 114.581 -1.191 . . . . 0.0 112.428 -173.816 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.666 ' O ' HG12 ' A' ' 54' ' ' VAL . 8.7 t -88.71 132.54 33.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 -179.74 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.445 ' OD1' ' NZ ' ' A' ' 56' ' ' LYS . 0.3 OUTLIER -59.64 -28.46 67.25 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.796 -179.139 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.517 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -62.69 -38.86 92.06 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.729 -0.669 . . . . 0.0 112.615 -173.783 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.666 HG12 ' O ' ' A' ' 51' ' ' VAL . 9.6 p -57.21 -43.62 82.14 Favored 'Isoleucine or valine' 0 C--O 1.237 0.413 0 C-N-CA 120.661 -0.416 . . . . 0.0 111.041 -174.632 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -59.79 -50.01 75.48 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.829 0.823 . . . . 0.0 109.51 176.004 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.445 ' NZ ' ' OD1' ' A' ' 52' ' ' ASP . 44.6 mttp -65.2 -40.85 94.75 Favored 'General case' 0 C--N 1.306 -1.322 0 CA-C-N 114.249 -1.342 . . . . 0.0 111.325 -176.057 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.561 HG12 HD12 ' A' ' 77' ' ' LEU . 53.0 t -60.87 -47.07 95.01 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.848 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 177.353 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 57.5 ttp -61.48 -42.24 98.48 Favored 'General case' 0 C--N 1.306 -1.291 0 CA-C-N 114.653 -1.158 . . . . 0.0 110.323 174.415 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.441 ' HD3' ' HA ' ' A' ' 59' ' ' LYS . 0.2 OUTLIER -65.15 -37.54 87.73 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.772 -176.704 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.413 ' O ' ' HB2' ' A' ' 63' ' ' GLU . 90.6 mt-10 -58.46 -35.12 71.67 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.13 0.491 . . . . 0.0 110.295 178.203 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.713 ' HG ' HD22 ' A' ' 77' ' ' LEU . 2.4 mm? -62.66 -35.92 81.2 Favored 'General case' 0 C--N 1.308 -1.225 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.289 176.01 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.734 ' HA ' ' NZ ' ' A' ' 30' ' ' LYS . 94.2 m-20 -69.19 -20.88 63.99 Favored 'General case' 0 C--N 1.313 -0.983 0 C-N-CA 120.689 -0.404 . . . . 0.0 112.005 178.448 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.413 ' HB2' ' O ' ' A' ' 60' ' ' GLU . 95.9 mt-10 -62.58 -69.56 0.25 Allowed 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 175.587 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -67.47 -48.39 67.3 Favored 'General case' 0 CA--C 1.502 -0.885 0 CA-C-O 121.593 0.711 . . . . 0.0 109.73 178.59 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.489 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . . . -74.22 54.17 2.29 Favored Glycine 0 N--CA 1.434 -1.464 0 N-CA-C 108.961 -1.656 . . . . 0.0 108.961 178.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -63.1 -34.82 78.42 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-O 121.58 0.705 . . . . 0.0 109.138 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -121.99 -62.65 0.22 Allowed Glycine 0 C--N 1.318 -0.442 0 CA-C-N 114.762 -1.108 . . . . 0.0 110.648 179.764 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.407 ' O ' ' HA2' ' A' ' 65' ' ' GLY . 0.5 OUTLIER -117.64 167.9 10.91 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 110.413 -0.217 . . . . 0.0 110.413 -179.829 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.617 HG23 ' HB2' ' A' ' 73' ' ' GLU . 2.4 p -128.17 133.3 67.31 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 173.86 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -98.94 -177.12 3.53 Favored 'General case' 0 C--N 1.316 -0.863 0 C-N-CA 120.341 -0.544 . . . . 0.0 110.335 -179.8 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.63 ' CD1' HD13 ' A' ' 12' ' ' ILE . 61.6 t80 -60.93 -44.74 96.79 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-O 121.388 0.613 . . . . 0.0 109.993 179.111 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -60.3 -40.25 89.87 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.159 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.617 ' HB2' HG23 ' A' ' 69' ' ' VAL . 89.9 mt-10 -69.73 -41.06 75.79 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.134 -0.626 . . . . 0.0 110.685 173.481 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.464 ' CE1' HD21 ' A' ' 36' ' ' LEU . 31.4 t80 -60.53 -48.77 80.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.82 -178.738 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.782 HG21 ' CB ' ' B' ' 79' ' ' ALA . 27.6 m -63.06 -44.37 99.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -179.229 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.41 ' O ' ' N ' ' A' ' 80' ' ' ALA . 13.6 p -64.82 -39.27 85.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.571 -178.148 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.713 HD22 ' HG ' ' A' ' 61' ' ' LEU . 47.9 tp -60.8 -48.66 80.77 Favored 'General case' 0 CA--C 1.508 -0.651 0 CA-C-O 121.05 0.452 . . . . 0.0 110.595 -179.171 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.628 HG12 HD23 ' A' ' 37' ' ' LEU . 18.4 m -68.25 -41.59 83.94 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.179 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.614 178.478 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.68 ' CB ' HG21 ' B' ' 75' ' ' VAL . . . -62.78 -40.42 97.25 Favored 'General case' 0 CA--C 1.508 -0.64 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.734 176.738 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.415 ' HA ' ' OE1' ' B' ' 72' ' ' GLN . . . -57.06 -48.72 77.86 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.046 -178.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.571 ' CD1' HD11 ' A' ' 37' ' ' LEU . 94.5 mt -63.55 -40.11 96.14 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 174.135 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.47 ' HA ' ' CE2' ' A' ' 44' ' ' PHE . 19.8 m -61.54 -50.32 73.14 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.209 -178.467 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.488 HG23 ' HH2' ' A' ' 90' ' ' TRP . 10.0 p -61.86 -43.66 97.71 Favored 'Isoleucine or valine' 0 C--O 1.238 0.471 0 C-N-CA 120.26 -0.576 . . . . 0.0 110.22 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.18 -50.9 72.25 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.274 179.199 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.785 ' SD ' ' HB3' ' A' ' 47' ' ' ALA . 34.1 ttp -74.64 -42.46 58.49 Favored 'General case' 0 C--O 1.221 -0.426 0 C-N-CA 120.176 -0.61 . . . . 0.0 111.145 -179.174 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.559 ' OD1' ' NE1' ' A' ' 90' ' ' TRP . 1.8 t-20 -62.77 -33.89 76.09 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 119.877 -0.729 . . . . 0.0 110.544 -173.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.631 ' HA ' ' CD2' ' A' ' 90' ' ' TRP . 0.1 OUTLIER -48.92 -31.93 8.16 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.572 174.758 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.518 ' HB3' ' O ' ' A' ' 85' ' ' MET . 54.1 t80 -58.75 -44.71 90.64 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.873 176.701 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -62.72 -44.26 96.69 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.275 177.795 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.631 ' CD2' ' HA ' ' A' ' 87' ' ' ASN . 3.2 m0 . . . . . 0 CA--C 1.507 -0.696 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 -175.733 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 14.6 m . . . . . 0 C--O 1.239 0.524 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -46.59 -26.79 0.96 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.756 0.312 . . . . 0.0 110.727 -178.227 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.955 HD21 HG21 ' A' ' 14' ' ' VAL . 0.7 OUTLIER -60.46 -41.86 94.98 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.666 -178.926 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 -62.61 -40.68 97.71 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 119.387 -0.925 . . . . 0.0 109.556 176.442 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 10.9 m -63.63 -47.53 80.96 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-O 121.467 0.651 . . . . 0.0 109.276 175.117 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.55 -47.34 84.54 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.64 -179.4 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 8' ' ' MET . . . . . 0.546 ' SD ' HD11 ' A' ' 11' ' ' LEU . 96.6 mmm -63.39 -40.63 97.74 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.545 -0.462 . . . . 0.0 110.597 179.341 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.33 -37.25 86.5 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 119.63 -0.828 . . . . 0.0 110.685 172.826 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 8.8 m -58.31 -43.19 88.03 Favored 'General case' 0 C--O 1.237 0.428 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 177.062 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.409 HD21 HD13 ' A' ' 4' ' ' LEU . 98.4 mt -62.22 -41.43 98.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.864 176.459 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.547 HG21 ' OD1' ' A' ' 86' ' ' ASN . 26.4 mm -62.53 -44.14 99.05 Favored 'Isoleucine or valine' 0 C--O 1.236 0.384 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 178.811 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -61.62 -43.61 98.55 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.645 -177.317 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 93.6 t -65.4 -47.31 87.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 174.58 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -59.26 -49.1 79.14 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.078 -177.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.528 ' CE1' ' HB3' ' B' ' 26' ' ' TYR . 11.1 m-70 -80.78 -15.51 56.23 Favored 'General case' 0 CA--C 1.508 -0.661 0 N-CA-C 113.522 0.934 . . . . 0.0 113.522 -178.361 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.27 -42.57 91.52 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 107.551 -1.277 . . . . 0.0 107.551 174.608 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.475 ' ND1' ' OE1' ' B' ' 32' ' ' GLU . 87.4 m-70 -73.94 -34.92 64.49 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.608 -1.178 . . . . 0.0 111.785 176.058 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.408 ' OG ' ' HA ' ' B' ' 16' ' ' HIS . 72.2 m -50.3 -37.04 34.4 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-O 120.848 0.356 . . . . 0.0 111.752 -176.492 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.87 -21.66 52.4 Favored Glycine 0 C--N 1.31 -0.884 0 N-CA-C 111.682 -0.567 . . . . 0.0 111.682 -179.192 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -81.57 -72.48 0.43 Allowed 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 114.104 1.15 . . . . 0.0 114.104 -169.681 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -67.03 -45.15 78.37 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 113.813 -1.54 . . . . 0.0 114.252 -160.595 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -179.03 -73.93 0.06 OUTLIER Glycine 0 CA--C 1.527 0.788 0 C-N-CA 119.075 -1.536 . . . . 0.0 114.424 -177.471 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 24' ' ' ASP . . . . . 0.532 ' HB3' ' HB2' ' B' ' 27' ' ' LYS . 15.4 t70 -59.94 157.45 12.58 Favored 'General case' 0 CA--C 1.507 -0.679 0 O-C-N 122.537 -0.39 . . . . 0.0 111.198 -172.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -62.43 -43.03 99.8 Favored 'General case' 0 CA--C 1.481 -1.7 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 176.679 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.528 ' HB3' ' CE1' ' B' ' 16' ' ' HIS . 0.0 OUTLIER -139.5 93.09 2.63 Favored 'General case' 0 N--CA 1.427 -1.586 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.447 177.012 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.532 ' HB2' ' HB3' ' B' ' 24' ' ' ASP . 5.8 mmtm -163.71 167.46 21.01 Favored 'General case' 0 CA--C 1.498 -1.038 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.552 173.33 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.406 HD21 ' HA ' ' B' ' 33' ' ' LEU . 48.2 tp -124.69 133.13 53.31 Favored 'General case' 0 C--N 1.292 -1.892 0 N-CA-C 107.173 -1.417 . . . . 0.0 107.173 170.498 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.426 ' HB2' ' HG3' ' B' ' 31' ' ' LYS . 0.7 OUTLIER -101.24 -177.54 3.47 Favored 'General case' 0 C--N 1.307 -1.262 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.03 -176.002 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.531 ' NZ ' ' O ' ' B' ' 62' ' ' ASP . 8.3 mmmm -80.98 0.55 35.1 Favored 'General case' 0 C--N 1.314 -0.942 0 C-N-CA 120.84 -0.344 . . . . 0.0 111.765 -174.202 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.456 ' O ' ' HG2' ' B' ' 35' ' ' GLU . 6.4 mttt -88.61 -62.97 1.37 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 -179.433 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.475 ' OE1' ' ND1' ' B' ' 18' ' ' HIS . 67.1 mm-40 -66.98 -34.43 77.73 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.565 -179.369 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.598 HD13 ' C ' ' B' ' 33' ' ' LEU . 2.3 tm? -58.83 -43.83 90.78 Favored 'General case' 0 C--O 1.238 0.469 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 -178.425 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.418 ' NZ ' ' O ' ' B' ' 30' ' ' LYS . 46.1 mttp -63.37 -42.85 98.88 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 176.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.456 ' HG2' ' O ' ' B' ' 31' ' ' LYS . 80.4 mm-40 -67.75 -42.02 82.44 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.551 -176.721 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.619 HD12 ' C ' ' B' ' 36' ' ' LEU . 0.3 OUTLIER -82.09 -40.28 22.17 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 113.227 0.825 . . . . 0.0 113.227 -173.53 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.765 HD23 HG12 ' B' ' 78' ' ' VAL . 2.4 tm? -60.37 -42.46 95.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.169 0.509 . . . . 0.0 110.002 -178.209 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -59.58 -42.25 92.08 Favored 'General case' 0 C--N 1.312 -1.064 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.453 HG23 ' O ' ' B' ' 35' ' ' GLU . 2.8 p -80.41 -50.13 10.52 Favored 'General case' 0 CA--C 1.506 -0.719 0 C-N-CA 120.044 -0.663 . . . . 0.0 111.083 -178.606 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -58.25 -40.17 81.07 Favored 'General case' 0 N--CA 1.439 -1.013 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.646 -172.253 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.4 HD11 HD12 ' A' ' 4' ' ' LEU . 8.4 mp -107.51 31.52 5.37 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.376 177.006 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 2.6 p -55.29 -37.69 67.64 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.981 -176.662 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -64.24 -48.14 77.67 Favored Glycine 0 C--O 1.242 0.629 0 N-CA-C 110.561 -1.016 . . . . 0.0 110.561 176.235 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.496 ' CE2' HG23 ' B' ' 82' ' ' THR . 29.5 m-85 -66.2 -41.41 90.21 Favored 'General case' 0 CA--C 1.503 -0.856 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.408 178.404 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.524 ' O ' HD12 ' B' ' 45' ' ' LEU . 3.0 tp -60.51 -47.42 86.23 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.254 -0.884 . . . . 0.0 110.722 179.702 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -67.69 -43.04 81.07 Favored 'General case' 0 C--N 1.317 -0.807 0 C-N-CA 119.733 -0.787 . . . . 0.0 111.108 176.546 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 47' ' ' ALA . . . . . 0.405 ' HB3' ' HG3' ' B' ' 85' ' ' MET . . . -59.7 -49.14 78.91 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.711 -177.094 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.469 ' NE2' ' HB ' ' B' ' 54' ' ' VAL . 0.0 OUTLIER -103.9 37.08 2.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.338 0.589 . . . . 0.0 110.585 178.911 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 1.5 tttp -61.97 -42.14 98.8 Favored 'General case' 0 C--N 1.308 -1.239 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.509 -179.031 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -85.43 37.7 0.7 Allowed 'General case' 0 C--O 1.239 0.522 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.284 -179.543 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 51' ' ' VAL . . . . . 0.489 ' O ' HG12 ' B' ' 54' ' ' VAL . 54.9 t -118.17 130.27 73.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 120.974 0.416 . . . . 0.0 110.727 -179.236 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -58.06 -39.34 78.24 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.558 179.716 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.518 ' O ' HG23 ' B' ' 57' ' ' VAL . . . -56.12 -27.46 54.03 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.669 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.489 HG12 ' O ' ' B' ' 51' ' ' VAL . 0.9 OUTLIER -59.46 -41.5 84.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 C-N-CA 119.717 -0.793 . . . . 0.0 110.205 179.774 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.421 ' O ' ' HB3' ' B' ' 59' ' ' LYS . 27.2 t70 -69.09 -57.14 5.81 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-O 121.486 0.66 . . . . 0.0 110.092 175.684 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 56' ' ' LYS . . . . . 0.428 ' HA ' ' CD ' ' B' ' 59' ' ' LYS . 50.4 mttp -65.2 -39.07 92.33 Favored 'General case' 0 C--N 1.307 -1.249 0 CA-C-N 114.796 -1.093 . . . . 0.0 113.83 -174.203 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.563 HG12 HD12 ' B' ' 77' ' ' LEU . 76.1 t -62.82 -47.68 91.68 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 177.439 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 58' ' ' MET . . . . . 0.449 ' O ' ' HB2' ' B' ' 62' ' ' ASP . 66.1 ttp -63.64 -47.02 83.02 Favored 'General case' 0 N--CA 1.431 -1.376 0 CA-C-N 114.873 -1.058 . . . . 0.0 110.939 177.529 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 59' ' ' LYS . . . . . 0.503 ' HG2' ' N ' ' B' ' 60' ' ' GLU . 1.1 ptmt -71.37 -42.68 68.14 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 -176.553 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 60' ' ' GLU . . . . . 0.503 ' N ' ' HG2' ' B' ' 59' ' ' LYS . 86.8 mt-10 -65.88 -42.66 90.05 Favored 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 119.513 -0.875 . . . . 0.0 109.838 -179.128 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.455 HD11 HG13 ' B' ' 76' ' ' VAL . 2.3 mm? -64.52 -34.8 79.07 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.283 0.563 . . . . 0.0 109.541 173.552 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.531 ' O ' ' NZ ' ' B' ' 30' ' ' LYS . 23.7 t70 -55.54 -40.0 71.3 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.397 -178.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -64.97 -40.22 94.65 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 -179.283 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 64' ' ' ASN . . . . . 0.528 ' O ' ' N ' ' B' ' 66' ' ' ASP . 12.5 t-20 -61.17 -40.7 94.89 Favored 'General case' 0 CA--C 1.493 -1.241 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 176.717 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 65' ' ' GLY . . . . . 0.48 ' O ' ' NZ ' ' B' ' 30' ' ' LYS . . . -66.39 57.77 0.18 Allowed Glycine 0 N--CA 1.442 -0.946 0 N-CA-C 109.511 -1.436 . . . . 0.0 109.511 176.126 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.528 ' N ' ' O ' ' B' ' 64' ' ' ASN . 32.3 t70 -50.72 -29.08 10.42 Favored 'General case' 0 CA--C 1.504 -0.826 0 C-N-CA 123.204 0.601 . . . . 0.0 109.961 -178.393 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -169.81 -45.66 0.03 OUTLIER Glycine 0 C--N 1.307 -1.078 0 N-CA-C 108.914 -1.675 . . . . 0.0 108.914 177.535 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -110.66 153.36 25.34 Favored 'General case' 0 N--CA 1.437 -1.103 0 CA-C-N 114.341 -0.929 . . . . 0.0 108.514 174.171 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.4 p -126.05 129.94 72.24 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.231 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 173.57 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.409 ' CG ' ' N ' ' B' ' 71' ' ' PHE . 0.0 OUTLIER -93.96 177.06 6.11 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.172 -0.611 . . . . 0.0 111.374 -172.66 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.531 ' CD1' HD13 ' B' ' 12' ' ' ILE . 65.3 t80 -61.23 -45.47 94.42 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.624 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.447 ' HG3' HG11 ' A' ' 83' ' ' VAL . 25.6 mt-30 -61.03 -42.94 99.43 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 178.411 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.435 ' O ' HG12 ' B' ' 76' ' ' VAL . 97.9 mt-10 -66.74 -42.09 86.79 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.881 176.575 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 74' ' ' TYR . . . . . 0.437 ' CE1' HD11 ' B' ' 36' ' ' LEU . 34.7 t80 -61.12 -48.56 81.06 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.826 179.487 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.68 HG21 ' CB ' ' A' ' 79' ' ' ALA . 20.9 m -63.34 -42.49 96.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 119.994 -0.683 . . . . 0.0 111.884 -177.18 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.455 HG13 HD11 ' B' ' 61' ' ' LEU . 15.0 p -64.96 -38.67 83.39 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.717 0 C-N-CA 120.49 -0.484 . . . . 0.0 110.25 -179.038 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.563 HD12 HG12 ' B' ' 57' ' ' VAL . 62.2 tp -61.37 -48.35 81.69 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.505 179.199 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.765 HG12 HD23 ' B' ' 37' ' ' LEU . 21.5 m -69.61 -42.12 80.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 C-N-CA 120.002 -0.679 . . . . 0.0 110.354 177.191 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.782 ' CB ' HG21 ' A' ' 75' ' ' VAL . . . -61.71 -43.55 98.63 Favored 'General case' 0 CA--C 1.507 -0.691 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.95 -179.458 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.34 -48.4 76.85 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.81 -178.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 97.8 mt -63.7 -41.87 98.05 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.725 175.625 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.496 HG23 ' CE2' ' B' ' 44' ' ' PHE . 18.3 m -61.69 -50.57 71.94 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.789 -178.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 14.6 p -63.76 -43.43 97.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 120.43 -0.508 . . . . 0.0 110.245 178.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.22 -50.99 71.12 Favored 'General case' 0 CA--C 1.515 -0.385 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.056 179.463 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 85' ' ' MET . . . . . 0.464 ' SD ' ' HD1' ' B' ' 44' ' ' PHE . 0.0 OUTLIER -68.27 -48.19 65.69 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.979 179.098 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 86' ' ' ASN . . . . . 0.418 ' HB2' ' O ' ' B' ' 82' ' ' THR . 1.8 t-20 -63.89 -39.01 93.18 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.297 -176.713 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -48.87 -33.85 11.45 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.895 177.805 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -58.16 -44.85 88.14 Favored 'General case' 0 C--O 1.217 -0.611 0 C-N-CA 120.347 -0.541 . . . . 0.0 109.83 177.433 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 . . . . . 0 C--N 1.318 -0.765 0 C-N-CA 120.379 -0.529 . . . . 0.0 110.41 176.642 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 C--O 1.238 0.466 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -59.73 -47.19 86.63 Favored 'General case' 0 CA--C 1.502 -0.869 0 C-N-CA 120.534 -0.467 . . . . 0.0 110.439 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.817 HD21 HG21 ' B' ' 14' ' ' VAL . 2.4 mm? -62.21 -43.48 98.72 Favored 'General case' 0 C--N 1.306 -1.323 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 -179.398 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.404 ' O ' ' HG3' ' A' ' 9' ' ' GLU . 67.5 mt-10 -64.85 -47.43 77.98 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.245 177.722 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.471 ' O ' ' N ' ' A' ' 10' ' ' THR . 11.7 m -61.09 -43.66 98.55 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.96 176.603 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.67 -48.62 74.74 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 176.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.48 ' HG2' ' O ' ' A' ' 4' ' ' LEU . 97.1 mmm -64.45 -41.52 96.49 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.766 177.118 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.404 ' HG3' ' O ' ' A' ' 5' ' ' GLU . 99.3 mt-10 -63.07 -36.58 84.07 Favored 'General case' 0 C--O 1.24 0.592 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 177.506 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.471 ' N ' ' O ' ' A' ' 6' ' ' THR . 11.7 m -59.39 -45.46 91.41 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 176.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.819 HD23 HD22 ' B' ' 4' ' ' LEU . 91.5 mt -62.79 -41.0 99.06 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.745 176.181 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.531 HD13 ' CD1' ' A' ' 71' ' ' PHE . 23.5 mm -62.08 -44.03 98.48 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.631 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.022 178.273 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -59.76 -44.41 93.87 Favored 'General case' 0 C--N 1.317 -0.845 0 C-N-CA 120.13 -0.628 . . . . 0.0 109.916 -177.375 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.907 HG21 HD11 ' B' ' 4' ' ' LEU . 76.6 t -64.64 -49.16 81.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 C-N-CA 120.458 -0.497 . . . . 0.0 110.475 175.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -59.88 -47.6 85.11 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.534 0.683 . . . . 0.0 109.793 179.282 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -63.5 -45.84 88.83 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 114.99 -1.005 . . . . 0.0 110.105 -179.484 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.31 -50.03 74.23 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.39 179.319 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 -68.17 -36.21 79.26 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 120.515 -0.474 . . . . 0.0 111.073 178.361 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.3 m -54.53 -42.6 71.07 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 108.463 -0.939 . . . . 0.0 108.463 173.27 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.54 -36.94 92.51 Favored Glycine 0 N--CA 1.445 -0.727 0 N-CA-C 110.743 -0.943 . . . . 0.0 110.743 178.416 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -63.23 -42.12 99.2 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -175.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.635 ' CD ' ' H ' ' A' ' 29' ' ' SER . 0.2 OUTLIER -96.49 -70.04 0.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.066 -0.654 . . . . 0.0 112.395 -174.929 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -172.25 175.53 45.45 Favored Glycine 0 C--N 1.32 -0.33 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 -179.619 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.8 t70 64.95 147.94 0.03 OUTLIER 'General case' 0 CA--C 1.512 -0.489 0 C-N-CA 122.917 0.487 . . . . 0.0 110.262 -176.771 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.453 ' HD2' ' CE1' ' A' ' 26' ' ' TYR . 19.4 pttm -61.11 -40.9 95.53 Favored 'General case' 0 C--N 1.31 -1.144 0 C-N-CA 120.51 -0.476 . . . . 0.0 110.395 179.586 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.453 ' CE1' ' HD2' ' A' ' 25' ' ' LYS . 0.1 OUTLIER -152.86 92.63 1.67 Allowed 'General case' 0 C--O 1.242 0.698 0 C-N-CA 120.608 -0.437 . . . . 0.0 111.575 170.957 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.487 ' NZ ' ' OE1' ' A' ' 68' ' ' GLU . 7.1 mmmm -152.6 153.06 32.61 Favored 'General case' 0 C--N 1.314 -0.969 0 N-CA-C 106.608 -1.627 . . . . 0.0 106.608 166.401 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.521 ' HB3' HG13 ' A' ' 69' ' ' VAL . 46.1 tp -126.53 132.5 51.35 Favored 'General case' 0 C--N 1.306 -1.304 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 -176.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.635 ' H ' ' CD ' ' A' ' 22' ' ' GLU . 50.8 m -84.03 162.08 20.49 Favored 'General case' 0 C--N 1.311 -1.088 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 179.151 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.521 ' NZ ' ' O ' ' A' ' 64' ' ' ASN . 0.2 OUTLIER -71.43 -5.96 36.71 Favored 'General case' 0 C--N 1.309 -1.173 0 C-N-CA 120.229 -0.588 . . . . 0.0 110.572 -177.019 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.51 ' HG3' ' HB2' ' A' ' 29' ' ' SER . 1.4 pttt -75.29 -64.73 1.0 Allowed 'General case' 0 N--CA 1.473 0.723 0 CA-C-O 120.887 0.375 . . . . 0.0 110.104 179.043 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.409 ' HB2' HD11 ' A' ' 28' ' ' LEU . 67.8 mm-40 -61.07 -32.02 71.68 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.304 176.191 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.732 HD21 ' CD2' ' A' ' 77' ' ' LEU . 3.2 tm? -58.91 -49.1 79.09 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.308 -177.37 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.487 ' NZ ' ' O ' ' A' ' 30' ' ' LYS . 6.2 mttp -65.68 -44.7 85.41 Favored 'General case' 0 CA--C 1.512 -0.483 0 C-N-CA 119.757 -0.777 . . . . 0.0 110.657 178.362 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -68.09 -47.73 67.45 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.878 -174.439 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.585 ' C ' HD12 ' A' ' 36' ' ' LEU . 0.4 OUTLIER -69.75 -41.1 75.65 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 179.713 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.641 HD13 ' C ' ' A' ' 37' ' ' LEU . 2.7 tm? -61.74 -47.96 82.89 Favored 'General case' 0 C--O 1.238 0.463 0 C-N-CA 120.249 -0.581 . . . . 0.0 111.106 -176.113 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -65.96 -43.31 88.32 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 119.881 -0.728 . . . . 0.0 109.825 177.417 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 96.1 m -62.36 -50.55 71.13 Favored 'General case' 0 N--CA 1.442 -0.852 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.513 179.445 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.804 ' HB3' HD12 ' B' ' 4' ' ' LEU . 64.1 mm-40 -70.88 -39.13 73.0 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 120.512 -0.475 . . . . 0.0 112.126 -176.262 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.1 mp -108.7 33.84 3.99 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -177.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 46' ' ' ASP . 67.7 m -52.75 -39.75 62.48 Favored 'General case' 0 C--N 1.319 -0.752 0 C-N-CA 120.217 -0.593 . . . . 0.0 110.758 -177.524 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.21 -48.95 64.48 Favored Glycine 0 CA--C 1.529 0.924 0 N-CA-C 111.75 -0.54 . . . . 0.0 111.75 178.076 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.616 ' CZ ' HG23 ' A' ' 82' ' ' THR . 0.3 OUTLIER -65.47 -42.92 91.76 Favored 'General case' 0 CA--C 1.508 -0.648 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 178.482 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.487 HD12 ' OE1' ' A' ' 48' ' ' GLN . 47.9 tp -62.56 -44.54 96.09 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 114.708 -1.133 . . . . 0.0 111.189 177.166 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.564 ' O ' ' NZ ' ' A' ' 49' ' ' LYS . 22.7 t70 -59.95 -42.6 94.43 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.234 -0.439 . . . . 0.0 112.028 -178.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.63 ' CB ' ' SD ' ' A' ' 85' ' ' MET . . . -61.2 -24.05 66.05 Favored 'General case' 0 C--N 1.311 -1.068 0 N-CA-C 112.659 0.615 . . . . 0.0 112.659 -174.569 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.487 ' OE1' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -129.36 37.45 4.01 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 -175.47 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.564 ' NZ ' ' O ' ' A' ' 46' ' ' ASP . 37.1 mtmm -61.04 -37.7 83.53 Favored 'General case' 0 C--O 1.237 0.427 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 177.729 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.7 p-10 -84.81 10.54 11.23 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.489 -1.232 . . . . 0.0 111.413 -176.22 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.457 ' HB ' ' HB2' ' A' ' 48' ' ' GLN . 46.1 t -109.64 132.25 58.34 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 CA-C-O 120.673 0.273 . . . . 0.0 110.356 -175.278 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.456 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 25.4 t70 -58.95 -35.47 73.18 Favored 'General case' 0 CA--C 1.504 -0.813 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.762 -178.398 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.851 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -49.28 -27.56 3.92 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.049 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 1.7 p -58.43 -44.47 88.85 Favored 'Isoleucine or valine' 0 C--O 1.242 0.681 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.079 178.641 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.479 ' O ' ' N ' ' A' ' 59' ' ' LYS . 27.4 t70 -64.19 -45.47 88.18 Favored 'General case' 0 CA--C 1.496 -1.129 0 CA-C-O 121.279 0.562 . . . . 0.0 109.598 174.28 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.456 ' NZ ' ' OD2' ' A' ' 52' ' ' ASP . 6.9 mmtp -62.75 -39.66 94.83 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.574 -174.378 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.851 HG23 ' O ' ' A' ' 53' ' ' ALA . 93.2 t -59.68 -46.83 92.94 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.985 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 176.377 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 15.3 mmm -64.88 -44.15 90.59 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.283 177.108 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 55' ' ' ASP . 1.0 OUTLIER -66.2 -43.29 87.2 Favored 'General case' 0 N--CA 1.443 -0.803 0 CA-C-N 114.641 -1.163 . . . . 0.0 111.621 -173.678 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -57.24 -43.24 82.74 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 177.426 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.967 ' HG ' HD13 ' A' ' 77' ' ' LEU . 1.1 mm? -64.73 -40.01 94.6 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.89 172.167 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.468 ' O ' ' N ' ' A' ' 65' ' ' GLY . 24.7 t70 -64.8 -34.64 78.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.95 -176.571 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -54.14 -38.12 65.14 Favored 'General case' 0 CA--C 1.503 -0.858 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 178.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.521 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . 12.9 t-20 -102.64 35.99 2.31 Favored 'General case' 0 N--CA 1.438 -1.026 0 CA-C-N 115.045 -0.979 . . . . 0.0 109.197 173.059 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.48 ' HA2' ' HG3' ' A' ' 30' ' ' LYS . . . -83.91 7.48 70.28 Favored Glycine 0 C--N 1.319 -0.366 0 N-CA-C 108.623 -1.791 . . . . 0.0 108.623 176.323 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -57.55 -44.71 85.42 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.581 -0.809 . . . . 0.0 110.611 -177.095 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -140.0 -75.11 0.05 OUTLIER Glycine 0 C--O 1.239 0.433 0 N-CA-C 111.6 -0.6 . . . . 0.0 111.6 -179.706 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.487 ' OE1' ' NZ ' ' A' ' 27' ' ' LYS . 3.5 mp0 -122.78 -178.6 3.98 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.434 0.635 . . . . 0.0 111.557 -176.228 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.589 HG23 ' CB ' ' A' ' 73' ' ' GLU . 1.6 p -128.23 131.89 68.81 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.217 0 N-CA-C 107.507 -1.294 . . . . 0.0 107.507 171.887 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.85 179.91 5.32 Favored 'General case' 0 C--N 1.318 -0.802 0 C-N-CA 120.294 -0.563 . . . . 0.0 110.627 -178.557 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.531 ' CD1' HD13 ' A' ' 12' ' ' ILE . 40.8 t80 -61.83 -44.09 97.54 Favored 'General case' 0 C--N 1.308 -1.203 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.885 179.651 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.416 ' O ' HG22 ' A' ' 75' ' ' VAL . 34.6 mt-30 -58.22 -44.24 88.09 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 120.285 -0.566 . . . . 0.0 110.691 177.489 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.589 ' CB ' HG23 ' A' ' 69' ' ' VAL . 87.1 mt-10 -65.71 -40.68 92.48 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.295 0.569 . . . . 0.0 109.922 175.312 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -60.74 -47.82 84.56 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.178 -179.234 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.589 HG11 ' HB2' ' B' ' 79' ' ' ALA . 21.1 m -64.03 -43.15 97.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 C-N-CA 119.854 -0.738 . . . . 0.0 111.548 -179.687 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.462 HG12 ' HA ' ' A' ' 73' ' ' GLU . 11.3 p -65.38 -34.35 69.88 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.451 0 C-N-CA 119.857 -0.737 . . . . 0.0 109.948 178.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.967 HD13 ' HG ' ' A' ' 61' ' ' LEU . 51.0 tp -60.78 -49.34 77.88 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 178.193 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.512 HG12 HD23 ' A' ' 37' ' ' LEU . 31.8 m -71.54 -41.52 72.28 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.64 0 C-N-CA 120.184 -0.607 . . . . 0.0 111.033 176.797 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.634 ' CB ' HG21 ' B' ' 75' ' ' VAL . . . -63.11 -38.67 92.1 Favored 'General case' 0 CA--C 1.506 -0.746 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.874 178.568 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.656 ' HB1' HG22 ' A' ' 57' ' ' VAL . . . -57.88 -47.54 82.46 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 -179.404 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.702 ' HG ' HG11 ' A' ' 57' ' ' VAL . 87.5 mt -62.8 -42.55 99.76 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 121.249 0.547 . . . . 0.0 109.58 173.832 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.616 HG23 ' CZ ' ' A' ' 44' ' ' PHE . 10.9 m -62.27 -50.44 71.67 Favored 'General case' 0 N--CA 1.445 -0.725 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.721 -177.107 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.446 HG11 ' HG3' ' B' ' 72' ' ' GLN . 11.7 p -63.9 -44.13 97.95 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.335 0 C-N-CA 120.039 -0.664 . . . . 0.0 109.908 178.413 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.84 -53.51 57.39 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.998 -179.097 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.63 ' SD ' ' CB ' ' A' ' 47' ' ' ALA . 16.5 ttp -67.16 -43.93 81.03 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 119.498 -0.881 . . . . 0.0 110.159 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.609 ' ND2' HG13 ' B' ' 12' ' ' ILE . 83.5 m-20 -62.9 -35.37 79.81 Favored 'General case' 0 CA--C 1.502 -0.892 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.076 -178.253 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -45.77 -39.22 7.96 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 176.474 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -63.6 -39.38 94.23 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.761 179.274 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -56.58 -46.57 80.71 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 121.256 0.55 . . . . 0.0 109.891 -178.459 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 23.2 m95 . . . . . 0 C--N 1.302 -1.472 0 CA-C-N 115.227 -0.897 . . . . 0.0 112.518 -173.031 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 2' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 40' ' ' GLU . 6.1 m . . . . . 0 C--O 1.24 0.586 0 CA-C-O 120.512 0.196 . . . . 0.0 111.505 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -49.04 -17.85 0.24 Allowed 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.631 176.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.907 HD11 HG21 ' A' ' 14' ' ' VAL . 73.0 mt -60.52 -41.08 93.68 Favored 'General case' 0 N--CA 1.435 -1.216 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 -177.511 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 5' ' ' GLU . . . . . 0.416 ' HG2' ' HD2' ' A' ' 44' ' ' PHE . 96.1 mt-10 -61.82 -43.09 99.54 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 119.503 -0.879 . . . . 0.0 108.963 178.086 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 6' ' ' THR . . . . . 0.409 ' O ' ' N ' ' B' ' 10' ' ' THR . 6.8 m -62.62 -45.27 93.64 Favored 'General case' 0 N--CA 1.443 -0.8 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 175.782 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.07 -46.3 88.62 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.02 178.361 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 8' ' ' MET . . . . . 0.616 ' SD ' HD11 ' A' ' 11' ' ' LEU . 94.0 mmm -63.29 -41.7 99.01 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.372 -0.531 . . . . 0.0 110.181 178.534 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -62.12 -37.27 84.51 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.358 173.51 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.409 ' N ' ' O ' ' B' ' 6' ' ' THR . 7.5 m -60.79 -43.66 97.81 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.428 -0.952 . . . . 0.0 108.428 176.723 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.69 HD23 HD13 ' A' ' 4' ' ' LEU . 82.7 mt -62.58 -41.5 98.97 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.949 174.214 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.609 HG13 ' ND2' ' A' ' 86' ' ' ASN . 14.7 mm -62.3 -43.86 98.52 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.661 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.384 -178.688 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -60.32 -44.78 95.15 Favored 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 120.183 -0.607 . . . . 0.0 110.726 -175.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.817 HG21 HD21 ' A' ' 4' ' ' LEU . 89.3 t -65.0 -48.19 85.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 C-N-CA 120.521 -0.472 . . . . 0.0 110.573 176.41 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.538 ' CE1' ' HB2' ' B' ' 28' ' ' LEU . 82.5 t80 -60.68 -47.94 83.99 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.444 0.64 . . . . 0.0 110.04 178.453 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.537 ' ND1' ' O ' ' B' ' 25' ' ' LYS . 6.2 t60 -62.71 -43.72 98.08 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-N 115.142 -0.936 . . . . 0.0 109.507 179.576 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.481 ' O ' ' HG2' ' B' ' 21' ' ' LYS . . . -60.27 -51.17 70.7 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.366 175.457 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.443 ' HA ' ' CG ' ' B' ' 21' ' ' LYS . 72.3 m-70 -65.44 -34.93 79.45 Favored 'General case' 0 CA--C 1.503 -0.859 0 C-N-CA 120.663 -0.415 . . . . 0.0 111.524 177.824 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.476 ' HA ' ' O ' ' B' ' 27' ' ' LYS . 43.8 m -56.62 -41.33 76.91 Favored 'General case' 0 N--CA 1.447 -0.588 0 N-CA-C 107.861 -1.163 . . . . 0.0 107.861 173.546 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.72 -41.18 99.04 Favored Glycine 0 N--CA 1.442 -0.901 0 N-CA-C 110.015 -1.234 . . . . 0.0 110.015 174.092 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 21' ' ' LYS . . . . . 0.481 ' HG2' ' O ' ' B' ' 17' ' ' ALA . 75.6 mmtt -63.27 -43.2 98.61 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 179.577 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -67.0 -41.48 86.63 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.816 176.28 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 122.64 28.14 1.48 Allowed Glycine 0 CA--C 1.523 0.556 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.712 176.518 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -133.08 158.17 43.44 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-N 117.075 0.438 . . . . 0.0 111.258 179.143 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.556 ' H ' ' HD3' ' B' ' 25' ' ' LYS . 0.2 OUTLIER -64.58 -46.92 80.66 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 175.434 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.462 ' H ' ' HG2' ' B' ' 25' ' ' LYS . 8.3 p90 -155.16 91.6 1.36 Allowed 'General case' 0 C--O 1.241 0.614 0 CA-C-O 121.325 0.583 . . . . 0.0 111.563 169.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.476 ' O ' ' HA ' ' B' ' 19' ' ' SER . 7.4 mmmm -158.29 153.5 25.61 Favored 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 105.746 -1.946 . . . . 0.0 105.746 167.705 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.538 ' HB2' ' CE1' ' B' ' 15' ' ' PHE . 50.2 tp -129.49 128.8 43.61 Favored 'General case' 0 C--N 1.301 -1.521 0 C-N-CA 119.961 -0.696 . . . . 0.0 110.712 179.542 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 8.2 p -83.71 165.65 18.73 Favored 'General case' 0 C--N 1.308 -1.214 0 CA-C-O 121.003 0.43 . . . . 0.0 111.289 178.337 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.46 ' HZ3' ' HA2' ' B' ' 65' ' ' GLY . 0.8 OUTLIER -73.19 -4.13 30.99 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.371 -176.223 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.483 ' H ' ' HG3' ' B' ' 31' ' ' LYS . 0.0 OUTLIER -82.65 -68.06 0.73 Allowed 'General case' 0 N--CA 1.474 0.745 0 CA-C-O 121.454 0.645 . . . . 0.0 110.013 177.342 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.439 ' HB2' HD11 ' B' ' 28' ' ' LEU . 74.1 mm-40 -56.12 -38.41 70.74 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.008 -0.996 . . . . 0.0 110.176 -179.688 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.931 HD21 HD23 ' B' ' 77' ' ' LEU . 2.4 tm? -59.76 -45.29 92.71 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.31 -174.507 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 49.3 mttp -63.7 -43.89 95.28 Favored 'General case' 0 C--N 1.318 -0.774 0 C-N-CA 119.59 -0.844 . . . . 0.0 109.591 -178.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.461 ' O ' ' OG1' ' B' ' 39' ' ' THR . 68.1 mt-10 -65.53 -46.07 81.02 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.256 -0.884 . . . . 0.0 109.123 179.554 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.785 HD21 ' CE1' ' B' ' 74' ' ' TYR . 2.6 tp -61.73 -49.58 75.88 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 115.34 -0.846 . . . . 0.0 111.667 176.824 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.824 HD21 HD12 ' B' ' 81' ' ' LEU . 2.6 tm? -63.12 -46.22 88.31 Favored 'General case' 0 C--N 1.317 -0.824 0 C-N-CA 120.808 -0.357 . . . . 0.0 111.384 -176.385 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -66.3 -40.9 90.3 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 119.768 -0.773 . . . . 0.0 110.505 177.406 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.461 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 72.4 m -64.43 -54.6 30.09 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.699 -0.682 . . . . 0.0 112.673 -177.752 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -70.64 -43.18 69.75 Favored 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 112.478 0.547 . . . . 0.0 112.478 -176.208 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.417 ' HB3' ' HB2' ' B' ' 44' ' ' PHE . 9.4 mp -102.01 35.0 2.49 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.488 -178.108 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.56 -37.85 71.12 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.926 -177.422 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.07 -46.56 64.95 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.676 -0.969 . . . . 0.0 110.676 176.312 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.643 ' HA ' ' SD ' ' B' ' 85' ' ' MET . 51.4 m-85 -63.57 -45.53 90.04 Favored 'General case' 0 CA--C 1.509 -0.615 0 CA-C-O 121.249 0.547 . . . . 0.0 110.161 177.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.498 ' O ' HD12 ' B' ' 45' ' ' LEU . 3.5 tp -61.59 -49.28 77.26 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.912 179.8 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -64.17 -43.26 95.66 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.373 -178.118 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.59 -46.62 89.08 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.072 -175.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.27 38.19 2.63 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 -174.607 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.432 ' HG3' ' O ' ' B' ' 45' ' ' LEU . 30.0 mtmt -63.01 -39.31 94.38 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 175.297 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -82.35 -1.78 50.82 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 113.925 -1.488 . . . . 0.0 110.712 -169.393 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 16.8 t -90.65 133.05 33.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.76 -0.654 . . . . 0.0 109.716 179.711 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.459 ' OD2' ' NZ ' ' B' ' 56' ' ' LYS . 32.0 t70 -57.04 -38.02 72.59 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 121.0 0.429 . . . . 0.0 111.089 -177.249 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.765 ' O ' HG23 ' B' ' 57' ' ' VAL . . . -53.34 -26.33 18.6 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.717 -179.217 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.526 ' O ' ' HG2' ' B' ' 58' ' ' MET . 0.8 OUTLIER -58.76 -45.28 91.3 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 C-N-CA 120.224 -0.59 . . . . 0.0 109.752 179.256 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.51 ' O ' ' HB2' ' B' ' 59' ' ' LYS . 34.2 t70 -61.19 -46.46 90.4 Favored 'General case' 0 CA--C 1.489 -1.381 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 174.337 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 56' ' ' LYS . . . . . 0.459 ' NZ ' ' OD2' ' B' ' 52' ' ' ASP . 34.6 mmtm -61.41 -39.7 91.72 Favored 'General case' 0 N--CA 1.435 -1.195 0 CA-C-N 114.848 -1.069 . . . . 0.0 109.226 -175.398 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.779 HG11 ' HG ' ' B' ' 81' ' ' LEU . 72.3 t -61.06 -48.72 87.77 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.739 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.01 178.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 58' ' ' MET . . . . . 0.544 ' O ' ' N ' ' B' ' 62' ' ' ASP . 9.3 ptm -68.12 -37.36 81.02 Favored 'General case' 0 CA--C 1.518 -0.273 0 C-N-CA 120.192 -0.603 . . . . 0.0 109.944 175.462 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 59' ' ' LYS . . . . . 0.51 ' HB2' ' O ' ' B' ' 55' ' ' ASP . 3.2 tptm -59.89 -42.88 94.78 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.545 -178.86 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 74.2 tt0 -61.6 -41.28 97.22 Favored 'General case' 0 C--O 1.241 0.609 0 N-CA-C 108.852 -0.795 . . . . 0.0 108.852 176.59 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.789 ' HG ' HD13 ' B' ' 77' ' ' LEU . 2.1 mm? -65.91 -33.37 75.67 Favored 'General case' 0 C--O 1.242 0.701 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.585 172.699 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.544 ' N ' ' O ' ' B' ' 58' ' ' MET . 34.1 t70 -61.67 -38.99 89.84 Favored 'General case' 0 CA--C 1.513 -0.474 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.693 178.144 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -62.59 -42.84 99.8 Favored 'General case' 0 CA--C 1.505 -0.766 0 N-CA-C 107.124 -1.436 . . . . 0.0 107.124 174.052 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 64' ' ' ASN . . . . . 0.494 ' HB3' ' O ' ' B' ' 61' ' ' LEU . 24.6 t-20 -62.43 -7.1 3.95 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 114.103 -1.408 . . . . 0.0 110.114 174.77 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 65' ' ' GLY . . . . . 0.46 ' HA2' ' HZ3' ' B' ' 30' ' ' LYS . . . -69.48 9.16 2.6 Favored Glycine 0 CA--C 1.522 0.498 0 N-CA-C 110.206 -1.158 . . . . 0.0 110.206 174.357 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.481 ' H ' ' C ' ' B' ' 64' ' ' ASN . 29.3 t70 -59.4 -40.98 88.34 Favored 'General case' 0 CA--C 1.513 -0.455 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 177.854 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -147.93 -82.11 0.04 OUTLIER Glycine 0 C--N 1.32 -0.319 0 N-CA-C 110.207 -1.157 . . . . 0.0 110.207 179.038 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.462 ' OE1' ' NZ ' ' B' ' 27' ' ' LYS . 98.3 mt-10 -138.17 173.71 11.33 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 123.094 0.558 . . . . 0.0 109.986 179.781 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.492 HG13 ' HB3' ' B' ' 28' ' ' LEU . 0.5 OUTLIER -106.8 124.79 62.67 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.794 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 173.099 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.598 ' CG ' ' N ' ' B' ' 71' ' ' PHE . 0.0 OUTLIER -93.36 178.75 5.62 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.208 -178.801 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.598 ' N ' ' CG ' ' B' ' 70' ' ' ASP . 65.2 t80 -60.53 -45.45 93.8 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.708 -0.397 . . . . 0.0 111.025 -176.693 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.458 ' O ' HG22 ' B' ' 75' ' ' VAL . 35.0 mt-30 -60.42 -40.87 92.56 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 177.822 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.49 ' O ' HG22 ' B' ' 76' ' ' VAL . 94.3 mt-10 -68.13 -38.96 82.78 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 114.742 -1.117 . . . . 0.0 110.034 178.19 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 74' ' ' TYR . . . . . 0.785 ' CE1' HD21 ' B' ' 36' ' ' LEU . 25.7 t80 -61.83 -45.96 91.57 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.79 -0.641 . . . . 0.0 112.066 177.347 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.634 HG21 ' CB ' ' A' ' 79' ' ' ALA . 25.6 m -64.48 -40.2 88.22 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 C-N-CA 120.146 -0.622 . . . . 0.0 111.694 -176.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.539 ' O ' ' N ' ' B' ' 80' ' ' ALA . 34.7 m -64.44 -38.15 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.787 0 C-N-CA 120.124 -0.63 . . . . 0.0 111.127 179.694 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.931 HD23 HD21 ' B' ' 33' ' ' LEU . 49.1 tp -60.96 -48.93 79.55 Favored 'General case' 0 CA--C 1.511 -0.528 0 C-N-CA 120.378 -0.529 . . . . 0.0 110.661 179.359 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.632 HG12 HD23 ' B' ' 37' ' ' LEU . 32.7 m -68.9 -41.63 82.11 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.956 0 C-N-CA 119.938 -0.705 . . . . 0.0 110.607 178.151 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.589 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -61.96 -39.22 91.41 Favored 'General case' 0 CA--C 1.503 -0.832 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.014 176.617 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 80' ' ' ALA . . . . . 0.636 ' HB3' HG13 ' B' ' 57' ' ' VAL . . . -56.31 -49.24 74.87 Favored 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.264 -177.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.824 HD12 HD21 ' B' ' 37' ' ' LEU . 85.7 mt -62.95 -41.98 99.67 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-O 121.404 0.621 . . . . 0.0 109.347 174.252 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.828 HG22 ' OD1' ' B' ' 86' ' ' ASN . 8.2 m -62.15 -50.71 70.76 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.525 -177.45 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 12.0 p -63.03 -43.59 99.13 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.47 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -58.4 -50.88 72.09 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.159 177.833 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 85' ' ' MET . . . . . 0.643 ' SD ' ' HA ' ' B' ' 44' ' ' PHE . 27.1 ttt -68.77 -39.94 79.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.769 178.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 86' ' ' ASN . . . . . 0.828 ' OD1' HG22 ' B' ' 82' ' ' THR . 5.6 m120 -56.52 -31.11 63.8 Favored 'General case' 0 CA--C 1.501 -0.94 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.541 -177.567 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -61.09 -41.18 96.19 Favored 'General case' 0 C--N 1.306 -1.319 0 C-N-CA 119.699 -0.801 . . . . 0.0 108.965 176.427 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -70.72 -42.17 70.94 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.948 175.681 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 89' ' ' PHE . . . . . 0.496 ' HB2' ' O ' ' B' ' 86' ' ' ASN . 1.3 m-85 . . . . . 0 N--CA 1.487 1.379 0 C-N-CA 123.645 0.778 . . . . 0.0 112.874 -175.017 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.403 ' C ' ' N ' ' A' ' 4' ' ' LEU . 4.7 m . . . . . 0 N--CA 1.441 -0.881 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.521 ' H ' ' CD ' ' A' ' 3' ' ' GLU . 56.0 mp0 -53.7 -23.82 12.71 Favored 'General case' 0 C--N 1.315 -0.925 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 175.741 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.899 HD23 ' CB ' ' B' ' 40' ' ' GLU . 2.3 tp -59.89 -46.68 88.55 Favored 'General case' 0 N--CA 1.435 -1.181 0 CA-C-N 114.407 -1.269 . . . . 0.0 110.252 -178.696 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -67.76 -45.06 76.01 Favored 'General case' 0 CA--C 1.515 -0.368 0 C-N-CA 119.467 -0.893 . . . . 0.0 109.801 177.696 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.7 m -64.24 -44.64 91.22 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.618 -179.4 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.413 ' N ' ' O ' ' A' ' 3' ' ' GLU . . . -57.36 -42.71 82.59 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-O 120.907 0.384 . . . . 0.0 110.085 -178.68 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.735 ' SD ' HD11 ' B' ' 11' ' ' LEU . 97.8 mmm -63.12 -42.45 99.53 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.296 -0.562 . . . . 0.0 110.042 178.619 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -63.54 -37.27 86.68 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-O 121.192 0.52 . . . . 0.0 110.041 174.312 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.3 m -59.68 -44.21 93.72 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 175.841 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.42 ' CD2' HD13 ' B' ' 4' ' ' LEU . 50.2 mt -63.52 -39.43 94.41 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.838 175.304 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.702 HG21 ' OD1' ' B' ' 86' ' ' ASN . 20.5 mm -62.02 -43.45 97.65 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.757 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 177.724 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 -59.79 -40.84 89.64 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 120.545 -0.462 . . . . 0.0 110.736 -177.159 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.688 HG21 HD23 ' B' ' 4' ' ' LEU . 97.1 t -62.61 -47.32 93.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 174.685 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.502 ' CE2' ' HB2' ' A' ' 28' ' ' LEU . 48.3 t80 -60.44 -46.85 88.54 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.641 0.734 . . . . 0.0 110.17 177.109 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.485 ' N ' ' O ' ' A' ' 12' ' ' ILE . 1.3 t-80 -58.79 -41.8 87.57 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.026 -0.988 . . . . 0.0 110.505 -176.711 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.09 -49.3 77.42 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.666 179.525 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.486 ' ND1' ' HB3' ' A' ' 32' ' ' GLU . 93.4 m-70 -66.88 -39.47 87.52 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 112.265 0.469 . . . . 0.0 112.265 -177.512 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 48.8 m -55.59 -41.21 73.05 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 120.062 -0.655 . . . . 0.0 109.591 177.536 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.37 -39.21 97.47 Favored Glycine 0 N--CA 1.453 -0.222 0 N-CA-C 110.443 -1.063 . . . . 0.0 110.443 176.361 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -65.29 -46.37 80.66 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 121.04 -0.264 . . . . 0.0 110.438 179.686 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.536 ' CD ' ' H ' ' A' ' 29' ' ' SER . 98.8 mt-10 -70.13 -38.79 75.63 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.53 179.696 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 117.54 -9.66 14.72 Favored Glycine 0 N--CA 1.464 0.52 0 C-N-CA 121.371 -0.442 . . . . 0.0 113.436 172.688 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -70.7 155.3 40.93 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 117.71 0.755 . . . . 0.0 110.365 178.415 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.6 mtmt -61.25 -45.6 93.86 Favored 'General case' 0 CA--C 1.487 -1.455 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 178.605 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -159.38 94.53 1.18 Allowed 'General case' 0 N--CA 1.432 -1.328 0 CA-C-N 114.876 -1.057 . . . . 0.0 110.624 173.005 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.558 ' HE2' ' HB2' ' A' ' 68' ' ' GLU . 1.9 mmtm -160.39 158.22 29.17 Favored 'General case' 0 C--N 1.314 -0.946 0 C-N-CA 124.299 1.039 . . . . 0.0 108.53 173.269 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.502 ' HB2' ' CE2' ' A' ' 15' ' ' PHE . 52.7 tp -124.78 134.31 52.83 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 173.328 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.552 ' HB2' ' HG3' ' A' ' 31' ' ' LYS . 4.2 m -105.2 172.87 6.56 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 -179.686 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.532 ' CG ' ' HA2' ' A' ' 65' ' ' GLY . 1.0 OUTLIER -78.47 -5.11 51.59 Favored 'General case' 0 C--N 1.31 -1.114 0 C-N-CA 119.898 -0.721 . . . . 0.0 111.669 -175.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.552 ' HG3' ' HB2' ' A' ' 29' ' ' SER . 0.1 OUTLIER -65.75 -66.37 0.56 Allowed 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 175.452 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.486 ' HB3' ' ND1' ' A' ' 18' ' ' HIS . 72.8 mm-40 -67.47 -42.69 82.59 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 114.9 -1.045 . . . . 0.0 110.781 179.559 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.634 ' C ' HD13 ' A' ' 33' ' ' LEU . 3.0 tm? -60.63 -45.33 94.45 Favored 'General case' 0 CA--C 1.51 -0.574 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.926 -172.545 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 40.5 mtpt -62.67 -40.18 96.27 Favored 'General case' 0 N--CA 1.441 -0.925 0 C-N-CA 119.854 -0.738 . . . . 0.0 110.136 179.087 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.416 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 72.9 mt-10 -68.39 -50.83 50.21 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-O 121.038 0.447 . . . . 0.0 110.541 174.585 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.6 ' C ' HD12 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -62.97 -44.91 94.75 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 -175.422 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.663 HD13 ' C ' ' A' ' 37' ' ' LEU . 3.1 tm? -61.27 -48.02 83.35 Favored 'General case' 0 C--N 1.315 -0.916 0 C-N-CA 119.362 -0.935 . . . . 0.0 110.576 -176.507 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.428 ' HA ' HD22 ' A' ' 45' ' ' LEU . 10.6 pt20 -66.88 -42.8 84.96 Favored 'General case' 0 C--O 1.244 0.773 0 CA-C-O 121.408 0.623 . . . . 0.0 110.605 176.454 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 94.6 m -64.95 -47.9 75.98 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.58 -0.736 . . . . 0.0 112.514 -179.263 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -79.88 -37.59 34.47 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -175.161 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.57 HD22 HD21 ' A' ' 37' ' ' LEU . 10.3 mp -101.14 31.88 3.47 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-O 120.931 0.396 . . . . 0.0 110.557 -179.592 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.3 m -51.58 -38.98 56.97 Favored 'General case' 0 C--N 1.308 -1.199 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.509 -177.192 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.32 -49.21 53.68 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 111.677 -0.569 . . . . 0.0 111.677 178.012 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.61 ' CZ ' HG23 ' A' ' 82' ' ' THR . 3.6 m-85 -65.18 -42.33 93.73 Favored 'General case' 0 CA--C 1.493 -1.246 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 177.722 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.525 HD13 ' CE ' ' A' ' 58' ' ' MET . 40.6 tp -59.04 -47.25 85.92 Favored 'General case' 0 N--CA 1.43 -1.428 0 CA-C-N 114.965 -1.016 . . . . 0.0 110.82 178.003 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -64.81 -42.68 94.8 Favored 'General case' 0 C--N 1.316 -0.851 0 C-N-CA 120.438 -0.505 . . . . 0.0 111.493 174.392 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.733 ' HB1' ' CE ' ' A' ' 85' ' ' MET . . . -58.67 -48.91 79.45 Favored 'General case' 0 C--O 1.239 0.54 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.509 -176.721 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.536 ' CD ' HG11 ' A' ' 54' ' ' VAL . 0.0 OUTLIER -107.02 15.95 24.73 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -178.2 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.464 ' HB2' ' O ' ' A' ' 45' ' ' LEU . 43.8 tttp -55.7 -41.88 74.45 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 179.396 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -60.71 -25.04 66.13 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 114.479 -1.237 . . . . 0.0 111.573 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.444 ' C ' ' H ' ' A' ' 53' ' ' ALA . 51.6 t -64.97 -22.43 31.4 Favored 'Isoleucine or valine' 0 C--O 1.24 0.567 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 -178.163 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.476 ' OD1' ' NZ ' ' A' ' 56' ' ' LYS . 2.8 t70 64.67 -43.0 0.3 Allowed 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.689 -179.259 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.706 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -52.06 -26.69 11.58 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 179.77 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.536 HG11 ' CD ' ' A' ' 48' ' ' GLN . 27.1 m -60.91 -44.83 98.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 115.311 -0.858 . . . . 0.0 110.984 177.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.444 ' N ' HG23 ' A' ' 54' ' ' VAL . 23.8 t70 -60.04 -45.84 91.49 Favored 'General case' 0 CA--C 1.5 -0.976 0 CA-C-O 122.203 1.001 . . . . 0.0 108.695 174.416 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.476 ' NZ ' ' OD1' ' A' ' 52' ' ' ASP . 43.7 mttp -63.16 -35.08 79.11 Favored 'General case' 0 C--N 1.294 -1.82 0 CA-C-N 113.862 -1.517 . . . . 0.0 110.858 179.424 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 53' ' ' ALA . 92.9 t -62.58 -45.61 98.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 172.666 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.525 ' CE ' HD13 ' A' ' 45' ' ' LEU . 57.8 mtt -61.14 -41.39 96.65 Favored 'General case' 0 CA--C 1.498 -1.023 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 177.538 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.0 tptp -62.82 -39.73 95.22 Favored 'General case' 0 C--N 1.302 -1.465 0 CA-C-N 113.683 -1.599 . . . . 0.0 109.161 179.438 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' A' ' 56' ' ' LYS . 38.2 tp10 -59.64 -45.87 90.7 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 176.312 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.617 ' HG ' HD22 ' A' ' 77' ' ' LEU . 2.3 mm? -64.03 -38.67 91.92 Favored 'General case' 0 C--O 1.245 0.842 0 CA-C-N 115.362 -0.836 . . . . 0.0 110.173 173.083 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' A' ' 58' ' ' MET . 22.2 t70 -60.49 -34.94 74.78 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.056 -176.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.431 ' C ' ' H ' ' A' ' 65' ' ' GLY . 97.8 mt-10 -53.27 -45.29 68.81 Favored 'General case' 0 CA--C 1.506 -0.74 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 178.322 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.515 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . 16.0 t-20 -79.8 37.33 0.35 Allowed 'General case' 0 C--N 1.311 -1.07 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.45 176.03 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.532 ' HA2' ' CG ' ' A' ' 30' ' ' LYS . . . -93.37 -7.47 61.99 Favored Glycine 0 CA--C 1.51 -0.272 0 N-CA-C 108.979 -1.649 . . . . 0.0 108.979 177.547 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -62.77 -42.1 99.53 Favored 'General case' 0 CA--C 1.503 -0.832 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 172.848 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -114.62 -155.82 11.26 Favored Glycine 0 N--CA 1.437 -1.29 0 CA-C-N 114.465 -1.243 . . . . 0.0 110.362 178.553 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.558 ' HB2' ' HE2' ' A' ' 27' ' ' LYS . 1.1 mp0 -90.65 171.06 9.64 Favored 'General case' 0 C--N 1.308 -1.234 0 C-N-CA 122.397 0.279 . . . . 0.0 110.918 -178.737 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.586 HG23 ' HB2' ' A' ' 73' ' ' GLU . 2.2 p -120.25 128.63 75.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 172.249 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -96.6 -176.94 3.76 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-O 121.131 0.491 . . . . 0.0 110.965 -175.708 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.657 ' O ' HG22 ' A' ' 75' ' ' VAL . 42.2 t80 -61.22 -43.77 98.35 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.414 179.388 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -59.03 -42.32 89.91 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.321 179.617 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.586 ' HB2' HG23 ' A' ' 69' ' ' VAL . 90.6 mt-10 -69.07 -41.15 77.93 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 119.443 -0.903 . . . . 0.0 110.653 171.643 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.478 ' OH ' HD21 ' B' ' 4' ' ' LEU . 47.1 t80 -60.41 -48.49 81.54 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.52 -176.61 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.863 HG21 ' CB ' ' B' ' 79' ' ' ALA . 16.9 m -63.39 -43.99 98.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 C-N-CA 120.453 -0.499 . . . . 0.0 112.139 -179.188 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 14.6 p -65.89 -37.5 80.01 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 C-N-CA 120.172 -0.611 . . . . 0.0 110.41 178.726 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.617 HD22 ' HG ' ' A' ' 61' ' ' LEU . 47.5 tp -60.29 -48.81 80.15 Favored 'General case' 0 CA--C 1.505 -0.763 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.583 179.02 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.67 HG23 ' SD ' ' B' ' 8' ' ' MET . 29.9 m -69.54 -40.57 79.79 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.962 0 C-N-CA 119.944 -0.702 . . . . 0.0 110.78 176.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.704 ' CB ' HG21 ' B' ' 75' ' ' VAL . . . -63.34 -42.46 98.93 Favored 'General case' 0 CA--C 1.507 -0.676 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.949 179.209 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.05 -48.57 79.72 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.493 0.663 . . . . 0.0 109.313 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.508 HD13 HD11 ' A' ' 37' ' ' LEU . 92.3 mt -63.58 -43.61 96.48 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-N 115.014 -0.994 . . . . 0.0 109.557 177.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.61 HG23 ' CZ ' ' A' ' 44' ' ' PHE . 22.3 m -64.19 -49.11 73.32 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 112.886 0.699 . . . . 0.0 112.886 178.652 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 12.8 p -61.57 -42.43 94.02 Favored 'Isoleucine or valine' 0 C--O 1.24 0.583 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.742 -174.548 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -54.79 -52.03 63.9 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.333 178.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.733 ' CE ' ' HB1' ' A' ' 47' ' ' ALA . 15.3 tpt -68.91 -42.39 76.91 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.605 177.687 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.637 ' OD1' HG21 ' B' ' 12' ' ' ILE . 0.6 OUTLIER -61.71 -32.36 72.57 Favored 'General case' 0 CA--C 1.507 -0.687 0 C-N-CA 119.815 -0.754 . . . . 0.0 111.68 -174.247 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 18.5 t30 -56.02 -40.62 73.69 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 175.188 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.45 ' HB3' ' O ' ' A' ' 85' ' ' MET . 92.2 t80 -60.0 -45.61 92.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.061 172.591 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 18.7 m-30 -59.22 -43.66 92.31 Favored 'General case' 0 CA--C 1.513 -0.449 0 C-N-CA 120.791 -0.363 . . . . 0.0 110.354 178.529 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.681 ' HZ2' HG23 ' B' ' 12' ' ' ILE . 9.1 m0 . . . . . 0 C--N 1.317 -0.825 0 C-N-CA 120.121 -0.632 . . . . 0.0 109.669 -179.402 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 2' ' ' SER . . . . . 0.422 ' C ' ' N ' ' B' ' 4' ' ' LEU . 75.1 m . . . . . 0 CA--C 1.516 -0.353 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 3' ' ' GLU . . . . . 0.469 ' H ' ' CD ' ' B' ' 3' ' ' GLU . 1.4 mp0 -54.03 -17.73 2.91 Favored 'General case' 0 CA--C 1.516 -0.342 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 174.02 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.688 HD23 HG21 ' A' ' 14' ' ' VAL . 0.2 OUTLIER -59.05 -42.71 90.93 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 114.385 -1.279 . . . . 0.0 108.113 179.525 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -65.67 -44.39 86.4 Favored 'General case' 0 N--CA 1.442 -0.839 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.891 176.357 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 7.3 m -61.83 -46.0 91.36 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 121.243 0.544 . . . . 0.0 109.599 178.657 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.75 -45.78 91.16 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.541 176.808 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 8' ' ' MET . . . . . 0.67 ' SD ' HG23 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -62.2 -43.24 99.28 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 177.812 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 9' ' ' GLU . . . . . 0.446 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 5.5 mm-40 -61.01 -38.95 87.88 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.782 177.036 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.41 HG21 ' HB3' ' A' ' 3' ' ' GLU . 9.8 m -59.66 -44.47 93.55 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 178.629 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.735 HD11 ' SD ' ' A' ' 8' ' ' MET . 0.3 OUTLIER -61.92 -41.45 97.94 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 173.758 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.681 HG23 ' HZ2' ' A' ' 90' ' ' TRP . 18.5 mm -62.47 -43.67 98.54 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.432 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.156 179.587 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 13' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 40.0 m-80 -58.62 -44.12 89.88 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.534 -173.879 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.673 HG21 HD22 ' A' ' 4' ' ' LEU . 94.7 t -64.05 -47.94 88.09 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 C-N-CA 120.054 -0.659 . . . . 0.0 110.324 176.8 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -59.92 -47.91 83.84 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 177.344 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -61.04 -46.41 90.8 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.962 -178.579 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.98 -48.3 78.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.944 0.402 . . . . 0.0 110.341 178.381 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.423 ' HB3' ' CD1' ' B' ' 28' ' ' LEU . 75.0 m-70 -71.73 -29.3 64.38 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.203 -0.453 . . . . 0.0 112.052 179.497 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.452 ' HA ' ' O ' ' B' ' 27' ' ' LYS . 52.1 m -52.8 -46.22 67.57 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 -174.08 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.08 -16.28 59.62 Favored Glycine 0 CA--C 1.526 0.761 0 C-N-CA 121.007 -0.616 . . . . 0.0 112.095 -177.476 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -64.11 -40.04 95.36 Favored 'General case' 0 C--O 1.242 0.706 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 -172.477 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.487 ' HG3' ' H ' ' B' ' 23' ' ' GLY . 0.0 OUTLIER -85.63 -69.79 0.64 Allowed 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 113.928 1.085 . . . . 0.0 113.928 -171.682 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 23' ' ' GLY . . . . . 0.487 ' H ' ' HG3' ' B' ' 22' ' ' GLU . . . -169.35 -52.65 0.03 OUTLIER Glycine 0 CA--C 1.526 0.731 0 N-CA-C 112.09 -0.404 . . . . 0.0 112.09 -177.513 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 24' ' ' ASP . . . . . 0.402 ' HB3' ' HB2' ' B' ' 27' ' ' LYS . 9.0 t70 -71.8 145.82 48.44 Favored 'General case' 0 CA--C 1.506 -0.728 0 O-C-N 122.387 -0.478 . . . . 0.0 109.956 179.18 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.641 ' NZ ' ' OH ' ' B' ' 26' ' ' TYR . 14.8 mtmm -61.83 -40.71 96.25 Favored 'General case' 0 CA--C 1.489 -1.401 0 C-N-CA 119.587 -0.845 . . . . 0.0 108.88 179.057 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.641 ' OH ' ' NZ ' ' B' ' 25' ' ' LYS . 0.0 OUTLIER -125.22 90.32 3.21 Favored 'General case' 0 N--CA 1.429 -1.494 0 C-N-CA 119.111 -1.035 . . . . 0.0 110.769 179.283 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.497 ' HG2' ' O ' ' B' ' 26' ' ' TYR . 5.5 mmtp -165.55 159.06 16.3 Favored 'General case' 0 CA--C 1.491 -1.29 0 CA-C-N 114.274 -1.33 . . . . 0.0 108.685 168.658 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.571 HD21 HD23 ' B' ' 36' ' ' LEU . 40.9 tp -124.56 128.07 48.37 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 107.574 -1.269 . . . . 0.0 107.574 169.668 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.434 ' HA ' ' O ' ' B' ' 67' ' ' GLY . 0.3 OUTLIER -85.14 159.08 20.22 Favored 'General case' 0 C--N 1.31 -1.121 0 C-N-CA 119.859 -0.736 . . . . 0.0 109.761 -179.734 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.648 ' HG3' ' CA ' ' B' ' 65' ' ' GLY . 31.5 mmtm -74.39 -8.87 57.73 Favored 'General case' 0 CA--C 1.508 -0.672 0 C-N-CA 119.02 -1.072 . . . . 0.0 111.061 -177.643 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 3.4 ptpt -69.05 -47.02 66.41 Favored 'General case' 0 N--CA 1.442 -0.862 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 175.026 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.492 ' O ' ' HB3' ' B' ' 36' ' ' LEU . 69.5 mm-40 -71.33 -37.49 71.72 Favored 'General case' 0 N--CA 1.439 -1.004 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.495 172.886 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.894 HD11 ' CD2' ' B' ' 77' ' ' LEU . 3.1 tm? -58.27 -47.5 83.4 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.987 -172.633 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -64.39 -43.22 95.13 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 118.882 -1.127 . . . . 0.0 110.699 177.391 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.41 ' O ' ' HG2' ' B' ' 38' ' ' GLN . 61.1 mm-40 -61.36 -48.63 80.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.409 0.624 . . . . 0.0 109.674 178.161 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.842 HD21 ' CE1' ' B' ' 74' ' ' TYR . 1.7 tp -62.9 -52.39 63.25 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-N 115.307 -0.86 . . . . 0.0 112.042 177.868 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.572 HD23 HG12 ' B' ' 78' ' ' VAL . 2.6 tm? -63.33 -45.01 93.27 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.375 -175.521 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.41 ' HG2' ' O ' ' B' ' 35' ' ' GLU . 12.3 pt20 -65.88 -38.01 87.66 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.169 0.509 . . . . 0.0 110.319 178.261 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.409 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 52.2 m -73.11 -61.0 1.97 Allowed 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.311 -0.859 . . . . 0.0 112.364 -175.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.899 ' CB ' HD23 ' A' ' 4' ' ' LEU . 80.3 mm-40 -69.97 -42.11 73.56 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.176 0.436 . . . . 0.0 112.176 -172.655 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.471 ' HB2' HD22 ' B' ' 37' ' ' LEU . 4.1 mp -99.24 32.88 2.58 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.312 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.61 -35.0 67.77 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.589 -178.628 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -64.13 -50.36 60.84 Favored Glycine 0 N--CA 1.446 -0.652 0 N-CA-C 110.408 -1.077 . . . . 0.0 110.408 176.569 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.657 ' CZ ' HG23 ' B' ' 82' ' ' THR . 46.1 m-85 -62.65 -45.69 91.66 Favored 'General case' 0 CA--C 1.503 -0.837 0 CA-C-O 121.181 0.515 . . . . 0.0 109.762 177.429 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.475 ' O ' HD12 ' B' ' 45' ' ' LEU . 3.1 tp -60.5 -48.85 79.95 Favored 'General case' 0 N--CA 1.436 -1.171 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.947 -179.49 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -65.86 -40.68 91.92 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 112.481 0.548 . . . . 0.0 112.481 176.001 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 47' ' ' ALA . . . . . 0.612 ' CB ' ' SD ' ' B' ' 85' ' ' MET . . . -59.42 -37.09 77.17 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.829 -0.623 . . . . 0.0 112.61 -171.568 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.482 HE22 ' CG2' ' B' ' 54' ' ' VAL . 0.9 OUTLIER -123.48 37.17 4.47 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 -174.817 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.543 ' HA ' HG11 ' B' ' 54' ' ' VAL . 7.0 mtmp? -62.24 -39.15 91.87 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 107.798 -1.186 . . . . 0.0 107.798 173.651 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -64.38 -23.39 67.27 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 113.919 -1.491 . . . . 0.0 111.151 179.552 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 51' ' ' VAL . . . . . 0.506 ' C ' ' H ' ' B' ' 53' ' ' ALA . 40.8 t -71.92 -18.4 19.58 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 CA-C-O 120.664 0.269 . . . . 0.0 110.279 -179.689 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 16.1 t70 66.22 -38.34 0.29 Allowed 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.667 -178.378 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.506 ' H ' ' C ' ' B' ' 51' ' ' VAL . . . -53.54 -26.18 20.06 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.551 -179.318 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.543 HG11 ' HA ' ' B' ' 49' ' ' LYS . 7.6 p -58.23 -43.74 86.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 177.37 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.496 ' OD1' ' NZ ' ' B' ' 59' ' ' LYS . 9.7 t70 -59.7 -45.17 92.95 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.081 174.108 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 56' ' ' LYS . . . . . 0.595 ' N ' ' CD ' ' B' ' 56' ' ' LYS . 6.2 mptt -63.56 -42.77 98.34 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.958 -179.651 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.527 HG12 ' CD1' ' B' ' 77' ' ' LEU . 91.7 t -62.06 -45.5 98.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 176.552 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 58' ' ' MET . . . . . 0.531 ' SD ' HD12 ' B' ' 37' ' ' LEU . 14.7 mmm -61.05 -41.46 96.64 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 175.671 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 59' ' ' LYS . . . . . 0.496 ' NZ ' ' OD1' ' B' ' 55' ' ' ASP . 0.0 OUTLIER -62.88 -43.18 99.49 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 114.561 -1.2 . . . . 0.0 110.525 -179.665 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -60.34 -41.15 93.0 Favored 'General case' 0 C--N 1.31 -1.128 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 -178.109 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.735 ' HG ' HD13 ' B' ' 77' ' ' LEU . 1.2 mm? -62.78 -34.7 77.8 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.353 176.479 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.42 ' HB2' ' O ' ' B' ' 59' ' ' LYS . 39.3 m-20 -60.97 -34.57 74.97 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.506 178.405 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -57.16 -42.2 80.6 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 -179.412 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 64' ' ' ASN . . . . . 0.468 ' O ' ' NZ ' ' B' ' 30' ' ' LYS . 42.7 t30 -104.82 20.92 17.87 Favored 'General case' 0 C--N 1.309 -1.193 0 N-CA-C 107.906 -1.146 . . . . 0.0 107.906 175.902 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 65' ' ' GLY . . . . . 0.648 ' CA ' ' HG3' ' B' ' 30' ' ' LYS . . . -113.64 30.94 6.89 Favored Glycine 0 N--CA 1.437 -1.241 0 CA-C-N 115.004 -0.998 . . . . 0.0 111.586 -169.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -63.46 -34.38 77.64 Favored 'General case' 0 C--N 1.314 -0.963 0 C-N-CA 119.969 -0.692 . . . . 0.0 109.367 176.459 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 67' ' ' GLY . . . . . 0.545 ' O ' ' N ' ' B' ' 30' ' ' LYS . . . -159.27 -58.67 0.01 OUTLIER Glycine 0 C--O 1.223 -0.574 0 C-N-CA 120.226 -0.987 . . . . 0.0 113.425 -178.601 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.566 ' O ' ' NZ ' ' B' ' 30' ' ' LYS . 46.5 mt-10 -95.95 153.78 17.58 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 -171.422 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.521 HG11 ' HB2' ' B' ' 33' ' ' LEU . 2.4 p -144.4 134.16 19.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 168.518 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -98.34 179.85 4.59 Favored 'General case' 0 C--N 1.32 -0.717 0 C-N-CA 120.399 -0.52 . . . . 0.0 110.014 -179.36 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.62 ' O ' HG13 ' B' ' 75' ' ' VAL . 53.0 t80 -61.85 -44.6 96.49 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.327 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.5 ' O ' HG22 ' B' ' 75' ' ' VAL . 48.4 mt-30 -60.16 -46.16 90.63 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.06 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.567 ' O ' HG12 ' B' ' 76' ' ' VAL . 42.0 tt0 -66.85 -40.18 87.84 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-O 121.669 0.747 . . . . 0.0 109.952 175.105 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 74' ' ' TYR . . . . . 0.845 ' OH ' HD21 ' A' ' 4' ' ' LEU . 36.6 t80 -60.08 -47.8 84.35 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.524 179.309 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.704 HG21 ' CB ' ' A' ' 79' ' ' ALA . 14.0 m -63.39 -42.32 95.9 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 C-N-CA 119.852 -0.739 . . . . 0.0 111.514 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.567 HG12 ' O ' ' B' ' 73' ' ' GLU . 2.4 p -63.44 -40.89 90.72 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.506 0 C-N-CA 120.353 -0.539 . . . . 0.0 110.818 -178.058 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.894 ' CD2' HD11 ' B' ' 33' ' ' LEU . 44.9 tp -61.06 -50.32 73.79 Favored 'General case' 0 CA--C 1.511 -0.523 0 C-N-CA 120.806 -0.358 . . . . 0.0 111.286 178.81 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.572 HG12 HD23 ' B' ' 37' ' ' LEU . 18.4 m -66.68 -42.14 89.16 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.072 0 C-N-CA 119.899 -0.721 . . . . 0.0 110.14 178.361 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.863 ' CB ' HG21 ' A' ' 75' ' ' VAL . . . -63.04 -42.45 99.75 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.249 178.516 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 80' ' ' ALA . . . . . 0.441 ' O ' HG12 ' B' ' 83' ' ' VAL . . . -56.35 -49.12 75.3 Favored 'General case' 0 CA--C 1.513 -0.46 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 -179.424 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.456 HD12 HD21 ' B' ' 37' ' ' LEU . 94.4 mt -63.7 -41.75 98.08 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.796 175.332 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.657 HG23 ' CZ ' ' B' ' 44' ' ' PHE . 21.0 m -61.5 -50.11 74.04 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.077 -178.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.441 HG12 ' O ' ' B' ' 80' ' ' ALA . 13.4 p -61.13 -43.75 96.93 Favored 'Isoleucine or valine' 0 C--O 1.237 0.43 0 C-N-CA 120.824 -0.351 . . . . 0.0 111.081 -177.167 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -58.74 -52.8 64.14 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 120.261 -0.576 . . . . 0.0 110.759 179.661 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 85' ' ' MET . . . . . 0.612 ' SD ' ' CB ' ' B' ' 47' ' ' ALA . 33.2 ttp -69.41 -40.19 77.47 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 120.207 -0.597 . . . . 0.0 109.808 178.22 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 86' ' ' ASN . . . . . 0.702 ' OD1' HG21 ' A' ' 12' ' ' ILE . 2.9 t30 -60.33 -39.18 86.16 Favored 'General case' 0 CA--C 1.506 -0.729 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.354 -175.881 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -44.99 -28.74 0.72 Allowed 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.797 -178.325 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -65.09 -37.92 89.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.651 176.803 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 89' ' ' PHE . . . . . 0.495 ' N ' ' O ' ' B' ' 86' ' ' ASN . 16.0 m-85 . . . . . 0 N--CA 1.473 0.697 0 CA-C-O 120.91 0.386 . . . . 0.0 111.095 -179.346 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.435 ' C ' ' N ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.242 0.691 0 CA-C-O 121.071 0.462 . . . . 0.0 111.061 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.44 ' H ' ' CD ' ' A' ' 3' ' ' GLU . 1.9 mp0 -51.66 -19.01 1.36 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.012 -0.994 . . . . 0.0 108.555 173.753 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.554 HD23 HG21 ' B' ' 14' ' ' VAL . 0.1 OUTLIER -58.19 -49.41 77.14 Favored 'General case' 0 N--CA 1.442 -0.857 0 CA-C-N 114.959 -1.018 . . . . 0.0 109.289 -175.889 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -67.03 -44.48 80.14 Favored 'General case' 0 N--CA 1.44 -0.948 0 C-N-CA 120.334 -0.546 . . . . 0.0 110.228 -179.532 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.1 m -61.39 -44.88 96.39 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.167 -0.469 . . . . 0.0 109.949 177.724 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.91 -47.41 77.5 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 178.08 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.637 ' SD ' HD11 ' B' ' 11' ' ' LEU . 92.2 mmm -65.32 -41.32 94.12 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.279 -0.568 . . . . 0.0 110.365 178.231 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -64.34 -37.95 89.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.03 0.443 . . . . 0.0 109.979 177.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 17.0 m -58.1 -44.34 87.6 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 177.305 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.666 HD11 ' SD ' ' B' ' 8' ' ' MET . 81.9 mt -63.02 -40.67 98.45 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.19 174.29 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.535 HD13 ' CD1' ' A' ' 71' ' ' PHE . 21.7 mm -61.78 -43.88 97.94 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.646 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 178.124 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -59.68 -45.76 91.1 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.722 -176.167 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.874 HG21 HD11 ' B' ' 4' ' ' LEU . 82.9 t -65.09 -46.55 90.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.005 0.431 . . . . 0.0 110.186 176.358 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.4 ' CE2' ' HB2' ' A' ' 28' ' ' LEU . 61.7 t80 -59.13 -49.51 77.6 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.667 0.746 . . . . 0.0 109.331 177.467 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.461 ' N ' ' O ' ' A' ' 12' ' ' ILE . 2.2 t60 -66.13 -41.99 89.72 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 114.678 -1.146 . . . . 0.0 111.318 -177.756 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.405 ' O ' ' HD3' ' A' ' 21' ' ' LYS . . . -55.84 -45.96 78.26 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 179.648 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.458 ' O ' ' HB2' ' A' ' 21' ' ' LYS . 72.6 m-70 -69.33 -32.92 72.34 Favored 'General case' 0 CA--C 1.513 -0.453 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.297 177.514 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.466 ' HB3' ' O ' ' A' ' 25' ' ' LYS . 23.2 m -51.38 -37.61 49.04 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 174.575 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.39 -34.23 88.77 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.072 -0.811 . . . . 0.0 111.072 176.737 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.458 ' HB2' ' O ' ' A' ' 18' ' ' HIS . 1.4 mptp? -61.04 -68.19 0.33 Allowed 'General case' 0 C--O 1.233 0.212 0 CA-C-O 120.772 0.32 . . . . 0.0 110.797 -178.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.49 -46.73 88.78 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.276 -177.364 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 101.69 9.01 44.55 Favored Glycine 0 CA--C 1.533 1.175 0 N-CA-C 115.442 0.937 . . . . 0.0 115.442 169.831 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -59.13 -51.43 70.03 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-N 119.242 1.521 . . . . 0.0 109.4 177.695 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.514 ' HE2' ' CZ ' ' A' ' 26' ' ' TYR . 20.5 ptmt 160.21 -141.91 0.0 OUTLIER 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 104.431 -2.433 . . . . 0.0 104.431 -178.619 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.514 ' CZ ' ' HE2' ' A' ' 25' ' ' LYS . 18.2 p90 -76.45 92.54 3.41 Favored 'General case' 0 N--CA 1.442 -0.845 0 C-N-CA 117.416 -1.714 . . . . 0.0 109.472 170.633 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.422 ' HA ' ' HD2' ' A' ' 27' ' ' LYS . 3.1 mmmm -156.14 166.62 32.92 Favored 'General case' 0 CA--C 1.495 -1.166 0 N-CA-C 107.544 -1.28 . . . . 0.0 107.544 175.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.426 ' HB3' ' O ' ' A' ' 69' ' ' VAL . 43.7 tp -125.99 125.99 43.59 Favored 'General case' 0 N--CA 1.429 -1.492 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 170.415 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.8 p -90.12 157.61 17.68 Favored 'General case' 0 C--N 1.3 -1.562 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 177.039 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.572 ' HG3' ' HA2' ' A' ' 65' ' ' GLY . 2.0 mmmm -68.6 -6.27 24.73 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 119.225 -0.99 . . . . 0.0 109.159 177.246 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -63.86 -44.26 93.66 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 114.585 -1.188 . . . . 0.0 108.364 177.74 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -99.49 -25.18 14.53 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 113.839 -1.528 . . . . 0.0 111.076 -173.691 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.701 HD11 ' CD2' ' A' ' 77' ' ' LEU . 2.9 tm? -60.67 -43.53 97.56 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.045 -175.805 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.424 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 72.9 mmtt -62.27 -43.88 97.81 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.347 -0.541 . . . . 0.0 109.892 176.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -60.87 -60.23 4.12 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.242 -0.435 . . . . 0.0 112.006 -179.619 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.1 pp -66.51 -40.34 89.14 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 119.692 -0.803 . . . . 0.0 111.816 -175.77 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.665 HD21 HD22 ' A' ' 41' ' ' LEU . 3.0 tm? -61.77 -46.99 87.2 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.257 -0.577 . . . . 0.0 110.378 -177.246 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.507 ' HB2' HD22 ' A' ' 45' ' ' LEU . 17.2 pt20 -67.72 -41.47 83.44 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 119.646 -0.822 . . . . 0.0 110.371 175.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 96.1 m -63.99 -52.84 57.72 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.757 -178.212 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.641 ' HB3' HD12 ' B' ' 4' ' ' LEU . 69.0 mm-40 -76.22 -41.01 50.68 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.036 -0.529 . . . . 0.0 112.323 -171.064 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.665 HD22 HD21 ' A' ' 37' ' ' LEU . 10.4 mp -94.14 45.3 1.13 Allowed 'General case' 0 C--O 1.242 0.681 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.745 -177.201 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -56.24 -37.33 69.6 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.152 -173.832 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.41 -47.33 63.72 Favored Glycine 0 C--O 1.242 0.614 0 N-CA-C 111.65 -0.58 . . . . 0.0 111.65 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.471 ' CD1' ' SD ' ' A' ' 85' ' ' MET . 80.3 m-85 -68.02 -39.15 83.2 Favored 'General case' 0 CA--C 1.501 -0.918 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 177.789 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.507 HD22 ' HB2' ' A' ' 38' ' ' GLN . 50.2 tp -60.64 -44.6 96.19 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.393 176.366 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.405 ' HA ' ' HZ2' ' A' ' 49' ' ' LYS . 25.9 t70 -59.92 -47.94 83.71 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.511 177.677 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.587 ' HB3' ' SD ' ' A' ' 85' ' ' MET . . . -70.48 -38.57 74.39 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.711 179.342 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.444 ' HG3' HD22 ' A' ' 81' ' ' LEU . 27.3 mm100 -76.03 10.09 2.1 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 -174.095 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.405 ' HZ2' ' HA ' ' A' ' 46' ' ' ASP . 41.2 mttp -64.01 -42.41 97.15 Favored 'General case' 0 C--N 1.313 -1.02 0 N-CA-C 112.508 0.558 . . . . 0.0 112.508 177.177 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -117.73 37.61 3.88 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 -177.104 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.642 ' O ' HG12 ' A' ' 54' ' ' VAL . 74.5 t -115.73 136.07 53.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 -179.161 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.409 ' O ' ' HG2' ' A' ' 56' ' ' LYS . 36.1 t70 -62.19 -37.97 87.33 Favored 'General case' 0 C--O 1.246 0.896 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.426 -175.705 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.424 ' H ' HG12 ' A' ' 51' ' ' VAL . . . -58.45 -41.11 84.4 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.502 -0.772 . . . . 0.0 112.462 -172.753 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.642 HG12 ' O ' ' A' ' 51' ' ' VAL . 13.0 p -54.93 -42.86 65.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 C-N-CA 120.189 -0.604 . . . . 0.0 110.561 -175.017 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.445 ' HB3' ' HZ2' ' A' ' 56' ' ' LYS . 15.4 t70 -58.55 -49.47 77.32 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.954 0.407 . . . . 0.0 110.928 177.508 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.445 ' HZ2' ' HB3' ' A' ' 55' ' ' ASP . 34.5 mmtm -66.36 -43.77 85.07 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.367 -177.666 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.645 HG12 HD12 ' A' ' 77' ' ' LEU . 95.6 t -66.1 -44.56 91.79 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 115.458 -0.792 . . . . 0.0 108.978 178.316 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.403 ' CB ' ' O ' ' A' ' 54' ' ' VAL . 53.3 ttp -60.89 -39.12 88.07 Favored 'General case' 0 N--CA 1.431 -1.397 0 CA-C-N 114.61 -1.177 . . . . 0.0 109.615 175.345 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.518 ' O ' ' HG2' ' A' ' 63' ' ' GLU . 0.1 OUTLIER -59.73 -45.15 93.07 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 179.455 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 -61.5 -43.81 98.2 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 123.475 0.484 . . . . 0.0 110.453 -178.666 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.725 ' HG ' HD13 ' A' ' 77' ' ' LEU . 1.3 mm? -62.39 -40.11 95.43 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 175.025 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.479 ' OD2' ' NZ ' ' A' ' 59' ' ' LYS . 11.5 t70 -61.99 -39.92 93.87 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.468 177.186 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.518 ' HG2' ' O ' ' A' ' 59' ' ' LYS . 73.0 mm-40 -56.16 -40.26 73.61 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 179.231 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -90.92 19.45 5.59 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 114.723 -1.126 . . . . 0.0 110.792 176.54 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.572 ' HA2' ' HG3' ' A' ' 30' ' ' LYS . . . -78.97 -6.09 88.82 Favored Glycine 0 C--O 1.237 0.295 0 N-CA-C 108.548 -1.821 . . . . 0.0 108.548 174.216 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -61.76 -37.7 85.25 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-N 114.704 -0.748 . . . . 0.0 109.048 177.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -133.18 -137.71 3.93 Favored Glycine 0 C--O 1.241 0.535 0 N-CA-C 110.559 -1.016 . . . . 0.0 110.559 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -89.78 171.77 9.39 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 -177.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.484 HG23 ' CG ' ' A' ' 73' ' ' GLU . 0.9 OUTLIER -117.81 126.23 74.67 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 172.44 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.57 -178.08 4.78 Favored 'General case' 0 C--N 1.318 -0.795 0 C-N-CA 120.324 -0.55 . . . . 0.0 110.52 -176.876 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.535 ' CD1' HD13 ' A' ' 12' ' ' ILE . 44.9 t80 -61.38 -44.76 96.61 Favored 'General case' 0 C--N 1.305 -1.361 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.091 -179.639 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -60.43 -45.09 94.88 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.851 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.49 ' O ' HG12 ' A' ' 76' ' ' VAL . 61.8 tt0 -65.83 -41.76 91.39 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.476 174.764 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 23.2 t80 -61.43 -48.22 82.17 Favored 'General case' 0 C--O 1.237 0.418 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 178.677 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.838 HG21 ' CB ' ' B' ' 79' ' ' ALA . 33.4 m -64.38 -39.84 86.96 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 C-N-CA 119.662 -0.815 . . . . 0.0 112.162 -177.494 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.49 HG12 ' O ' ' A' ' 73' ' ' GLU . 14.4 p -64.38 -35.36 74.01 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.84 0 C-N-CA 119.889 -0.725 . . . . 0.0 110.128 -179.436 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.725 HD13 ' HG ' ' A' ' 61' ' ' LEU . 53.3 tp -60.96 -49.75 76.18 Favored 'General case' 0 CA--C 1.515 -0.398 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.367 178.754 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.502 HG12 HD23 ' A' ' 37' ' ' LEU . 14.2 m -70.46 -43.67 77.83 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.668 0 C-N-CA 120.147 -0.621 . . . . 0.0 110.821 177.802 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.886 ' CB ' HG21 ' B' ' 75' ' ' VAL . . . -64.27 -41.96 96.67 Favored 'General case' 0 CA--C 1.511 -0.549 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.565 -179.163 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.89 -48.13 80.77 Favored 'General case' 0 CA--C 1.508 -0.658 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 179.566 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.444 HD22 ' HG3' ' A' ' 48' ' ' GLN . 97.0 mt -62.48 -41.7 98.97 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.371 175.102 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.439 ' HA ' ' CE1' ' A' ' 44' ' ' PHE . 20.6 m -61.3 -52.29 65.34 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.967 179.409 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.652 HG11 ' HG3' ' B' ' 72' ' ' GLN . 12.8 p -64.33 -37.84 81.0 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.468 0 C-N-CA 119.566 -0.853 . . . . 0.0 110.412 178.607 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -56.18 -57.94 10.05 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.156 177.579 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.587 ' SD ' ' HB3' ' A' ' 47' ' ' ALA . 80.1 mtp -66.9 -42.94 84.61 Favored 'General case' 0 CA--C 1.515 -0.374 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 176.51 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.472 ' O ' ' N ' ' A' ' 89' ' ' PHE . 7.3 m120 -62.09 -37.12 83.86 Favored 'General case' 0 CA--C 1.501 -0.931 0 C-N-CA 120.744 -0.382 . . . . 0.0 111.061 -176.784 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.408 ' HB2' ' O ' ' A' ' 83' ' ' VAL . 3.6 t-20 -49.24 -37.11 22.16 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 120.9 0.381 . . . . 0.0 110.044 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -61.96 -33.42 74.27 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.313 176.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.48 ' N ' ' HD1' ' A' ' 89' ' ' PHE . 2.1 m-30 -59.64 -43.62 93.79 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 -176.519 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.594 ' CE3' ' CE1' ' B' ' 16' ' ' HIS . 5.5 m95 . . . . . 0 C--N 1.325 -0.463 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 178.014 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 2' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 40' ' ' GLU . 9.4 m . . . . . 0 C--O 1.244 0.807 0 CA-C-O 121.207 0.527 . . . . 0.0 111.679 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 3' ' ' GLU . . . . . 0.623 ' H ' ' CD ' ' B' ' 3' ' ' GLU . 1.9 mp0 -53.65 -17.5 2.25 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.905 178.429 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.874 HD11 HG21 ' A' ' 14' ' ' VAL . 44.9 mt -60.16 -40.93 91.63 Favored 'General case' 0 CA--C 1.504 -0.823 0 N-CA-C 108.976 -0.749 . . . . 0.0 108.976 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -60.02 -42.54 94.55 Favored 'General case' 0 N--CA 1.442 -0.851 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 177.206 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 8.5 m -63.39 -45.12 92.54 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.743 174.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.05 -45.97 82.8 Favored 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 177.129 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 8' ' ' MET . . . . . 0.666 ' SD ' HD11 ' A' ' 11' ' ' LEU . 92.0 mmm -64.25 -41.98 96.71 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.803 177.487 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 9' ' ' GLU . . . . . 0.544 ' O ' ' N ' ' B' ' 13' ' ' ASN . 71.4 mt-10 -63.34 -38.61 91.81 Favored 'General case' 0 C--O 1.222 -0.391 0 C-N-CA 120.073 -0.651 . . . . 0.0 109.267 175.668 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 15.6 m -58.47 -43.72 89.04 Favored 'General case' 0 C--N 1.314 -0.941 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 177.237 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.637 HD11 ' SD ' ' A' ' 8' ' ' MET . 96.4 mt -62.88 -41.48 99.42 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 174.796 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.517 HD13 ' CD1' ' B' ' 71' ' ' PHE . 21.5 mm -62.79 -42.73 97.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 177.119 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 13' ' ' ASN . . . . . 0.544 ' N ' ' O ' ' B' ' 9' ' ' GLU . 96.6 m-20 -58.52 -45.75 88.18 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 -174.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.554 HG21 HD23 ' A' ' 4' ' ' LEU . 85.8 t -64.45 -46.5 92.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 175.84 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.533 ' CE2' ' HB2' ' B' ' 28' ' ' LEU . 52.2 t80 -58.31 -46.46 86.11 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.316 -0.856 . . . . 0.0 109.823 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.594 ' CE1' ' CE3' ' A' ' 90' ' ' TRP . 1.3 t-80 -55.93 -43.87 77.82 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.559 -178.556 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.76 -49.86 76.07 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.151 -178.111 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.695 ' CD2' HD22 ' B' ' 36' ' ' LEU . 96.7 m-70 -67.5 -39.84 85.19 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.098 -0.501 . . . . 0.0 112.318 -176.553 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 67.3 m -57.43 -42.86 83.21 Favored 'General case' 0 C--O 1.233 0.204 0 C-N-CA 120.094 -0.642 . . . . 0.0 109.634 177.318 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.33 -42.25 99.73 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 110.406 -1.078 . . . . 0.0 110.406 177.362 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 12.3 mmtp -65.78 -46.06 80.16 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 122.62 -0.341 . . . . 0.0 111.445 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.531 ' CD ' ' H ' ' B' ' 29' ' ' SER . 99.5 mt-10 -69.08 -39.68 78.89 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.429 178.859 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 118.76 -24.46 8.42 Favored Glycine 0 CA--C 1.523 0.572 0 C-N-CA 121.087 -0.578 . . . . 0.0 113.633 172.376 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -62.8 145.58 54.61 Favored 'General case' 0 CA--C 1.504 -0.815 0 CA-C-N 118.166 0.983 . . . . 0.0 110.079 179.61 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.463 ' O ' ' CE3' ' A' ' 90' ' ' TRP . 0.0 OUTLIER -53.4 -49.35 67.45 Favored 'General case' 0 N--CA 1.448 -0.57 0 O-C-N 123.297 0.373 . . . . 0.0 110.395 -178.614 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.4 ' CE1' ' HB2' ' B' ' 25' ' ' LYS . 0.1 OUTLIER -153.92 94.28 1.74 Allowed 'General case' 0 C--O 1.241 0.655 0 CA-C-O 121.22 0.533 . . . . 0.0 110.82 171.577 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 5.8 mmtm -158.96 164.03 35.96 Favored 'General case' 0 C--N 1.308 -1.21 0 CA-C-N 114.232 -1.349 . . . . 0.0 108.192 172.528 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.533 ' HB2' ' CE2' ' B' ' 15' ' ' PHE . 47.2 tp -124.51 134.84 52.89 Favored 'General case' 0 C--N 1.298 -1.633 0 N-CA-C 107.747 -1.205 . . . . 0.0 107.747 170.307 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.531 ' H ' ' CD ' ' B' ' 22' ' ' GLU . 2.0 m -106.1 160.27 15.44 Favored 'General case' 0 C--N 1.305 -1.351 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 -177.263 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.557 ' NZ ' ' O ' ' B' ' 64' ' ' ASN . 3.0 mmmm -68.34 -6.83 26.41 Favored 'General case' 0 C--N 1.319 -0.728 0 C-N-CA 119.993 -0.683 . . . . 0.0 112.253 -173.872 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.445 ' HD2' ' HG2' ' B' ' 22' ' ' GLU . 0.8 OUTLIER -71.89 -56.86 4.94 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.106 -0.637 . . . . 0.0 110.576 176.848 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.534 ' O ' ' HB3' ' B' ' 36' ' ' LEU . 69.5 mm-40 -72.08 -42.24 66.42 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-O 120.905 0.384 . . . . 0.0 110.676 176.039 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.89 HD21 HD23 ' B' ' 77' ' ' LEU . 2.4 tm? -59.5 -46.76 87.89 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -171.125 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 32.8 mtmt -63.29 -43.94 96.44 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 119.063 -1.055 . . . . 0.0 109.596 -179.236 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.491 ' O ' ' HG2' ' B' ' 38' ' ' GLN . 92.2 mt-10 -73.59 -46.33 47.75 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.298 -0.864 . . . . 0.0 111.777 -178.493 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.695 HD22 ' CD2' ' B' ' 18' ' ' HIS . 0.1 OUTLIER -62.83 -42.94 99.94 Favored 'General case' 0 C--N 1.316 -0.863 0 O-C-N 122.239 -0.288 . . . . 0.0 111.761 178.895 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.742 HD23 HG12 ' B' ' 78' ' ' VAL . 2.6 tm? -60.97 -47.95 84.05 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.701 -177.33 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.491 ' HG2' ' O ' ' B' ' 35' ' ' GLU . 6.4 pt20 -64.41 -40.55 96.0 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 121.179 0.514 . . . . 0.0 109.938 176.769 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.424 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 29.5 m -63.43 -51.87 63.9 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.902 178.374 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -70.67 -40.65 72.86 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.162 0.431 . . . . 0.0 112.162 -177.855 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.642 HD22 HD21 ' B' ' 37' ' ' LEU . 11.0 mp -102.09 31.06 4.11 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.247 -176.54 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.405 ' O ' ' N ' ' B' ' 46' ' ' ASP . 68.0 m -53.36 -38.71 63.57 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 120.486 -0.486 . . . . 0.0 110.717 -178.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -63.36 -48.81 75.55 Favored Glycine 0 C--O 1.244 0.765 0 N-CA-C 110.518 -1.033 . . . . 0.0 110.518 176.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.562 ' CZ ' HG23 ' B' ' 82' ' ' THR . 10.8 m-85 -64.46 -44.37 91.3 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-O 121.089 0.471 . . . . 0.0 110.604 176.324 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.709 ' O ' HD12 ' B' ' 45' ' ' LEU . 1.9 tp -61.95 -45.16 94.87 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.966 177.25 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.466 ' OD1' ' NZ ' ' B' ' 49' ' ' LYS . 20.3 t70 -59.91 -44.85 94.04 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.58 -179.036 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 47' ' ' ALA . . . . . 0.971 ' HB3' ' SD ' ' B' ' 85' ' ' MET . . . -64.85 -24.2 67.47 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-O 121.134 0.492 . . . . 0.0 109.941 173.835 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.533 ' NE2' ' HB ' ' B' ' 51' ' ' VAL . 0.0 OUTLIER -95.07 10.91 33.99 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.679 -0.692 . . . . 0.0 112.783 -176.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.466 ' NZ ' ' OD1' ' B' ' 46' ' ' ASP . 56.7 mttp -58.96 -42.37 89.74 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 119.455 -0.898 . . . . 0.0 111.98 -179.196 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -116.16 35.3 4.57 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 113.183 0.808 . . . . 0.0 113.183 -174.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 51' ' ' VAL . . . . . 0.586 ' O ' HG12 ' B' ' 54' ' ' VAL . 2.1 t -123.82 122.03 63.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 172.689 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.543 ' OD2' ' NZ ' ' B' ' 56' ' ' LYS . 25.0 t70 -63.55 -8.94 10.93 Favored 'General case' 0 C--O 1.245 0.824 0 N-CA-C 112.742 0.645 . . . . 0.0 112.742 -174.617 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.97 -36.98 85.75 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.073 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.586 HG12 ' O ' ' B' ' 51' ' ' VAL . 11.0 p -59.14 -37.85 70.81 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.498 ' O ' ' N ' ' B' ' 59' ' ' LYS . 17.0 t70 -59.18 -41.69 89.07 Favored 'General case' 0 CA--C 1.505 -0.76 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.615 -179.1 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 56' ' ' LYS . . . . . 0.543 ' NZ ' ' OD2' ' B' ' 52' ' ' ASP . 23.1 mmtm -63.18 -44.43 95.44 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.354 -176.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.649 HG11 ' HG ' ' B' ' 81' ' ' LEU . 58.0 t -64.58 -44.57 96.79 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.07 0 CA-C-N 115.409 -0.814 . . . . 0.0 108.982 177.757 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 10.4 mmm -60.49 -41.96 95.32 Favored 'General case' 0 CA--C 1.506 -0.73 0 CA-C-N 115.361 -0.836 . . . . 0.0 108.811 176.803 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 59' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' B' ' 55' ' ' ASP . 0.0 OUTLIER -60.54 -45.19 94.76 Favored 'General case' 0 N--CA 1.437 -1.101 0 CA-C-N 114.717 -1.129 . . . . 0.0 109.634 -179.619 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -59.33 -47.14 86.53 Favored 'General case' 0 C--O 1.238 0.462 0 O-C-N 123.435 0.459 . . . . 0.0 110.377 178.204 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.778 ' HG ' HD13 ' B' ' 77' ' ' LEU . 2.4 mm? -63.62 -39.16 93.66 Favored 'General case' 0 C--N 1.318 -0.794 0 C-N-CA 120.609 -0.436 . . . . 0.0 110.263 175.131 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.443 ' OD2' ' NZ ' ' B' ' 59' ' ' LYS . 23.1 t70 -59.42 -42.64 92.31 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.933 0.397 . . . . 0.0 110.28 176.832 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 63' ' ' GLU . . . . . 0.429 ' HG3' ' O ' ' B' ' 59' ' ' LYS . 85.9 mt-10 -64.0 -37.13 86.28 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 176.162 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 64' ' ' ASN . . . . . 0.557 ' O ' ' NZ ' ' B' ' 30' ' ' LYS . 2.1 m-20 -82.76 36.84 0.5 Allowed 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.274 -0.876 . . . . 0.0 110.535 173.366 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 65' ' ' GLY . . . . . 0.496 ' HA2' ' NZ ' ' B' ' 30' ' ' LYS . . . -102.81 17.86 51.63 Favored Glycine 0 C--N 1.32 -0.306 0 N-CA-C 109.644 -1.382 . . . . 0.0 109.644 178.136 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -59.45 -44.19 93.0 Favored 'General case' 0 CA--C 1.506 -0.735 0 CA-C-O 120.939 0.4 . . . . 0.0 110.141 -179.191 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -156.03 -88.35 0.07 OUTLIER Glycine 0 C--N 1.311 -0.826 0 N-CA-C 110.763 -0.935 . . . . 0.0 110.763 179.25 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -110.52 165.83 11.49 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.173 0.511 . . . . 0.0 112.008 -177.465 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.878 HG23 ' HB2' ' B' ' 73' ' ' GLU . 0.6 OUTLIER -121.79 125.54 73.44 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.096 0 N-CA-C 107.647 -1.242 . . . . 0.0 107.647 170.091 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.531 ' CG ' ' N ' ' B' ' 71' ' ' PHE . 0.7 OUTLIER -92.66 -179.95 5.32 Favored 'General case' 0 C--N 1.311 -1.066 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 -176.512 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.531 ' N ' ' CG ' ' B' ' 70' ' ' ASP . 56.2 t80 -57.79 -41.91 83.08 Favored 'General case' 0 C--N 1.307 -1.276 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 -178.568 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.652 ' HG3' HG11 ' A' ' 83' ' ' VAL . 44.9 mt-30 -58.2 -45.73 87.09 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.705 178.724 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.878 ' HB2' HG23 ' B' ' 69' ' ' VAL . 2.1 mp0 -67.57 -38.0 83.44 Favored 'General case' 0 C--O 1.239 0.513 0 C-N-CA 120.152 -0.619 . . . . 0.0 109.856 174.731 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 74' ' ' TYR . . . . . 0.456 ' OH ' HD21 ' A' ' 4' ' ' LEU . 39.6 t80 -60.94 -48.01 83.79 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.299 -179.297 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.886 HG21 ' CB ' ' A' ' 79' ' ' ALA . 26.9 m -63.93 -41.18 91.67 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 C-N-CA 119.841 -0.744 . . . . 0.0 112.067 -179.634 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.472 ' O ' ' N ' ' B' ' 80' ' ' ALA . 13.1 p -65.44 -37.93 81.24 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.452 0 C-N-CA 120.026 -0.67 . . . . 0.0 110.862 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.89 HD23 HD21 ' B' ' 33' ' ' LEU . 41.0 tp -60.67 -49.42 77.6 Favored 'General case' 0 CA--C 1.515 -0.376 0 C-N-CA 120.367 -0.533 . . . . 0.0 111.071 177.385 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.742 HG12 HD23 ' B' ' 37' ' ' LEU . 25.1 m -69.16 -43.26 81.71 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 C-N-CA 119.491 -0.884 . . . . 0.0 110.515 177.537 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.838 ' CB ' HG21 ' A' ' 75' ' ' VAL . . . -63.56 -42.21 98.37 Favored 'General case' 0 CA--C 1.51 -0.578 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.35 179.02 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 80' ' ' ALA . . . . . 0.472 ' N ' ' O ' ' B' ' 76' ' ' VAL . . . -61.36 -44.78 96.6 Favored 'General case' 0 N--CA 1.445 -0.716 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 -179.303 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.649 ' HG ' HG11 ' B' ' 57' ' ' VAL . 92.2 mt -63.21 -41.97 99.21 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 173.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.562 HG23 ' CZ ' ' B' ' 44' ' ' PHE . 14.7 m -61.78 -51.15 69.47 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.8 179.402 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.426 HG12 ' O ' ' B' ' 80' ' ' ALA . 0.7 OUTLIER -63.65 -42.88 97.58 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.422 178.741 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.76 -50.98 71.41 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.144 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 85' ' ' MET . . . . . 0.971 ' SD ' ' HB3' ' B' ' 47' ' ' ALA . 31.7 ttp -70.9 -42.34 70.09 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.291 -0.564 . . . . 0.0 110.463 178.019 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 86' ' ' ASN . . . . . 0.5 ' HB2' ' O ' ' B' ' 82' ' ' THR . 3.3 t30 -61.83 -30.8 71.08 Favored 'General case' 0 CA--C 1.506 -0.719 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.035 -179.634 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 87' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' B' ' 83' ' ' VAL . 40.6 t-20 -47.76 -43.21 27.14 Favored 'General case' 0 CA--C 1.511 -0.539 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 -179.021 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.405 ' CE2' HG11 ' B' ' 51' ' ' VAL . 86.8 m-85 -69.02 -38.5 79.24 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.239 178.425 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 5.6 m-30 . . . . . 0 CA--C 1.512 -0.508 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 -173.185 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.408 ' N ' ' O ' ' B' ' 40' ' ' GLU . 5.4 m . . . . . 0 C--O 1.239 0.513 0 N-CA-C 110.154 -0.313 . . . . 0.0 110.154 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.51 ' CD ' ' H ' ' A' ' 3' ' ' GLU . 2.2 mp0 -46.56 -22.66 0.3 Allowed 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.93 0.395 . . . . 0.0 110.171 179.667 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.652 HD13 HD23 ' B' ' 11' ' ' LEU . 1.0 OUTLIER -60.89 -41.22 95.63 Favored 'General case' 0 CA--C 1.505 -0.779 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.802 -176.134 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -64.95 -42.54 94.54 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 119.037 -1.065 . . . . 0.0 110.095 178.336 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 17.1 m -62.23 -46.84 87.08 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 174.106 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.24 -42.59 95.6 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 177.466 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.517 ' SD ' ' OG1' ' B' ' 82' ' ' THR . 0.3 OUTLIER -63.69 -43.6 96.14 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 177.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 13' ' ' ASN . 96.7 mt-10 -65.19 -37.19 86.54 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.55 176.487 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 18.8 m -58.09 -45.25 87.49 Favored 'General case' 0 C--N 1.313 -1.005 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 178.061 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.765 HD23 HD22 ' B' ' 4' ' ' LEU . 82.8 mt -63.06 -41.04 99.37 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.019 172.892 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.48 ' O ' ' N ' ' A' ' 16' ' ' HIS . 21.5 mm -62.62 -44.27 99.25 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.54 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.213 178.724 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 9' ' ' GLU . 50.8 m-80 -60.5 -42.88 97.25 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 120.696 -0.401 . . . . 0.0 110.514 -174.18 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.828 HG21 HD11 ' B' ' 4' ' ' LEU . 71.1 t -62.09 -46.62 96.07 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 175.027 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.467 ' CE1' ' HB2' ' A' ' 28' ' ' LEU . 69.1 t80 -60.25 -45.18 94.15 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.542 176.121 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.48 ' N ' ' O ' ' A' ' 12' ' ' ILE . 0.2 OUTLIER -57.26 -49.89 74.62 Favored 'General case' 0 C--O 1.242 0.663 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.17 -179.359 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.83 -50.3 73.99 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.112 -179.04 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.413 ' HB3' ' CD1' ' A' ' 28' ' ' LEU . 92.6 m-70 -67.6 -36.57 81.1 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.435 -179.323 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.417 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 48.8 m -56.47 -41.42 76.53 Favored 'General case' 0 CA--C 1.514 -0.406 0 C-N-CA 120.299 -0.56 . . . . 0.0 110.266 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.13 -33.65 86.53 Favored Glycine 0 CA--C 1.522 0.505 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 179.645 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.4 mmtp -63.82 -76.04 0.07 Allowed 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 -175.809 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -124.05 -5.31 7.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.958 -0.564 . . . . 0.0 112.321 -171.738 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.507 ' HA3' ' O ' ' A' ' 27' ' ' LYS . . . -75.04 -111.02 0.09 OUTLIER Glycine 0 CA--C 1.529 0.907 0 N-CA-C 111.771 -0.532 . . . . 0.0 111.771 -176.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -151.1 -151.26 0.38 Allowed 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 178.323 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.405 ' HE3' ' CZ ' ' A' ' 26' ' ' TYR . 46.6 mtmt -61.84 -45.43 93.83 Favored 'General case' 0 CA--C 1.475 -1.925 0 N-CA-C 106.569 -1.641 . . . . 0.0 106.569 173.049 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.405 ' CZ ' ' HE3' ' A' ' 25' ' ' LYS . 0.1 OUTLIER -146.46 93.31 2.28 Favored 'General case' 0 N--CA 1.428 -1.535 0 CA-C-N 113.762 -1.563 . . . . 0.0 109.672 170.838 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.507 ' O ' ' HA3' ' A' ' 23' ' ' GLY . 7.9 mmtm -163.85 159.05 20.66 Favored 'General case' 0 C--N 1.303 -1.447 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 174.356 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.467 ' HB2' ' CE1' ' A' ' 15' ' ' PHE . 45.6 tp -123.42 131.11 53.55 Favored 'General case' 0 C--N 1.307 -1.269 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 176.532 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.8 p -76.5 157.23 32.32 Favored 'General case' 0 C--O 1.243 0.755 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 178.841 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.487 ' NZ ' ' O ' ' A' ' 64' ' ' ASN . 8.3 mmmm -77.91 -7.89 57.36 Favored 'General case' 0 C--N 1.318 -0.799 0 C-N-CA 118.805 -1.158 . . . . 0.0 109.005 176.426 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 53.2 mttm -66.35 -50.17 64.45 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 176.648 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -75.56 -39.38 58.25 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 113.538 -1.664 . . . . 0.0 111.047 178.6 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.803 HD11 ' CD2' ' A' ' 77' ' ' LEU . 3.2 tm? -59.41 -44.79 92.77 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.083 -173.855 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.471 ' HB3' ' NZ ' ' A' ' 34' ' ' LYS . 7.1 mtpm? -62.61 -43.44 98.79 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 120.425 -0.51 . . . . 0.0 110.923 179.419 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.427 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 75.1 mm-40 -73.4 -52.25 14.45 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.233 0.539 . . . . 0.0 110.148 -177.735 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.532 ' HG ' ' N ' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -63.35 -43.86 96.49 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 115.906 -0.588 . . . . 0.0 112.456 -176.918 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.672 HD13 ' C ' ' A' ' 37' ' ' LEU . 2.9 tm? -61.59 -47.28 86.21 Favored 'General case' 0 CA--C 1.511 -0.556 0 C-N-CA 120.032 -0.667 . . . . 0.0 110.506 -177.419 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.587 ' HA ' HD22 ' A' ' 45' ' ' LEU . 18.0 pt20 -66.35 -41.07 90.06 Favored 'General case' 0 C--N 1.317 -0.834 0 C-N-CA 119.763 -0.775 . . . . 0.0 110.258 178.096 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 98.6 m -63.84 -52.36 60.46 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.67 -179.04 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.924 ' HB3' HD12 ' B' ' 4' ' ' LEU . 70.9 mm-40 -72.64 -43.01 63.79 Favored 'General case' 0 C--O 1.239 0.504 0 N-CA-C 112.587 0.588 . . . . 0.0 112.587 -173.418 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.9 mp -96.85 35.37 1.55 Allowed 'General case' 0 CA--C 1.505 -0.766 0 CA-C-O 121.206 0.527 . . . . 0.0 110.567 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.76 -33.99 69.09 Favored 'General case' 0 C--N 1.307 -1.242 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.355 -178.354 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.03 -50.81 43.7 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.565 -0.614 . . . . 0.0 111.565 177.423 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.539 ' HD1' ' SD ' ' A' ' 85' ' ' MET . 21.3 m-85 -70.47 -39.33 74.32 Favored 'General case' 0 CA--C 1.494 -1.193 0 CA-C-O 121.309 0.576 . . . . 0.0 110.163 176.859 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.587 HD22 ' HA ' ' A' ' 38' ' ' GLN . 44.5 tp -61.02 -44.83 96.83 Favored 'General case' 0 N--CA 1.427 -1.625 0 CA-C-N 115.23 -0.895 . . . . 0.0 111.463 -178.7 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -55.42 -46.18 76.68 Favored 'General case' 0 CA--C 1.511 -0.52 0 C-N-CA 119.91 -0.716 . . . . 0.0 110.534 -175.678 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.487 ' HB3' ' SD ' ' A' ' 85' ' ' MET . . . -66.68 -39.46 88.13 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.369 177.725 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.424 ' HG2' ' O ' ' A' ' 44' ' ' PHE . 85.8 mm-40 -76.45 -8.48 57.24 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.658 -0.701 . . . . 0.0 112.336 -177.737 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.507 ' HG3' ' O ' ' A' ' 45' ' ' LEU . 12.9 mtpt -56.99 -38.78 73.52 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 177.25 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -98.03 19.15 14.48 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.043 -176.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.492 HG12 ' H ' ' A' ' 53' ' ' ALA . 69.9 t -118.91 133.16 66.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 -178.139 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -57.54 -34.12 68.82 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.809 -176.627 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.492 ' H ' HG12 ' A' ' 51' ' ' VAL . . . -56.45 -30.47 62.9 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.225 -177.875 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 1.2 p -58.79 -43.53 88.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 C-N-CA 120.196 -0.602 . . . . 0.0 110.493 -178.545 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.511 ' OD1' ' NZ ' ' A' ' 59' ' ' LYS . 1.8 t70 -60.14 -55.57 32.18 Favored 'General case' 0 CA--C 1.504 -0.796 0 CA-C-O 121.559 0.695 . . . . 0.0 110.452 175.157 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 46.3 mttp -67.49 -39.93 85.21 Favored 'General case' 0 C--N 1.295 -1.778 0 CA-C-N 114.544 -1.207 . . . . 0.0 113.088 -173.474 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.552 HG12 HD12 ' A' ' 77' ' ' LEU . 52.8 t -63.67 -45.78 96.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 174.809 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.489 ' O ' ' N ' ' A' ' 62' ' ' ASP . 65.1 ttp -62.29 -38.43 89.35 Favored 'General case' 0 N--CA 1.434 -1.261 0 CA-C-N 114.504 -1.225 . . . . 0.0 109.817 174.75 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.511 ' NZ ' ' OD1' ' A' ' 55' ' ' ASP . 0.4 OUTLIER -60.83 -42.04 96.96 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.672 -174.853 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -58.15 -45.67 87.02 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 178.018 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.734 ' HG ' HD22 ' A' ' 77' ' ' LEU . 2.6 mm? -64.36 -40.6 96.17 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.273 173.612 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.489 ' N ' ' O ' ' A' ' 58' ' ' MET . 18.3 t0 -60.99 -38.85 87.47 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 -178.12 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.496 ' C ' ' H ' ' A' ' 65' ' ' GLY . 97.2 mt-10 -63.82 -43.17 97.03 Favored 'General case' 0 CA--C 1.502 -0.874 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 173.432 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.487 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . 8.6 t-20 -74.41 36.61 0.1 Allowed 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.28 178.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.496 ' H ' ' C ' ' A' ' 63' ' ' GLU . . . -100.74 -3.7 54.91 Favored Glycine 0 CA--C 1.508 -0.359 0 N-CA-C 109.662 -1.375 . . . . 0.0 109.662 179.633 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -61.54 -40.35 94.37 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.086 -0.557 . . . . 0.0 110.403 -177.428 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -128.66 -140.9 5.06 Favored Glycine 0 C--N 1.311 -0.849 0 N-CA-C 109.229 -1.548 . . . . 0.0 109.229 176.362 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.432 ' N ' ' CD ' ' A' ' 68' ' ' GLU . 19.4 mp0 -90.64 175.62 6.97 Favored 'General case' 0 C--N 1.309 -1.154 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 176.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.637 HG23 ' CB ' ' A' ' 73' ' ' GLU . 1.9 p -117.94 131.24 71.25 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 174.79 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -94.15 -176.56 4.02 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.168 0.509 . . . . 0.0 110.643 -176.08 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.482 ' O ' HG22 ' A' ' 75' ' ' VAL . 48.6 t80 -61.06 -44.62 97.1 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.256 178.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -61.29 -42.25 98.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.59 -179.203 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.637 ' CB ' HG23 ' A' ' 69' ' ' VAL . 70.0 mm-40 -70.2 -38.14 75.25 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 121.605 0.717 . . . . 0.0 110.09 174.447 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -61.67 -48.58 80.19 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.873 179.505 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.897 HG21 ' CB ' ' B' ' 79' ' ' ALA . 19.0 m -63.22 -40.7 90.04 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -177.086 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.412 HG12 ' O ' ' A' ' 73' ' ' GLU . 9.2 p -63.96 -38.75 83.22 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.713 0 C-N-CA 120.364 -0.534 . . . . 0.0 110.574 -179.384 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.803 ' CD2' HD11 ' A' ' 33' ' ' LEU . 59.3 tp -61.32 -47.81 84.23 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.296 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.544 HG12 HD23 ' A' ' 37' ' ' LEU . 28.2 m -69.66 -42.53 80.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 C-N-CA 120.21 -0.596 . . . . 0.0 111.07 176.847 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.974 ' CB ' HG21 ' B' ' 75' ' ' VAL . . . -63.41 -41.48 98.73 Favored 'General case' 0 CA--C 1.508 -0.641 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.6 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.12 -48.44 80.2 Favored 'General case' 0 N--CA 1.44 -0.937 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.991 -179.164 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.497 ' CD1' HD11 ' A' ' 37' ' ' LEU . 87.5 mt -63.19 -42.0 99.27 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.826 175.51 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.62 HG21 ' HB3' ' B' ' 8' ' ' MET . 21.0 m -61.98 -51.43 68.1 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.344 -179.591 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.418 ' HB ' ' HB3' ' B' ' 71' ' ' PHE . 10.0 p -63.3 -43.38 98.62 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.579 0 C-N-CA 120.093 -0.643 . . . . 0.0 110.539 -179.493 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -53.89 -52.66 59.79 Favored 'General case' 0 N--CA 1.44 -0.927 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.488 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.539 ' SD ' ' HD1' ' A' ' 44' ' ' PHE . 27.3 ttt -77.03 -44.05 32.28 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 119.638 -0.825 . . . . 0.0 111.921 178.272 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.663 ' OD1' HG21 ' B' ' 12' ' ' ILE . 8.3 t-20 -62.47 -40.07 95.45 Favored 'General case' 0 CA--C 1.513 -0.479 0 C-N-CA 120.58 -0.448 . . . . 0.0 111.666 -174.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 58.2 t-20 -47.39 -32.55 5.03 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.194 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -63.59 -34.78 78.58 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.871 178.776 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.431 ' N ' ' O ' ' A' ' 86' ' ' ASN . 55.3 m-85 -61.05 -37.98 84.54 Favored 'General case' 0 CA--C 1.514 -0.426 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 175.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.656 ' CD1' ' N ' ' A' ' 90' ' ' TRP . 2.4 m0 . . . . . 0 C--N 1.317 -0.821 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 179.164 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 2' ' ' SER . . . . . 0.425 ' C ' ' N ' ' B' ' 4' ' ' LEU . 19.0 m . . . . . 0 N--CA 1.449 -0.498 0 CA-C-O 120.746 0.308 . . . . 0.0 110.813 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 3' ' ' GLU . . . . . 0.619 ' H ' ' CD ' ' B' ' 3' ' ' GLU . 2.7 mp0 -49.62 -18.57 0.46 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.828 177.492 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.924 HD12 ' HB3' ' A' ' 40' ' ' GLU . 89.7 mt -61.08 -41.11 96.02 Favored 'General case' 0 N--CA 1.436 -1.135 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 178.054 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -62.77 -43.05 99.81 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 178.116 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 6' ' ' THR . . . . . 0.407 ' O ' ' N ' ' B' ' 10' ' ' THR . 9.8 m -61.19 -45.72 93.43 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.325 174.756 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.49 -47.19 84.91 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.441 176.568 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 8' ' ' MET . . . . . 0.62 ' HB3' HG21 ' A' ' 82' ' ' THR . 1.8 mtp -63.35 -42.96 98.94 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.148 178.219 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -64.83 -35.82 82.35 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.644 176.788 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.407 ' N ' ' O ' ' B' ' 6' ' ' THR . 12.3 m -58.85 -44.34 90.96 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 174.47 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.652 HD23 HD13 ' A' ' 4' ' ' LEU . 93.6 mt -63.07 -39.26 94.19 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.157 175.126 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.663 HG21 ' OD1' ' A' ' 86' ' ' ASN . 17.8 mm -61.73 -43.28 96.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.977 -179.092 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -57.7 -44.07 85.61 Favored 'General case' 0 C--N 1.318 -0.791 0 C-N-CA 120.941 -0.304 . . . . 0.0 110.481 -174.834 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 96.2 t -63.43 -48.68 86.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.386 0.612 . . . . 0.0 109.647 177.472 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.498 ' CE2' ' HB2' ' B' ' 28' ' ' LEU . 48.1 t80 -61.17 -48.02 83.48 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.671 0.748 . . . . 0.0 110.151 178.895 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -62.21 -47.34 84.89 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 114.862 -1.063 . . . . 0.0 110.977 -176.314 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.84 -46.19 90.05 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 120.831 0.348 . . . . 0.0 110.642 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 86.5 m-70 -71.24 -26.92 63.12 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.168 -0.469 . . . . 0.0 112.233 -179.434 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 38.6 m -53.56 -42.61 67.71 Favored 'General case' 0 CA--C 1.52 -0.192 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 177.704 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.48 -41.97 99.74 Favored Glycine 0 CA--C 1.522 0.503 0 CA-C-N 115.928 -0.578 . . . . 0.0 112.077 179.467 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -65.94 -46.24 78.9 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 -172.82 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -142.46 -4.9 0.97 Allowed 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -176.349 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 23' ' ' GLY . . . . . 0.443 ' HA3' ' O ' ' B' ' 27' ' ' LYS . . . -89.35 176.07 43.15 Favored Glycine 0 C--N 1.308 -1.002 0 N-CA-C 110.491 -1.044 . . . . 0.0 110.491 -175.628 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 24' ' ' ASP . . . . . 0.486 ' CG ' ' H ' ' B' ' 25' ' ' LYS . 10.5 t70 -75.88 -157.87 0.08 Allowed 'General case' 0 CA--C 1.512 -0.498 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 176.5 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.486 ' H ' ' CG ' ' B' ' 24' ' ' ASP . 0.2 OUTLIER -62.03 -45.63 92.75 Favored 'General case' 0 CA--C 1.488 -1.429 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 177.653 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.547 ' HB3' ' CE3' ' A' ' 90' ' ' TRP . 0.1 OUTLIER -137.79 89.79 2.44 Favored 'General case' 0 N--CA 1.426 -1.655 0 CA-C-N 114.934 -1.03 . . . . 0.0 108.918 170.169 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.485 ' NZ ' ' HB3' ' B' ' 70' ' ' ASP . 0.0 OUTLIER -167.27 164.87 15.43 Favored 'General case' 0 C--N 1.311 -1.085 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 172.722 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.603 HD21 HD21 ' B' ' 36' ' ' LEU . 53.0 tp -123.51 132.62 53.97 Favored 'General case' 0 C--N 1.304 -1.374 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 174.688 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.97 166.57 15.81 Favored 'General case' 0 C--N 1.308 -1.212 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.849 -177.807 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.453 ' NZ ' ' O ' ' B' ' 65' ' ' GLY . 7.4 mmmm -76.78 -3.11 36.57 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.719 -176.22 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.416 ' H ' ' HG3' ' B' ' 31' ' ' LYS . 32.4 mttt -80.94 -60.05 2.44 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 121.914 0.864 . . . . 0.0 108.873 -179.254 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -64.79 -35.93 82.68 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.063 -1.426 . . . . 0.0 109.581 -178.743 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.663 HD13 ' C ' ' B' ' 33' ' ' LEU . 2.9 tm? -59.27 -43.45 92.48 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.973 -1.012 . . . . 0.0 110.857 -174.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 50.2 mttp -61.22 -42.53 98.75 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -70.95 -50.44 34.55 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.685 -0.689 . . . . 0.0 112.313 -177.157 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.603 HD21 HD21 ' B' ' 28' ' ' LEU . 1.1 pp -68.23 -40.82 81.91 Favored 'General case' 0 CA--C 1.509 -0.617 0 C-N-CA 119.758 -0.777 . . . . 0.0 111.676 -178.494 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.621 HD23 HG12 ' B' ' 78' ' ' VAL . 2.8 tm? -61.32 -47.07 87.62 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.289 -0.564 . . . . 0.0 110.842 -176.714 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.462 ' HB2' ' CD2' ' B' ' 45' ' ' LEU . 14.5 pt20 -65.42 -42.05 92.91 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 119.826 -0.75 . . . . 0.0 109.977 176.601 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 94.4 m -65.01 -52.67 54.78 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.38 -177.748 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.479 ' HB3' ' HG ' ' A' ' 4' ' ' LEU . 46.3 mm-40 -69.92 -39.77 75.97 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.816 0.672 . . . . 0.0 112.816 -176.837 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 10.4 mp -107.68 37.13 2.51 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 121.087 0.47 . . . . 0.0 110.407 179.254 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.29 -36.5 73.4 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.371 -176.138 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.52 -51.25 49.76 Favored Glycine 0 C--O 1.246 0.859 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 177.648 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.492 ' O ' ' N ' ' B' ' 48' ' ' GLN . 19.5 m-85 -66.1 -41.11 91.08 Favored 'General case' 0 CA--C 1.502 -0.886 0 CA-C-O 120.855 0.36 . . . . 0.0 110.087 176.877 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.507 ' O ' HD12 ' B' ' 45' ' ' LEU . 3.0 tp -58.91 -48.11 82.63 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.89 179.536 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -61.6 -42.14 98.44 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.602 179.719 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.9 -35.25 80.54 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.881 173.744 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.508 ' NE2' ' HB ' ' B' ' 51' ' ' VAL . 3.2 mm100 -78.5 -11.92 59.98 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.735 -0.666 . . . . 0.0 112.73 -177.198 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.486 ' HG3' ' O ' ' B' ' 45' ' ' LEU . 67.8 mttm -59.33 -39.69 83.94 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 120.798 -0.361 . . . . 0.0 111.876 -175.482 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -89.5 14.12 12.2 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.388 -0.525 . . . . 0.0 111.586 -179.416 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 51' ' ' VAL . . . . . 0.646 ' O ' HG12 ' B' ' 54' ' ' VAL . 2.7 t -117.08 126.66 74.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 176.128 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.405 ' OD2' ' NZ ' ' B' ' 56' ' ' LYS . 33.8 t70 -60.61 -35.44 76.15 Favored 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 120.935 -0.306 . . . . 0.0 111.376 -177.792 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.408 ' O ' HG23 ' B' ' 57' ' ' VAL . . . -45.19 -29.72 1.01 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.416 -177.709 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.646 HG12 ' O ' ' B' ' 51' ' ' VAL . 9.9 p -60.21 -42.55 90.72 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 C-N-CA 120.34 -0.544 . . . . 0.0 109.914 179.55 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.457 ' OD1' ' NZ ' ' B' ' 59' ' ' LYS . 18.8 t70 -60.92 -52.44 65.03 Favored 'General case' 0 CA--C 1.497 -1.085 0 CA-C-O 121.44 0.638 . . . . 0.0 110.315 176.308 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 56' ' ' LYS . . . . . 0.405 ' NZ ' ' OD2' ' B' ' 52' ' ' ASP . 49.6 mttp -63.72 -42.33 97.93 Favored 'General case' 0 C--N 1.304 -1.396 0 CA-C-N 114.962 -1.017 . . . . 0.0 112.152 -175.646 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.625 HG12 HD12 ' B' ' 77' ' ' LEU . 78.1 t -63.48 -47.25 92.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 178.005 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 65.8 ttp -62.84 -42.49 99.76 Favored 'General case' 0 N--CA 1.432 -1.344 0 CA-C-N 114.845 -1.071 . . . . 0.0 110.623 176.633 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 59' ' ' LYS . . . . . 0.613 ' HB2' ' HZ2' ' B' ' 59' ' ' LYS . 0.4 OUTLIER -64.05 -41.85 97.25 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.697 -179.152 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 -61.17 -40.8 95.25 Favored 'General case' 0 C--N 1.319 -0.746 0 C-N-CA 119.562 -0.855 . . . . 0.0 109.027 177.253 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.643 ' HG ' HD13 ' B' ' 77' ' ' LEU . 2.6 mm? -63.37 -38.66 92.02 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 171.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.439 ' HA ' ' HZ3' ' B' ' 30' ' ' LYS . 25.4 t70 -60.81 -45.39 94.64 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 177.738 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -68.34 -51.81 40.32 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.898 178.52 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 64' ' ' ASN . . . . . 0.439 ' C ' ' H ' ' B' ' 66' ' ' ASP . 9.9 t-20 -69.29 -48.45 61.6 Favored 'General case' 0 CA--C 1.503 -0.833 0 CA-C-O 121.476 0.655 . . . . 0.0 110.348 -177.126 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 65' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' B' ' 61' ' ' LEU . . . -77.39 45.98 2.44 Favored Glycine 0 CA--C 1.493 -1.321 0 N-CA-C 108.796 -1.721 . . . . 0.0 108.796 176.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.439 ' H ' ' C ' ' B' ' 64' ' ' ASN . 29.6 t70 -60.99 -33.96 74.05 Favored 'General case' 0 CA--C 1.497 -1.083 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 -178.42 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -108.8 -62.39 0.54 Allowed Glycine 0 C--N 1.312 -0.789 0 N-CA-C 110.058 -1.217 . . . . 0.0 110.058 177.177 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.4 ' O ' ' HA2' ' B' ' 65' ' ' GLY . 97.5 mt-10 -139.82 169.34 17.89 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 -178.203 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.664 HG23 ' CB ' ' B' ' 73' ' ' GLU . 1.5 p -122.09 128.08 75.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 174.334 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.485 ' HB3' ' NZ ' ' B' ' 27' ' ' LYS . 0.0 OUTLIER -93.7 -179.94 5.17 Favored 'General case' 0 CA--C 1.515 -0.368 0 C-N-CA 120.708 -0.397 . . . . 0.0 111.06 -179.1 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.71 ' O ' HG22 ' B' ' 75' ' ' VAL . 58.0 t80 -61.18 -44.62 97.0 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 179.278 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -59.67 -41.09 89.88 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.864 175.428 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.664 ' CB ' HG23 ' B' ' 69' ' ' VAL . 44.4 mt-10 -66.92 -43.52 83.07 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 174.386 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -63.14 -48.85 76.7 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.344 -0.844 . . . . 0.0 112.139 -176.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.974 HG21 ' CB ' ' A' ' 79' ' ' ALA . 12.9 m -62.38 -41.0 90.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 C-N-CA 120.386 -0.525 . . . . 0.0 111.95 -177.197 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.495 HG12 ' O ' ' B' ' 73' ' ' GLU . 14.7 p -64.39 -37.53 80.22 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.788 0 C-N-CA 120.374 -0.53 . . . . 0.0 109.918 178.298 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.643 HD13 ' HG ' ' B' ' 61' ' ' LEU . 54.5 tp -61.54 -49.0 78.46 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.602 179.039 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.621 HG12 HD23 ' B' ' 37' ' ' LEU . 27.1 m -67.95 -43.15 85.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 C-N-CA 119.947 -0.701 . . . . 0.0 110.605 176.87 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.897 ' CB ' HG21 ' A' ' 75' ' ' VAL . . . -63.28 -42.81 99.13 Favored 'General case' 0 CA--C 1.509 -0.608 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.801 179.356 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 80' ' ' ALA . . . . . 0.412 ' O ' HG12 ' B' ' 83' ' ' VAL . . . -59.83 -46.26 89.8 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-O 121.248 0.547 . . . . 0.0 110.011 -178.904 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.452 ' CD1' HD11 ' B' ' 37' ' ' LEU . 93.1 mt -63.64 -42.56 98.11 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.569 174.859 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.517 ' OG1' ' SD ' ' A' ' 8' ' ' MET . 20.5 m -63.23 -49.28 74.78 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.657 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.424 HG13 ' N ' ' B' ' 84' ' ' ALA . 11.4 p -61.16 -46.27 96.96 Favored 'Isoleucine or valine' 0 C--O 1.24 0.578 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.732 -177.03 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 84' ' ' ALA . . . . . 0.424 ' N ' HG13 ' B' ' 83' ' ' VAL . . . -59.74 -50.29 74.4 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.335 179.003 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.5 -44.87 77.44 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.468 0.651 . . . . 0.0 110.526 179.098 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 86' ' ' ASN . . . . . 0.463 ' N ' ' O ' ' B' ' 82' ' ' THR . 12.5 t-20 -63.36 -39.91 95.83 Favored 'General case' 0 CA--C 1.505 -0.762 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.409 -176.889 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -45.14 -33.07 2.06 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.087 -176.765 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -61.97 -37.1 83.49 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.467 176.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 89' ' ' PHE . . . . . 0.44 ' N ' ' O ' ' B' ' 86' ' ' ASN . 40.4 m-85 . . . . . 0 C--N 1.324 -0.532 0 CA-C-O 120.964 0.411 . . . . 0.0 110.383 177.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.412 ' N ' ' OE1' ' A' ' 5' ' ' GLU . 2.5 m . . . . . 0 CA--C 1.53 0.204 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.24 -45.94 86.86 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.573 179.165 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.514 ' H ' HD22 ' A' ' 4' ' ' LEU . 1.6 mm? -61.85 -42.91 99.62 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 178.742 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.412 ' OE1' ' N ' ' A' ' 2' ' ' SER . 74.8 mt-10 -65.37 -47.33 76.78 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.078 178.412 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 10' ' ' THR . 10.5 m -63.02 -43.49 98.59 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.441 -0.8 . . . . 0.0 111.208 177.488 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.758 ' HB1' ' HB1' ' B' ' 7' ' ' ALA . . . -53.56 -45.11 69.78 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.615 ' SD ' HD11 ' B' ' 11' ' ' LEU . 95.7 mmm -65.16 -40.06 93.81 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.124 176.722 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -62.9 -37.39 86.77 Favored 'General case' 0 CA--C 1.518 -0.258 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 176.251 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.693 HG22 ' CD1' ' B' ' 4' ' ' LEU . 7.8 m -59.45 -44.76 92.89 Favored 'General case' 0 C--N 1.313 -1.021 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 -178.883 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.597 HD11 ' SD ' ' B' ' 8' ' ' MET . 98.4 mt -62.22 -40.39 95.94 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.404 174.545 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.527 HD13 ' CE1' ' A' ' 71' ' ' PHE . 24.2 mm -62.36 -43.48 98.18 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 179.258 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -60.74 -42.85 98.17 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.433 HG21 HD21 ' B' ' 4' ' ' LEU . 75.8 t -64.25 -46.32 93.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.72 175.053 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -58.69 -47.97 82.7 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.636 -179.499 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.404 ' CE1' ' HB3' ' A' ' 26' ' ' TYR . 3.0 m-70 -65.24 -38.71 91.2 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.732 176.657 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.26 -47.6 78.21 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 177.35 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.615 ' CE1' ' HB2' ' A' ' 36' ' ' LEU . 91.4 m-70 -69.93 -38.13 76.1 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.748 -0.66 . . . . 0.0 112.371 177.174 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.4 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 68.3 m -53.6 -40.82 66.03 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-O 121.508 0.67 . . . . 0.0 109.954 -179.632 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.41 -26.71 69.81 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.632 -0.987 . . . . 0.0 110.632 176.327 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.462 ' HB3' ' O ' ' A' ' 18' ' ' HIS . 0.1 OUTLIER -62.16 -45.28 94.12 Favored 'General case' 0 CA--C 1.515 -0.384 0 N-CA-C 110.735 -0.098 . . . . 0.0 110.735 -177.695 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.448 ' OE1' ' N ' ' A' ' 29' ' ' SER . 3.7 pt-20 -91.32 -11.91 36.58 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-O 120.982 0.42 . . . . 0.0 110.609 178.689 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.25 19.29 53.34 Favored Glycine 0 CA--C 1.527 0.811 0 CA-C-N 115.707 -0.679 . . . . 0.0 112.877 175.26 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -78.22 156.18 29.92 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 117.31 0.555 . . . . 0.0 109.825 176.348 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.458 ' HE2' ' CZ ' ' A' ' 26' ' ' TYR . 23.5 pttm -60.05 -42.71 95.05 Favored 'General case' 0 CA--C 1.512 -0.484 0 C-N-CA 119.947 -0.701 . . . . 0.0 109.373 173.744 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.458 ' CZ ' ' HE2' ' A' ' 25' ' ' LYS . 11.2 p90 -172.66 93.83 0.12 Allowed 'General case' 0 N--CA 1.446 -0.659 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.577 171.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.497 ' NZ ' ' OE1' ' A' ' 68' ' ' GLU . 9.0 mmmm -156.35 168.43 27.37 Favored 'General case' 0 C--N 1.311 -1.108 0 N-CA-C 107.145 -1.428 . . . . 0.0 107.145 174.861 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.539 ' HB3' HG13 ' A' ' 69' ' ' VAL . 44.0 tp -124.44 129.6 50.95 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 174.625 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.448 ' N ' ' OE1' ' A' ' 22' ' ' GLU . 8.9 p -79.28 156.71 27.95 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.571 ' NZ ' ' O ' ' A' ' 68' ' ' GLU . 5.7 mmtm -75.56 -6.64 51.29 Favored 'General case' 0 CA--C 1.514 -0.41 0 C-N-CA 118.485 -1.286 . . . . 0.0 108.82 176.388 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . 0.252 59.6 mttm -62.49 -46.02 90.36 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 106.958 -1.497 . . . . 0.0 106.958 176.563 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.488 ' O ' ' HB3' ' A' ' 36' ' ' LEU . 33.5 mm-40 -88.61 -28.76 20.46 Favored 'General case' 0 N--CA 1.435 -1.214 0 CA-C-N 113.385 -1.734 . . . . 0.0 110.472 -177.407 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.807 HD11 HD22 ' A' ' 77' ' ' LEU . 3.3 tm? -57.27 -49.17 76.91 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.543 -0.463 . . . . 0.0 110.456 -173.345 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -66.36 -45.17 81.03 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 120.28 -0.568 . . . . 0.0 111.822 178.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.428 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 62.6 mt-10 -73.47 -45.37 54.55 Favored 'General case' 0 C--O 1.239 0.525 0 N-CA-C 113.183 0.809 . . . . 0.0 113.183 -178.732 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.615 ' HB2' ' CE1' ' A' ' 18' ' ' HIS . 0.1 OUTLIER -64.9 -43.71 91.95 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 120.996 0.426 . . . . 0.0 111.733 179.716 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.69 HD13 ' C ' ' A' ' 37' ' ' LEU . 2.8 tm? -60.97 -46.35 91.07 Favored 'General case' 0 C--N 1.316 -0.848 0 C-N-CA 120.15 -0.62 . . . . 0.0 110.208 -175.828 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.428 ' HG2' ' O ' ' A' ' 35' ' ' GLU . 15.0 pt20 -65.33 -42.29 93.09 Favored 'General case' 0 C--N 1.318 -0.789 0 C-N-CA 120.118 -0.633 . . . . 0.0 110.132 176.158 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.401 ' N ' ' HG3' ' A' ' 38' ' ' GLN . 79.3 m -64.53 -53.37 49.07 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.39 -179.355 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -69.58 -39.36 77.36 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -177.412 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.672 HD22 HD21 ' A' ' 37' ' ' LEU . 11.1 mp -102.38 36.74 2.06 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-O 120.983 0.421 . . . . 0.0 110.655 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.0 -36.35 72.54 Favored 'General case' 0 C--N 1.306 -1.306 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.761 -176.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -66.36 -48.16 65.7 Favored Glycine 0 CA--C 1.528 0.887 0 N-CA-C 111.465 -0.654 . . . . 0.0 111.465 177.05 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.469 ' HD1' ' SD ' ' A' ' 85' ' ' MET . 20.9 m-85 -66.17 -41.19 90.68 Favored 'General case' 0 CA--C 1.498 -1.047 0 CA-C-O 121.513 0.673 . . . . 0.0 109.46 176.893 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.41 HD22 ' HA ' ' A' ' 38' ' ' GLN . 42.7 tp -61.16 -44.83 96.7 Favored 'General case' 0 C--N 1.303 -1.421 0 CA-C-N 114.692 -1.14 . . . . 0.0 111.111 177.707 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -54.55 -43.34 71.9 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.059 0.457 . . . . 0.0 110.26 -178.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.14 -24.22 67.61 Favored 'General case' 0 C--O 1.242 0.684 0 CA-C-N 115.353 -0.84 . . . . 0.0 112.245 -178.178 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.22 44.67 1.66 Allowed 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -175.608 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.407 ' HG3' ' O ' ' A' ' 45' ' ' LEU . 35.0 mtpt -63.68 -39.25 93.86 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.84 0.352 . . . . 0.0 110.408 178.549 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -109.43 36.07 3.08 Favored 'General case' 0 C--O 1.24 0.582 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.182 -177.013 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.918 ' O ' HG12 ' A' ' 54' ' ' VAL . 54.1 t -112.08 133.78 56.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.484 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 32.4 t70 -56.31 -35.67 67.81 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.895 -173.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.417 ' H ' HG12 ' A' ' 51' ' ' VAL . . . -51.22 -41.27 60.17 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.614 -177.583 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.918 HG12 ' O ' ' A' ' 51' ' ' VAL . 13.1 p -63.15 -40.68 89.96 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 C-N-CA 120.005 -0.678 . . . . 0.0 110.651 178.738 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.576 ' HA ' ' SD ' ' A' ' 58' ' ' MET . 31.8 t70 -62.49 -43.67 98.25 Favored 'General case' 0 CA--C 1.494 -1.204 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 175.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.484 ' NZ ' ' OD2' ' A' ' 52' ' ' ASP . 36.7 mmtm -69.07 -47.89 64.11 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.172 -176.681 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.622 HG12 HD12 ' A' ' 77' ' ' LEU . 76.8 t -64.3 -47.27 90.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.043 0.449 . . . . 0.0 110.798 -179.744 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.576 ' SD ' ' HA ' ' A' ' 55' ' ' ASP . 7.2 ptm -61.6 -28.65 69.51 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.091 0.472 . . . . 0.0 110.53 178.091 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.599 ' HB2' ' NZ ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -60.98 -47.18 87.66 Favored 'General case' 0 C--O 1.217 -0.621 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.766 -177.726 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 76.4 tt0 -61.16 -41.27 96.48 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 119.956 -0.698 . . . . 0.0 109.142 -178.746 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.525 ' HG ' HD13 ' A' ' 77' ' ' LEU . 2.9 mm? -62.17 -42.07 98.92 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.441 174.292 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -65.2 -43.88 90.14 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.304 177.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -62.45 -42.57 99.56 Favored 'General case' 0 CA--C 1.5 -0.947 0 N-CA-C 108.49 -0.929 . . . . 0.0 108.49 175.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.519 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . 9.6 t-20 -80.9 14.24 2.3 Favored 'General case' 0 C--N 1.308 -1.215 0 CA-C-N 115.032 -0.985 . . . . 0.0 109.807 177.088 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.568 ' HA2' ' HG3' ' A' ' 30' ' ' LYS . . . -80.95 32.41 2.47 Favored Glycine 0 C--O 1.228 -0.219 0 N-CA-C 109.492 -1.443 . . . . 0.0 109.492 176.441 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.469 ' H ' ' C ' ' A' ' 64' ' ' ASN . 31.8 t70 -59.82 -41.1 90.55 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 123.281 0.632 . . . . 0.0 110.406 -178.721 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -146.5 -75.16 0.02 OUTLIER Glycine 0 C--N 1.317 -0.503 0 N-CA-C 110.659 -0.977 . . . . 0.0 110.659 179.718 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.571 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . 4.5 mp0 -123.12 -174.95 3.06 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.021 0.439 . . . . 0.0 110.421 -179.389 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.759 HG11 ' HB2' ' A' ' 33' ' ' LEU . 1.9 p -127.94 129.24 69.7 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.174 0 N-CA-C 107.023 -1.473 . . . . 0.0 107.023 168.349 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.598 ' CG ' ' N ' ' A' ' 71' ' ' PHE . 1.0 OUTLIER -98.06 177.2 5.49 Favored 'General case' 0 C--N 1.302 -1.467 0 C-N-CA 120.353 -0.539 . . . . 0.0 110.03 -178.493 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.605 ' O ' HG22 ' A' ' 75' ' ' VAL . 47.4 t80 -58.12 -42.1 85.06 Favored 'General case' 0 C--N 1.31 -1.152 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 -178.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -60.81 -41.95 96.7 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.213 178.52 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.755 ' HB2' HG23 ' A' ' 69' ' ' VAL . 77.6 mt-10 -68.16 -40.28 82.37 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 119.741 -0.784 . . . . 0.0 109.387 173.395 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -61.86 -47.56 84.49 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.17 -0.923 . . . . 0.0 112.327 -176.069 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.872 HG21 ' CB ' ' B' ' 79' ' ' ALA . 16.6 m -64.88 -40.68 89.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 C-N-CA 120.527 -0.469 . . . . 0.0 111.988 -177.779 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.455 HG22 ' O ' ' A' ' 73' ' ' GLU . 33.3 m -64.69 -39.9 87.21 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.825 0 C-N-CA 120.641 -0.424 . . . . 0.0 110.792 179.827 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.807 HD22 HD11 ' A' ' 33' ' ' LEU . 59.2 tp -61.46 -48.95 78.77 Favored 'General case' 0 CA--C 1.509 -0.625 0 CA-C-O 120.89 0.376 . . . . 0.0 109.994 -179.463 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.669 HG12 HD23 ' A' ' 37' ' ' LEU . 8.2 m -68.59 -43.29 83.58 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.044 0 C-N-CA 120.082 -0.647 . . . . 0.0 110.4 177.674 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.819 ' CB ' HG21 ' B' ' 75' ' ' VAL . . . -62.22 -47.75 83.02 Favored 'General case' 0 CA--C 1.511 -0.526 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.419 179.7 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.92 -46.86 84.35 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.508 ' CD1' HD11 ' A' ' 37' ' ' LEU . 96.2 mt -63.46 -41.93 98.61 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.825 175.856 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.456 HG21 ' HB3' ' B' ' 8' ' ' MET . 97.7 m -60.94 -51.03 71.01 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.201 -177.889 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 14.7 p -63.82 -43.08 97.77 Favored 'Isoleucine or valine' 0 C--O 1.237 0.407 0 C-N-CA 120.148 -0.621 . . . . 0.0 110.229 179.21 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.56 -50.32 73.49 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 120.424 -0.511 . . . . 0.0 109.809 177.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.469 ' SD ' ' HD1' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -66.63 -44.62 81.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.892 0.377 . . . . 0.0 111.101 177.415 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.434 ' O ' ' HB2' ' A' ' 89' ' ' PHE . 9.0 m120 -65.11 -21.4 66.79 Favored 'General case' 0 CA--C 1.511 -0.543 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.578 -177.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -57.88 -39.61 78.25 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 175.095 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -63.42 -35.11 79.32 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.19 177.194 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.434 ' HB2' ' O ' ' A' ' 86' ' ' ASN . 7.7 m-85 -55.84 -48.32 75.71 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 119.982 -0.687 . . . . 0.0 109.856 -179.061 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.513 ' NE1' ' CE1' ' B' ' 16' ' ' HIS . 29.2 m95 . . . . . 0 C--N 1.314 -0.964 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.986 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 2' ' ' SER . . . . . 0.411 ' O ' ' HB2' ' B' ' 5' ' ' GLU . 4.3 m . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -57.89 -32.53 67.81 Favored 'General case' 0 CA--C 1.509 -0.633 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 178.529 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.693 ' CD1' HG22 ' A' ' 10' ' ' THR . 0.4 OUTLIER -60.48 -42.18 95.75 Favored 'General case' 0 CA--C 1.506 -0.737 0 N-CA-C 107.821 -1.177 . . . . 0.0 107.821 177.303 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 5' ' ' GLU . . . . . 0.411 ' HB2' ' O ' ' B' ' 2' ' ' SER . 49.3 mt-10 -63.73 -41.91 97.99 Favored 'General case' 0 N--CA 1.436 -1.164 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.079 177.415 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 6' ' ' THR . . . . . 0.443 ' O ' ' N ' ' B' ' 10' ' ' THR . 7.5 m -60.46 -45.41 93.78 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 174.894 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.758 ' HB1' ' HB1' ' A' ' 7' ' ' ALA . . . -59.1 -45.71 90.16 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.915 178.381 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 8' ' ' MET . . . . . 0.597 ' SD ' HD11 ' A' ' 11' ' ' LEU . 95.5 mmm -64.4 -39.82 94.6 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.549 -0.461 . . . . 0.0 110.206 177.613 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 64.2 mt-10 -63.13 -37.77 88.54 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 120.207 -0.597 . . . . 0.0 109.418 173.238 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.498 HG22 ' CD1' ' A' ' 4' ' ' LEU . 7.2 m -59.25 -44.32 92.38 Favored 'General case' 0 N--CA 1.445 -0.717 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 178.549 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.615 HD11 ' SD ' ' A' ' 8' ' ' MET . 95.3 mt -63.01 -41.94 99.7 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.997 174.448 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.459 HG23 ' CD2' ' B' ' 16' ' ' HIS . 15.4 mm -62.21 -44.15 98.75 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 179.483 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 24.7 m-80 -61.37 -43.87 98.14 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.368 -178.612 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 56.9 t -66.24 -48.04 82.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 C-N-CA 120.34 -0.544 . . . . 0.0 110.362 175.59 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.51 ' CE2' ' HB3' ' B' ' 28' ' ' LEU . 56.8 t80 -59.13 -48.6 81.01 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.599 -179.061 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.537 ' CE1' ' CB ' ' B' ' 26' ' ' TYR . 12.5 m-70 -67.9 -35.02 77.75 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.853 -177.755 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.37 -45.73 93.18 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.854 179.692 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.489 ' CD2' HD22 ' B' ' 36' ' ' LEU . 89.6 m-70 -65.56 -29.69 70.34 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.029 179.274 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.578 ' HB3' ' O ' ' B' ' 25' ' ' LYS . 14.7 m -49.86 -31.32 11.72 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.364 -177.133 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -54.45 -32.75 52.9 Favored Glycine 0 C--N 1.32 -0.325 0 N-CA-C 110.258 -1.137 . . . . 0.0 110.258 179.785 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 21' ' ' LYS . . . . . 0.475 ' HD2' ' H ' ' B' ' 21' ' ' LYS . 0.2 OUTLIER -63.31 -45.08 93.01 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.108 176.006 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 70.6 tt0 -70.74 -44.91 65.81 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 121.027 0.441 . . . . 0.0 111.6 176.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.64 -3.85 62.4 Favored Glycine 0 CA--C 1.537 1.41 0 CA-C-N 116.079 -0.509 . . . . 0.0 113.501 177.031 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 54.9 t0 -58.38 -51.33 70.27 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 178.771 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.578 ' O ' ' HB3' ' B' ' 19' ' ' SER . 55.9 pttt 164.16 -128.46 0.0 OUTLIER 'General case' 0 C--N 1.309 -1.176 0 C-N-CA 126.134 1.774 . . . . 0.0 106.912 174.771 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.537 ' CB ' ' CE1' ' B' ' 16' ' ' HIS . 0.9 OUTLIER -74.92 92.2 2.54 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 118.263 -1.375 . . . . 0.0 108.109 170.315 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.439 ' O ' ' HA ' ' B' ' 19' ' ' SER . 4.7 mmmm -153.94 162.44 41.22 Favored 'General case' 0 CA--C 1.507 -0.688 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.803 -175.196 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.649 HD11 ' HB2' ' B' ' 32' ' ' GLU . 44.2 tp -135.27 134.67 40.2 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-O 121.293 0.568 . . . . 0.0 110.598 172.645 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -110.57 169.3 8.84 Favored 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 176.122 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.491 ' O ' ' NZ ' ' B' ' 34' ' ' LYS . 0.1 OUTLIER -64.31 -3.48 2.91 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-O 121.07 0.462 . . . . 0.0 111.062 -176.552 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.522 ' O ' ' NZ ' ' B' ' 34' ' ' LYS . 41.5 mttm -60.76 -71.84 0.13 Allowed 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 179.371 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.649 ' HB2' HD11 ' B' ' 28' ' ' LEU . 36.7 mm-40 -75.71 -39.99 56.45 Favored 'General case' 0 N--CA 1.441 -0.876 0 CA-C-N 114.148 -1.387 . . . . 0.0 111.772 -177.626 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.663 HD11 ' CD2' ' B' ' 77' ' ' LEU . 2.8 tm? -44.29 -57.5 3.45 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 116.146 -0.479 . . . . 0.0 112.107 -171.101 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.522 ' NZ ' ' O ' ' B' ' 31' ' ' LYS . 23.0 pttm -61.53 -46.56 89.44 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-O 120.91 0.386 . . . . 0.0 111.63 -178.265 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -67.97 -45.49 74.05 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.999 0.428 . . . . 0.0 111.093 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.492 HD12 ' C ' ' B' ' 36' ' ' LEU . 0.1 OUTLIER -63.82 -43.49 96.06 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.021 -0.536 . . . . 0.0 112.304 177.728 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.651 HD13 ' C ' ' B' ' 37' ' ' LEU . 2.8 tm? -61.18 -47.71 84.93 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 120.646 -0.422 . . . . 0.0 111.303 -176.072 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.475 ' HG3' ' N ' ' B' ' 39' ' ' THR . 15.4 pt20 -64.76 -40.58 95.53 Favored 'General case' 0 C--N 1.315 -0.896 0 C-N-CA 119.869 -0.732 . . . . 0.0 109.669 177.729 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.475 ' N ' ' HG3' ' B' ' 38' ' ' GLN . 96.6 m -62.61 -51.98 65.19 Favored 'General case' 0 N--CA 1.441 -0.911 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.272 -177.798 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -73.17 -41.24 64.1 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.419 -0.512 . . . . 0.0 111.931 -176.401 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 9.8 mp -102.69 30.5 4.66 Favored 'General case' 0 C--O 1.238 0.473 0 N-CA-C 112.497 0.555 . . . . 0.0 112.497 -176.357 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 23.2 m -51.97 -38.79 57.88 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 120.429 -0.508 . . . . 0.0 109.902 178.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -62.35 -50.7 62.39 Favored Glycine 0 N--CA 1.453 -0.183 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 178.745 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.519 ' CE2' ' HA ' ' B' ' 82' ' ' THR . 19.3 m-85 -62.41 -45.79 91.53 Favored 'General case' 0 CA--C 1.509 -0.617 0 CA-C-O 121.084 0.468 . . . . 0.0 110.097 176.575 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.497 ' O ' HD12 ' B' ' 45' ' ' LEU . 2.7 tp -61.04 -48.74 80.38 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.088 178.192 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -65.76 -41.45 92.07 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-O 120.68 0.276 . . . . 0.0 111.602 176.616 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 47' ' ' ALA . . . . . 0.682 ' HB3' ' SD ' ' B' ' 85' ' ' MET . . . -63.52 -41.66 98.49 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.873 -176.454 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.422 ' NE2' ' HB ' ' B' ' 54' ' ' VAL . 0.0 OUTLIER -117.94 30.28 7.34 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.856 0.36 . . . . 0.0 111.196 -177.749 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' B' ' 45' ' ' LEU . 59.0 tttp -61.48 -42.7 99.18 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.345 -176.611 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -64.54 -27.96 69.32 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.007 -177.776 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 58.5 t -63.74 130.5 28.66 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 -176.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.498 ' OD2' ' NZ ' ' B' ' 56' ' ' LYS . 37.4 t70 -60.72 -36.68 79.44 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.027 -178.331 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.425 ' O ' HG23 ' B' ' 57' ' ' VAL . . . -53.6 -28.36 31.97 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.297 179.6 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.463 ' CG1' ' N ' ' B' ' 55' ' ' ASP . 0.3 OUTLIER -59.15 -47.49 90.01 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 C-N-CA 119.929 -0.709 . . . . 0.0 109.149 178.296 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.494 ' OD2' ' NZ ' ' B' ' 59' ' ' LYS . 28.5 t70 -63.82 -44.95 91.7 Favored 'General case' 0 CA--C 1.492 -1.281 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 175.497 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 56' ' ' LYS . . . . . 0.498 ' NZ ' ' OD2' ' B' ' 52' ' ' ASP . 41.6 mmtm -63.59 -42.33 98.28 Favored 'General case' 0 N--CA 1.437 -1.125 0 CA-C-N 115.106 -0.952 . . . . 0.0 111.19 -172.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.592 HG12 HD12 ' B' ' 77' ' ' LEU . 98.2 t -61.05 -45.7 98.07 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 C-N-CA 119.39 -0.924 . . . . 0.0 108.879 176.018 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 13.2 mmm -61.12 -42.49 98.64 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 177.142 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 59' ' ' LYS . . . . . 0.494 ' NZ ' ' OD2' ' B' ' 55' ' ' ASP . 1.1 tppm? -65.36 -44.93 86.08 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.138 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 60' ' ' GLU . . . . . 0.413 ' HG3' ' O ' ' B' ' 56' ' ' LYS . 96.2 mt-10 -66.31 -40.92 90.27 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.321 -178.674 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.668 HD13 ' OD1' ' B' ' 64' ' ' ASN . 2.6 mm? -76.92 -7.81 56.23 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.983 -177.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -63.59 -35.65 81.2 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 173.749 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -61.81 -37.74 85.52 Favored 'General case' 0 CA--C 1.508 -0.642 0 CA-C-N 115.342 -0.844 . . . . 0.0 109.708 177.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 64' ' ' ASN . . . . . 0.668 ' OD1' HD13 ' B' ' 61' ' ' LEU . 12.2 m120 -62.72 -14.59 46.14 Favored 'General case' 0 C--N 1.308 -1.218 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.511 -179.339 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 65' ' ' GLY . . . . . 0.446 ' N ' ' HE3' ' B' ' 30' ' ' LYS . . . -73.14 29.69 0.8 Allowed Glycine 0 CA--C 1.527 0.791 0 N-CA-C 110.226 -1.15 . . . . 0.0 110.226 173.279 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.549 ' H ' ' C ' ' B' ' 64' ' ' ASN . 24.2 t70 -60.12 -40.45 89.78 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-O 121.335 0.588 . . . . 0.0 109.761 -179.417 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -151.88 -59.76 0.01 OUTLIER Glycine 0 C--N 1.316 -0.582 0 N-CA-C 108.795 -1.722 . . . . 0.0 108.795 175.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -136.45 173.47 11.67 Favored 'General case' 0 C--N 1.315 -0.892 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 173.856 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.457 HG23 ' HB3' ' B' ' 73' ' ' GLU . 2.5 p -120.79 124.17 71.8 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.988 0 N-CA-C 107.805 -1.184 . . . . 0.0 107.805 172.653 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.12 -178.52 5.0 Favored 'General case' 0 C--N 1.316 -0.879 0 C-N-CA 119.592 -0.843 . . . . 0.0 111.746 -174.035 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -60.05 -44.23 94.83 Favored 'General case' 0 C--N 1.308 -1.197 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.457 -178.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.435 ' O ' HG22 ' B' ' 75' ' ' VAL . 0.3 OUTLIER -58.45 -44.46 89.24 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.33 178.332 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.559 ' O ' HG22 ' B' ' 76' ' ' VAL . 97.3 mt-10 -69.85 -35.82 75.04 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.407 0.622 . . . . 0.0 110.768 176.546 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 30.4 t80 -60.98 -46.04 92.33 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.492 177.74 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.819 HG21 ' CB ' ' A' ' 79' ' ' ALA . 35.8 m -64.57 -38.15 81.89 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.326 0 C-N-CA 120.403 -0.519 . . . . 0.0 112.079 -176.649 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.559 HG22 ' O ' ' B' ' 73' ' ' GLU . 26.9 m -63.6 -38.89 83.44 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.635 0 C-N-CA 120.096 -0.642 . . . . 0.0 111.083 -179.453 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.663 ' CD2' HD11 ' B' ' 33' ' ' LEU . 44.5 tp -61.32 -48.15 82.67 Favored 'General case' 0 CA--C 1.515 -0.377 0 C-N-CA 120.491 -0.483 . . . . 0.0 110.542 179.742 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.436 HG12 ' CD2' ' B' ' 37' ' ' LEU . 34.7 m -69.89 -45.42 76.98 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 C-N-CA 119.849 -0.74 . . . . 0.0 110.685 174.871 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.872 ' CB ' HG21 ' A' ' 75' ' ' VAL . . . -62.07 -46.62 88.3 Favored 'General case' 0 CA--C 1.509 -0.616 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -178.334 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.62 -41.65 90.9 Favored 'General case' 0 N--CA 1.446 -0.647 0 C-N-CA 120.31 -0.556 . . . . 0.0 109.631 -177.365 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.4 HD22 HG23 ' B' ' 54' ' ' VAL . 96.5 mt -65.13 -41.39 94.86 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.423 0.63 . . . . 0.0 109.469 173.019 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.531 HG21 ' HB3' ' A' ' 8' ' ' MET . 21.1 m -61.35 -50.2 73.87 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.682 -178.494 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.435 ' HA ' ' HB3' ' B' ' 86' ' ' ASN . 14.8 p -63.55 -42.16 95.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 C-N-CA 120.376 -0.529 . . . . 0.0 109.793 178.128 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.48 -52.63 64.62 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.36 178.569 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 85' ' ' MET . . . . . 0.682 ' SD ' ' HB3' ' B' ' 47' ' ' ALA . 37.3 ttp -65.93 -38.99 90.09 Favored 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 177.76 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 86' ' ' ASN . . . . . 0.467 ' HA ' ' HB2' ' B' ' 89' ' ' PHE . 3.7 t-20 -59.03 -41.41 87.71 Favored 'General case' 0 CA--C 1.508 -0.641 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.825 179.094 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.34 -42.93 96.71 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 178.182 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -67.88 -33.38 74.63 Favored 'General case' 0 C--O 1.215 -0.735 0 CA-C-N 115.417 -0.81 . . . . 0.0 111.881 174.075 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 89' ' ' PHE . . . . . 0.467 ' HB2' ' HA ' ' B' ' 86' ' ' ASN . 3.9 t80 . . . . . 0 C--N 1.316 -0.88 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 -173.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 0.344 0 N-CA-C 110.748 -0.941 . . . . 0.0 110.748 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.6 m -67.25 159.03 30.0 Favored 'General case' 0 C--O 1.248 0.989 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 179.244 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -57.61 -43.66 84.89 Favored 'General case' 0 CA--C 1.51 -0.582 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.887 HD13 ' CD2' ' B' ' 11' ' ' LEU . 0.2 OUTLIER -61.2 -44.18 97.7 Favored 'General case' 0 CA--C 1.5 -0.964 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.303 177.883 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -61.8 -45.91 91.8 Favored 'General case' 0 N--CA 1.432 -1.339 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.0 m -64.29 -48.95 73.71 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.707 175.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.29 -48.8 80.27 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.944 0.402 . . . . 0.0 110.642 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.513 ' HG2' ' O ' ' A' ' 4' ' ' LEU . 97.5 mmm -64.41 -40.58 96.06 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.652 -179.173 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.423 ' O ' ' HB ' ' A' ' 12' ' ' ILE . 91.4 mt-10 -65.14 -36.75 85.24 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.236 -0.586 . . . . 0.0 110.588 175.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 19.3 m -59.52 -42.07 91.4 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 176.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.662 HD23 HD12 ' B' ' 4' ' ' LEU . 89.3 mt -61.66 -40.55 95.32 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 173.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.51 HD13 ' CD1' ' A' ' 71' ' ' PHE . 19.4 mm -62.01 -43.73 98.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.811 178.183 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 -60.73 -45.46 94.2 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 120.659 -0.416 . . . . 0.0 109.984 -177.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 1.064 HG21 HD21 ' B' ' 4' ' ' LEU . 53.3 t -65.09 -45.37 94.48 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.685 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.344 175.539 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.477 ' CE1' ' HB2' ' A' ' 28' ' ' LEU . 83.9 t80 -59.29 -47.58 84.84 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 177.745 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -58.43 -42.64 87.76 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.966 176.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.79 -50.15 73.18 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.564 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.598 ' CD2' HD13 ' A' ' 36' ' ' LEU . 88.1 m-70 -69.23 -40.68 77.79 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.538 178.341 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 36.0 m -57.48 -39.2 75.87 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 120.059 -0.656 . . . . 0.0 109.676 178.012 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.22 -43.07 98.83 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 109.662 -1.375 . . . . 0.0 109.662 175.303 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -67.06 -44.34 80.39 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 121.263 -0.175 . . . . 0.0 111.367 178.676 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.76 -35.51 80.27 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 120.235 -0.586 . . . . 0.0 110.892 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 119.2 -23.55 8.55 Favored Glycine 0 N--CA 1.461 0.348 0 C-N-CA 121.383 -0.437 . . . . 0.0 113.272 172.498 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -69.6 150.62 46.87 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 117.639 0.719 . . . . 0.0 110.715 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 35.3 pttt -60.33 -34.82 74.37 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 176.636 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.584 ' CG ' ' CE3' ' B' ' 90' ' ' TRP . 2.0 p90 -168.12 90.67 0.3 Allowed 'General case' 0 N--CA 1.446 -0.655 0 CA-C-O 121.775 0.798 . . . . 0.0 110.913 169.797 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.575 ' CE ' ' HB3' ' A' ' 70' ' ' ASP . 29.4 mmmt -164.44 165.69 21.24 Favored 'General case' 0 C--N 1.313 -1.005 0 N-CA-C 105.904 -1.887 . . . . 0.0 105.904 171.624 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.574 ' HB3' ' O ' ' A' ' 69' ' ' VAL . 31.4 tp -124.72 125.46 44.11 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 175.755 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.1 m -82.0 157.48 24.2 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 177.296 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.469 ' HD3' HG12 ' A' ' 69' ' ' VAL . 20.0 mmtp -65.73 -5.88 9.97 Favored 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 120.3 -0.56 . . . . 0.0 109.774 179.514 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 62.7 mttm -63.19 -46.05 88.91 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.517 ' HB2' HD11 ' A' ' 28' ' ' LEU . 58.9 mm-40 -89.05 -38.04 14.69 Favored 'General case' 0 N--CA 1.44 -0.944 0 CA-C-N 113.65 -1.613 . . . . 0.0 111.701 -175.56 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.827 HD11 ' CD2' ' A' ' 77' ' ' LEU . 3.2 tm? -56.99 -45.16 83.17 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.74 -0.664 . . . . 0.0 112.04 -167.322 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.56 -44.69 89.92 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 118.819 -1.152 . . . . 0.0 109.843 178.616 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.434 ' O ' ' OG1' ' A' ' 39' ' ' THR . 76.9 mt-10 -64.99 -46.54 81.03 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 179.429 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.598 HD13 ' CD2' ' A' ' 18' ' ' HIS . 4.4 tp -62.07 -51.47 67.84 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.176 -0.92 . . . . 0.0 111.774 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.789 HD21 HD12 ' A' ' 81' ' ' LEU . 2.7 tm? -63.97 -46.09 86.21 Favored 'General case' 0 C--N 1.305 -1.352 0 C-N-CA 119.483 -0.887 . . . . 0.0 111.83 -175.708 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -66.71 -39.2 87.93 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.302 -0.559 . . . . 0.0 110.714 178.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.434 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 59.6 m -70.56 -60.23 2.38 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.386 -177.413 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.445 ' CD ' HD12 ' A' ' 36' ' ' LEU . 14.9 mp0 -62.87 -36.81 84.5 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 -176.079 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.489 HD22 HD21 ' A' ' 37' ' ' LEU . 10.2 mp -99.46 39.36 1.31 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.776 0.322 . . . . 0.0 110.777 178.176 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 60.4 m -57.89 -44.55 86.81 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 120.209 -0.596 . . . . 0.0 111.594 -175.467 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -66.74 -43.64 91.33 Favored Glycine 0 C--N 1.32 -0.356 0 N-CA-C 111.231 -0.747 . . . . 0.0 111.231 179.161 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -64.3 -45.87 86.05 Favored 'General case' 0 CA--C 1.496 -1.099 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 178.125 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.489 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 40.5 tp -62.03 -47.14 86.08 Favored 'General case' 0 N--CA 1.429 -1.48 0 CA-C-N 114.831 -1.077 . . . . 0.0 111.09 176.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.508 ' HA ' ' HE3' ' A' ' 49' ' ' LYS . 28.4 t70 -62.09 -36.79 82.77 Favored 'General case' 0 CA--C 1.506 -0.722 0 CA-C-O 120.857 0.36 . . . . 0.0 110.264 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.411 ' HB3' ' HG3' ' A' ' 85' ' ' MET . . . -63.39 -25.0 68.09 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.339 176.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.559 ' NE2' ' HB ' ' A' ' 54' ' ' VAL . 0.0 OUTLIER -147.83 46.57 1.1 Allowed 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 -175.066 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.508 ' HE3' ' HA ' ' A' ' 46' ' ' ASP . 76.5 mttt -62.78 -44.11 97.04 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 120.995 0.426 . . . . 0.0 111.076 176.491 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -82.04 -8.7 59.68 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.75 -0.659 . . . . 0.0 112.4 -175.19 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.827 ' O ' HG12 ' A' ' 54' ' ' VAL . 72.9 t -68.2 135.96 27.43 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 -178.244 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.479 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 34.4 t70 -59.99 -36.31 76.9 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 120.991 0.424 . . . . 0.0 110.935 -175.377 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.564 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -52.77 -42.51 65.08 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.425 -177.034 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.827 HG12 ' O ' ' A' ' 51' ' ' VAL . 7.2 p -60.28 -38.31 76.98 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.301 0 C-N-CA 119.671 -0.812 . . . . 0.0 111.207 -179.097 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -60.73 -54.26 47.44 Favored 'General case' 0 CA--C 1.509 -0.619 0 CA-C-O 121.684 0.754 . . . . 0.0 109.944 178.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.479 ' NZ ' ' OD2' ' A' ' 52' ' ' ASP . 61.7 mttp -65.82 -42.41 90.63 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-N 114.785 -1.098 . . . . 0.0 111.253 -179.739 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 53' ' ' ALA . 55.8 t -63.33 -45.13 98.98 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 179.067 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 45.3 ttm -61.05 -48.62 80.91 Favored 'General case' 0 N--CA 1.432 -1.326 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.407 177.645 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.7 tttm -72.3 -44.68 62.37 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 113.792 1.034 . . . . 0.0 113.792 -177.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -52.06 -18.24 1.35 Allowed 'General case' 0 C--N 1.31 -1.131 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -176.534 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.604 ' HG ' HD13 ' A' ' 77' ' ' LEU . 2.3 mm? -80.8 -7.65 59.47 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.102 176.112 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 65' ' ' GLY . 59.9 m-20 -61.95 -35.79 79.51 Favored 'General case' 0 CA--C 1.509 -0.607 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 175.414 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -59.49 -36.04 75.27 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 176.036 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.425 ' O ' ' HE3' ' A' ' 30' ' ' LYS . 4.8 m-20 -84.1 9.79 11.72 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.206 174.727 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . -89.0 13.03 64.26 Favored Glycine 0 N--CA 1.452 -0.299 0 N-CA-C 108.377 -1.889 . . . . 0.0 108.377 172.166 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -55.98 -44.33 78.45 Favored 'General case' 0 CA--C 1.509 -0.615 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 -179.563 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -140.74 -69.48 0.04 OUTLIER Glycine 0 C--N 1.312 -0.773 0 N-CA-C 108.737 -1.745 . . . . 0.0 108.737 175.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.499 ' N ' ' CD ' ' A' ' 68' ' ' GLU . 0.5 OUTLIER -143.55 -179.12 6.24 Favored 'General case' 0 C--N 1.314 -0.935 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 175.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.846 HG23 ' CB ' ' A' ' 73' ' ' GLU . 2.0 p -126.64 136.1 61.79 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.248 0 N-CA-C 106.94 -1.504 . . . . 0.0 106.94 176.053 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.575 ' HB3' ' CE ' ' A' ' 27' ' ' LYS . 1.4 p30 -122.79 -161.63 0.96 Allowed 'General case' 0 CA--C 1.494 -1.181 0 C-N-CA 119.751 -0.779 . . . . 0.0 112.786 -179.216 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.801 ' O ' HG22 ' A' ' 75' ' ' VAL . 45.7 t80 -59.0 -44.58 91.7 Favored 'General case' 0 C--N 1.31 -1.121 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 -173.113 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.478 ' HG3' HG11 ' B' ' 83' ' ' VAL . 36.9 mt-30 -61.09 -44.86 96.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.187 177.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.846 ' CB ' HG23 ' A' ' 69' ' ' VAL . 2.1 mp0 -69.68 -42.07 74.64 Favored 'General case' 0 CA--C 1.548 0.891 0 CA-C-O 121.46 0.648 . . . . 0.0 110.438 176.638 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.545 ' CE1' HD21 ' A' ' 36' ' ' LEU . 31.4 t80 -62.68 -47.89 81.71 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 115.586 -0.734 . . . . 0.0 112.549 -177.049 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.827 HG21 ' CB ' ' B' ' 79' ' ' ALA . 13.2 m -61.7 -42.94 96.22 Favored 'Isoleucine or valine' 0 C--O 1.237 0.415 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -176.546 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 8.2 p -63.52 -39.3 84.82 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.735 0 C-N-CA 120.099 -0.64 . . . . 0.0 110.358 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.827 ' CD2' HD11 ' A' ' 33' ' ' LEU . 53.5 tp -62.1 -48.04 81.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.948 -178.428 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.702 HG12 HD23 ' A' ' 37' ' ' LEU . 9.5 m -68.66 -41.81 82.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 C-N-CA 120.025 -0.67 . . . . 0.0 110.528 177.124 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.917 ' CB ' HG21 ' B' ' 75' ' ' VAL . . . -62.43 -40.0 95.17 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.737 178.713 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.92 -47.35 83.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.233 0.54 . . . . 0.0 109.647 179.218 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.789 HD12 HD21 ' A' ' 37' ' ' LEU . 97.5 mt -63.59 -40.89 98.09 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.818 175.063 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.423 HG21 ' HB3' ' B' ' 8' ' ' MET . 20.9 m -60.08 -50.19 74.67 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.395 -178.185 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.594 HG23 ' HH2' ' A' ' 90' ' ' TRP . 10.4 p -62.77 -42.65 97.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 C-N-CA 120.367 -0.533 . . . . 0.0 110.315 178.019 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -58.39 -50.85 72.2 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-O 120.965 0.412 . . . . 0.0 110.149 177.562 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.411 ' HG3' ' HB3' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -70.91 -46.87 61.76 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.277 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.496 ' O ' ' HB2' ' A' ' 89' ' ' PHE . 9.5 m120 -66.9 -21.72 65.99 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.556 -178.577 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.552 ' HA ' ' CE3' ' A' ' 90' ' ' TRP . 20.7 t-20 -56.52 -38.55 71.98 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 174.552 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -63.8 -38.0 89.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.551 174.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.496 ' HB2' ' O ' ' A' ' 86' ' ' ASN . 7.2 m-85 -57.89 -46.13 85.36 Favored 'General case' 0 CA--C 1.508 -0.656 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.681 179.381 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.594 ' HH2' HG23 ' A' ' 83' ' ' VAL . 2.0 m0 -73.21 -52.56 13.61 Favored 'General case' 0 C--N 1.308 -1.219 0 CA-C-O 121.335 0.588 . . . . 0.0 110.4 -176.686 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -71.49 -46.81 58.79 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.356 -0.838 . . . . 0.0 112.336 -175.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 60.5 t-20 -95.33 99.98 11.83 Favored 'General case' 0 CA--C 1.506 -0.737 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 175.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.409 ' OG ' ' O ' ' A' ' 89' ' ' PHE . 3.2 m . . . . . 0 C--O 1.204 -1.294 0 C-N-CA 123.866 0.867 . . . . 0.0 108.744 -174.205 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.779 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 3.9 m -70.58 177.95 3.24 Favored 'General case' 0 C--O 1.247 0.971 0 C-N-CA 123.237 0.615 . . . . 0.0 111.103 -177.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.477 ' H ' ' CD ' ' B' ' 3' ' ' GLU . 1.8 mp0 -57.62 -41.04 80.5 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 1.064 HD21 HG21 ' A' ' 14' ' ' VAL . 1.4 mm? -62.14 -43.51 98.67 Favored 'General case' 0 CA--C 1.503 -0.83 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 178.46 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.449 ' CG ' ' HA ' ' A' ' 41' ' ' LEU . 43.6 mt-10 -62.96 -42.64 99.88 Favored 'General case' 0 N--CA 1.437 -1.078 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 -179.744 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 7.2 m -61.52 -46.31 90.52 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.25 -0.887 . . . . 0.0 109.028 174.387 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.27 -47.09 84.72 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.796 178.338 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' MET . . . . . 0.662 ' SD ' HD12 ' B' ' 11' ' ' LEU . 96.2 mmm -63.61 -40.67 97.52 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.691 179.074 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -62.67 -38.7 91.4 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 119.673 -0.811 . . . . 0.0 109.201 174.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 7.6 m -58.95 -43.17 91.2 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 177.409 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.887 ' CD2' HD13 ' A' ' 4' ' ' LEU . 97.6 mt -62.41 -42.06 99.15 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 176.42 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.487 HD13 ' CD1' ' B' ' 71' ' ' PHE . 21.2 mm -63.04 -44.61 99.7 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 28.9 m120 -61.64 -42.67 99.22 Favored 'General case' 0 CA--C 1.503 -0.842 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.883 -177.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.71 HG21 HD21 ' A' ' 4' ' ' LEU . 70.1 t -64.87 -44.93 96.21 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.678 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.915 175.297 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -58.06 -47.49 82.99 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 178.05 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -63.99 -37.6 88.02 Favored 'General case' 0 C--O 1.24 0.59 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.772 176.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.529 ' O ' ' HG2' ' B' ' 21' ' ' LYS . . . -53.62 -34.34 58.14 Favored 'General case' 0 CA--C 1.511 -0.526 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 179.128 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.518 ' NE2' HD13 ' B' ' 36' ' ' LEU . 94.6 m-70 -88.51 -35.6 16.89 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 179.626 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 68.9 m -54.92 -40.05 69.47 Favored 'General case' 0 C--O 1.242 0.672 0 CA-C-O 121.265 0.555 . . . . 0.0 109.666 178.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.62 -38.23 95.95 Favored Glycine 0 N--CA 1.45 -0.43 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 178.179 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.529 ' HG2' ' O ' ' B' ' 17' ' ' ALA . 15.6 mmtp -64.3 -48.66 74.82 Favored 'General case' 0 C--O 1.238 0.5 0 CA-C-O 121.059 0.457 . . . . 0.0 109.875 -177.549 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.596 ' CD ' ' H ' ' B' ' 29' ' ' SER . 99.1 mt-10 -69.73 -40.38 76.25 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.128 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 113.52 47.89 0.62 Allowed Glycine 0 CA--C 1.516 0.098 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.853 175.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -131.27 149.4 52.58 Favored 'General case' 0 CA--C 1.509 -0.606 0 CA-C-N 116.785 0.292 . . . . 0.0 110.34 176.524 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.4 ' HE2' ' CZ ' ' B' ' 26' ' ' TYR . 20.7 pttm -61.86 -39.8 93.15 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 177.176 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.465 ' CG ' ' CE3' ' A' ' 90' ' ' TRP . 1.6 p90 -162.4 93.76 0.86 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.961 171.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.478 ' NZ ' ' OE1' ' B' ' 68' ' ' GLU . 2.2 mmtm -163.64 158.68 20.8 Favored 'General case' 0 CA--C 1.498 -1.054 0 CA-C-N 115.171 -0.922 . . . . 0.0 109.056 172.464 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.527 HD21 HD23 ' B' ' 33' ' ' LEU . 45.8 tp -126.04 136.6 53.13 Favored 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 172.163 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.596 ' H ' ' CD ' ' B' ' 22' ' ' GLU . 1.4 m -106.33 167.59 9.72 Favored 'General case' 0 C--N 1.305 -1.34 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 179.182 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.462 ' NZ ' ' O ' ' B' ' 61' ' ' LEU . 13.5 mmmm -66.93 -3.28 6.64 Favored 'General case' 0 C--N 1.313 -0.982 0 C-N-CA 120.124 -0.63 . . . . 0.0 111.763 -176.79 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.451 ' HD2' ' HG2' ' B' ' 22' ' ' GLU . 0.5 OUTLIER -81.92 -60.8 2.11 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -178.834 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.49 ' O ' ' HB3' ' B' ' 36' ' ' LEU . 58.2 mm-40 -65.76 -35.96 82.21 Favored 'General case' 0 CA--C 1.507 -0.682 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 175.443 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.887 HD21 HD23 ' B' ' 77' ' ' LEU . 2.4 tm? -56.84 -44.4 82.08 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.756 -171.48 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.427 ' HG3' ' O ' ' B' ' 30' ' ' LYS . 46.8 mttp -62.56 -45.61 92.15 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 119.668 -0.813 . . . . 0.0 109.38 -178.48 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -70.04 -42.97 72.2 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 114.789 -1.096 . . . . 0.0 109.99 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.778 HD21 ' CE1' ' B' ' 74' ' ' TYR . 2.5 tp -60.6 -47.53 85.81 Favored 'General case' 0 C--N 1.309 -1.17 0 CA-C-N 115.428 -0.805 . . . . 0.0 111.435 178.518 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.694 HD23 HG12 ' B' ' 78' ' ' VAL . 2.8 tm? -62.78 -45.96 90.2 Favored 'General case' 0 C--N 1.314 -0.946 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.895 -177.541 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.417 ' HG3' ' N ' ' B' ' 39' ' ' THR . 13.8 pt20 -65.81 -40.12 91.57 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.071 -0.652 . . . . 0.0 110.515 176.206 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.417 ' N ' ' HG3' ' B' ' 38' ' ' GLN . 79.3 m -62.25 -52.32 64.21 Favored 'General case' 0 C--O 1.241 0.625 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.271 -176.464 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.509 ' HB3' ' HB2' ' A' ' 4' ' ' LEU . 76.2 mm-40 -71.92 -43.93 64.49 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 -178.192 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.408 ' HB3' ' HB2' ' B' ' 44' ' ' PHE . 10.7 mp -95.43 40.23 1.11 Allowed 'General case' 0 C--N 1.308 -1.207 0 CA-C-O 121.056 0.455 . . . . 0.0 111.008 -178.197 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 55.8 m -52.58 -42.01 64.13 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.479 179.213 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.78 -47.07 57.92 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.562 -0.615 . . . . 0.0 111.562 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.578 ' HA ' ' SD ' ' B' ' 85' ' ' MET . 77.2 m-85 -68.26 -40.65 81.83 Favored 'General case' 0 CA--C 1.499 -0.982 0 CA-C-O 121.323 0.582 . . . . 0.0 110.226 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.542 ' O ' HD12 ' B' ' 45' ' ' LEU . 6.6 tp -60.23 -48.61 81.01 Favored 'General case' 0 N--CA 1.435 -1.205 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.255 -178.625 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -67.39 -38.29 84.45 Favored 'General case' 0 C--N 1.309 -1.18 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -178.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' ALA . . . . . 0.869 ' HB3' ' SD ' ' B' ' 85' ' ' MET . . . -65.16 -41.51 94.61 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.557 0.577 . . . . 0.0 112.557 -176.022 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.546 ' HB2' ' HB ' ' B' ' 51' ' ' VAL . 0.7 OUTLIER -117.49 48.56 1.33 Allowed 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 121.167 0.508 . . . . 0.0 111.951 -177.384 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 15.6 mtpt -64.65 -43.58 93.17 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.194 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 41.5 p-10 -91.93 -1.81 57.1 Favored 'General case' 0 CA--C 1.509 -0.604 0 CA-C-N 114.992 -1.004 . . . . 0.0 111.255 -174.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' VAL . . . . . 0.747 ' O ' HG12 ' B' ' 54' ' ' VAL . 86.5 t -76.92 136.83 23.69 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.109 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.111 -179.42 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -58.71 -42.01 87.64 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.328 -177.308 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.427 ' H ' HG12 ' B' ' 51' ' ' VAL . . . -49.74 -40.9 42.46 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.729 -0.669 . . . . 0.0 112.232 -174.261 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.747 HG12 ' O ' ' B' ' 51' ' ' VAL . 11.7 p -60.56 -42.79 92.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 C-N-CA 120.077 -0.649 . . . . 0.0 110.288 -177.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -60.85 -46.55 90.13 Favored 'General case' 0 CA--C 1.5 -0.971 0 CA-C-O 121.377 0.608 . . . . 0.0 109.785 176.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 14.9 mmtp -63.52 -43.55 96.85 Favored 'General case' 0 N--CA 1.44 -0.975 0 CA-C-N 115.182 -0.917 . . . . 0.0 109.292 -174.354 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.541 ' CG1' HD12 ' B' ' 77' ' ' LEU . 66.7 t -65.96 -43.14 92.86 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.451 174.608 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 34.6 mmm -59.88 -46.02 90.64 Favored 'General case' 0 CA--C 1.506 -0.737 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' LYS . . . . . 0.555 ' HA ' ' HB2' ' B' ' 62' ' ' ASP . 0.0 OUTLIER -65.35 -42.44 92.82 Favored 'General case' 0 N--CA 1.429 -1.498 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.942 176.509 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 60' ' ' GLU . . . . . 0.401 ' O ' ' HB2' ' B' ' 63' ' ' GLU . 41.1 tt0 -60.2 -41.54 93.17 Favored 'General case' 0 C--N 1.313 -0.997 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.873 ' HG ' HD13 ' B' ' 77' ' ' LEU . 3.1 mm? -65.27 -33.86 76.97 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.473 170.756 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.555 ' HB2' ' HA ' ' B' ' 59' ' ' LYS . 32.7 m-20 -63.04 -38.1 89.84 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 175.637 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 63' ' ' GLU . . . . . 0.488 ' HG2' ' O ' ' B' ' 59' ' ' LYS . 78.9 mm-40 -62.72 -44.39 96.34 Favored 'General case' 0 CA--C 1.511 -0.54 0 N-CA-C 106.963 -1.495 . . . . 0.0 106.963 176.255 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 64' ' ' ASN . . . . . 0.535 HD21 ' CD ' ' B' ' 73' ' ' GLU . 21.6 t-20 -82.05 36.07 0.45 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.937 -1.029 . . . . 0.0 108.672 171.507 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.452 ' H ' ' C ' ' B' ' 63' ' ' GLU . . . -107.94 20.99 30.44 Favored Glycine 0 CA--C 1.496 -1.147 0 N-CA-C 109.843 -1.303 . . . . 0.0 109.843 -177.583 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -60.53 -43.11 97.53 Favored 'General case' 0 N--CA 1.441 -0.876 0 CA-C-N 115.447 -0.376 . . . . 0.0 110.178 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -171.9 -83.46 0.05 OUTLIER Glycine 0 C--N 1.317 -0.489 0 C-N-CA 120.807 -0.711 . . . . 0.0 111.508 177.36 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.478 ' OE1' ' NZ ' ' B' ' 27' ' ' LYS . 89.3 mt-10 -91.21 152.25 20.61 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.363 -0.418 . . . . 0.0 110.524 -176.841 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.554 HG23 ' HB3' ' B' ' 73' ' ' GLU . 1.5 p -127.46 128.0 69.44 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 173.006 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.436 ' CG ' ' N ' ' B' ' 71' ' ' PHE . 0.0 OUTLIER -94.6 -176.78 4.01 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 120.566 -0.453 . . . . 0.0 111.47 -174.697 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.487 ' CD1' HD13 ' B' ' 12' ' ' ILE . 63.3 t80 -61.37 -45.37 94.66 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.145 -177.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.441 ' HG3' HG11 ' A' ' 83' ' ' VAL . 36.9 mt-30 -61.96 -41.55 98.13 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.171 177.41 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.554 ' HB3' HG23 ' B' ' 69' ' ' VAL . 70.2 mt-10 -67.24 -41.14 86.14 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-O 121.369 0.604 . . . . 0.0 109.88 176.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 74' ' ' TYR . . . . . 0.778 ' CE1' HD21 ' B' ' 36' ' ' LEU . 37.1 t80 -61.83 -48.42 80.65 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.385 178.536 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.917 HG21 ' CB ' ' A' ' 79' ' ' ALA . 33.8 m -63.5 -39.58 85.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 C-N-CA 119.992 -0.683 . . . . 0.0 112.156 -175.739 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.467 HG12 ' O ' ' B' ' 73' ' ' GLU . 8.6 p -64.13 -36.73 77.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.81 -178.798 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.887 HD23 HD21 ' B' ' 33' ' ' LEU . 50.0 tp -60.9 -49.12 78.77 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.555 178.193 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.694 HG12 HD23 ' B' ' 37' ' ' LEU . 18.9 m -69.72 -41.22 79.95 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 C-N-CA 120.151 -0.62 . . . . 0.0 110.549 177.137 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.827 ' CB ' HG21 ' A' ' 75' ' ' VAL . . . -61.4 -49.46 76.81 Favored 'General case' 0 CA--C 1.508 -0.669 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.524 179.276 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.08 -46.8 84.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.112 0.482 . . . . 0.0 110.007 -178.409 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.531 ' CD1' HD11 ' B' ' 37' ' ' LEU . 98.2 mt -63.37 -41.99 98.84 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.831 176.118 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.478 HG23 ' CZ ' ' B' ' 44' ' ' PHE . 94.6 m -61.08 -51.34 69.57 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.808 -179.249 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.517 HG23 ' CH2' ' B' ' 90' ' ' TRP . 9.8 p -64.17 -42.43 95.52 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.507 0 C-N-CA 120.893 -0.323 . . . . 0.0 111.011 178.519 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -51.51 -53.72 34.67 Favored 'General case' 0 CA--C 1.505 -0.755 0 C-N-CA 120.314 -0.555 . . . . 0.0 109.528 -177.153 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 85' ' ' MET . . . . . 0.869 ' SD ' ' HB3' ' B' ' 47' ' ' ALA . 34.2 ttp -70.59 -45.82 64.59 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.241 177.383 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.573 ' OD1' ' NE1' ' B' ' 90' ' ' TRP . 4.1 t-20 -61.52 -35.59 78.14 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.732 -175.712 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 87' ' ' ASN . . . . . 0.591 ' HA ' ' CD2' ' B' ' 90' ' ' TRP . 35.9 t30 -57.68 -39.85 78.09 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 176.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.589 ' O ' ' N ' ' B' ' 92' ' ' ASN . 67.8 m-85 -63.56 -36.99 85.62 Favored 'General case' 0 C--O 1.215 -0.719 0 C-N-CA 120.284 -0.566 . . . . 0.0 109.683 173.294 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 89' ' ' PHE . . . . . 0.408 ' HB2' ' O ' ' B' ' 86' ' ' ASN . 11.0 m-85 -60.68 -39.8 89.79 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 120.818 -0.353 . . . . 0.0 111.062 176.257 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 90' ' ' TRP . . . . . 0.591 ' CD2' ' HA ' ' B' ' 87' ' ' ASN . 7.8 m0 -67.14 -51.11 57.93 Favored 'General case' 0 CA--C 1.507 -0.696 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 178.256 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -70.71 -46.15 63.64 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 114.611 -1.177 . . . . 0.0 111.313 -175.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 92' ' ' ASN . . . . . 0.589 ' N ' ' O ' ' B' ' 88' ' ' PHE . 50.6 t30 -100.51 99.75 10.39 Favored 'General case' 0 CA--C 1.501 -0.939 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 172.283 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 11.8 t . . . . . 0 C--N 1.309 -1.194 0 CA-C-O 118.403 -0.808 . . . . 0.0 111.308 -173.8 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.459 ' H3 ' ' CD ' ' A' ' 5' ' ' GLU . . . . . . . . 0 C--O 1.241 0.575 0 N-CA-C 111.776 -0.53 . . . . 0.0 111.776 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 4' ' ' LEU . 0.8 OUTLIER -85.42 -172.02 3.92 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.745 -0.228 . . . . 0.0 110.958 -178.568 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.518 ' CD ' ' H ' ' A' ' 3' ' ' GLU . 50.2 mp0 -41.87 -22.4 0.02 OUTLIER 'General case' 0 C--O 1.225 -0.188 0 C-N-CA 123.212 0.605 . . . . 0.0 111.154 179.589 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.779 HD21 HG21 ' B' ' 14' ' ' VAL . 4.2 mm? -59.94 -43.97 94.64 Favored 'General case' 0 N--CA 1.444 -0.731 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 -178.503 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.459 ' CD ' ' H3 ' ' A' ' 1' ' ' GLY . 96.8 mt-10 -67.25 -43.54 81.68 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.151 -0.62 . . . . 0.0 111.116 178.555 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.7 m -60.2 -45.84 91.79 Favored 'General case' 0 C--O 1.244 0.777 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 176.71 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.43 -50.05 74.26 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 109.823 177.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.445 ' HG2' ' O ' ' A' ' 4' ' ' LEU . 94.5 mmm -64.98 -42.7 94.3 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.469 -0.492 . . . . 0.0 110.689 177.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -63.45 -36.67 84.53 Favored 'General case' 0 CA--C 1.51 -0.587 0 C-N-CA 120.108 -0.637 . . . . 0.0 110.983 178.48 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 18.9 m -58.4 -45.03 89.18 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 175.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.882 HD11 ' SD ' ' B' ' 8' ' ' MET . 82.0 mt -62.59 -41.82 99.2 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.11 174.451 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 18.8 mm -62.54 -44.33 99.23 Favored 'Isoleucine or valine' 0 C--O 1.239 0.549 0 CA-C-O 120.962 0.41 . . . . 0.0 109.974 -179.171 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 20.3 m120 -61.55 -44.31 97.27 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.406 -175.431 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.8 HG21 HD11 ' B' ' 4' ' ' LEU . 92.2 t -63.76 -45.41 97.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 176.62 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -59.31 -48.06 83.06 Favored 'General case' 0 C--O 1.24 0.561 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.123 178.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -65.66 -39.94 91.89 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.733 176.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.87 -40.88 90.16 Favored 'General case' 0 CA--C 1.515 -0.371 0 C-N-CA 120.446 -0.501 . . . . 0.0 110.221 179.085 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.433 ' HB3' ' CD1' ' A' ' 28' ' ' LEU . 53.6 m-70 -82.44 -14.71 54.65 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.876 177.466 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.411 ' O ' ' N ' ' A' ' 23' ' ' GLY . 62.3 m -58.43 -37.75 76.04 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 120.012 -0.675 . . . . 0.0 110.001 178.031 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -56.48 -20.27 29.83 Favored Glycine 0 CA--C 1.523 0.557 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.693 178.22 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.6 mmtp -62.24 -43.01 99.79 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 122.789 -0.242 . . . . 0.0 110.74 -176.626 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -162.68 -3.13 0.04 OUTLIER 'General case' 0 C--O 1.22 -0.451 0 CA-C-N 116.64 -0.255 . . . . 0.0 111.177 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 19' ' ' SER . . . -60.23 143.42 47.51 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.725 -0.55 . . . . 0.0 111.725 -173.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -60.07 -48.98 79.46 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-O 121.346 0.593 . . . . 0.0 109.764 178.008 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.423 ' NZ ' ' OE1' ' B' ' 91' ' ' GLU . 0.0 OUTLIER -140.92 -72.75 0.35 Allowed 'General case' 0 CA--C 1.492 -1.275 0 N-CA-C 107.182 -1.414 . . . . 0.0 107.182 171.823 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.489 ' OH ' ' HB2' ' B' ' 90' ' ' TRP . 0.2 OUTLIER -123.56 91.63 3.51 Favored 'General case' 0 N--CA 1.427 -1.604 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 172.79 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.413 ' HG2' ' C ' ' A' ' 26' ' ' TYR . 3.4 mmmm -158.3 156.54 30.8 Favored 'General case' 0 CA--C 1.498 -1.02 0 N-CA-C 107.125 -1.435 . . . . 0.0 107.125 178.404 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.661 HD11 ' CB ' ' A' ' 32' ' ' GLU . 44.8 tp -124.53 133.51 53.29 Favored 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 179.304 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.404 ' HA ' ' HA ' ' A' ' 68' ' ' GLU . 11.0 p -81.41 158.44 24.61 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 119.523 -0.871 . . . . 0.0 110.125 176.71 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.566 ' CD ' ' HB ' ' A' ' 69' ' ' VAL . 4.0 mmtm -69.68 -6.95 35.02 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 119.477 -0.889 . . . . 0.0 111.713 -175.566 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.436 ' H ' ' HG3' ' A' ' 31' ' ' LYS . 40.0 mttt -66.26 -51.29 58.99 Favored 'General case' 0 CA--C 1.497 -1.092 0 N-CA-C 107.522 -1.288 . . . . 0.0 107.522 179.26 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.661 ' CB ' HD11 ' A' ' 28' ' ' LEU . 68.3 mm-40 -70.88 -33.33 70.49 Favored 'General case' 0 N--CA 1.432 -1.367 0 CA-C-N 113.454 -1.703 . . . . 0.0 110.142 178.535 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.856 HD11 HD22 ' A' ' 77' ' ' LEU . 3.1 tm? -58.26 -51.26 70.49 Favored 'General case' 0 N--CA 1.445 -0.725 0 C-N-CA 120.277 -0.569 . . . . 0.0 109.626 -173.651 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -68.91 -42.47 76.83 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.858 174.543 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -69.35 -42.64 75.0 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.008 -0.542 . . . . 0.0 112.108 -175.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.497 ' O ' HD12 ' A' ' 36' ' ' LEU . 0.2 OUTLIER -80.14 -39.76 28.78 Favored 'General case' 0 C--O 1.239 0.524 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -178.199 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.618 HD13 ' C ' ' A' ' 37' ' ' LEU . 2.9 tm? -61.41 -44.55 96.95 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.521 -0.472 . . . . 0.0 110.666 -175.619 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.425 ' HG3' ' N ' ' A' ' 39' ' ' THR . 8.7 pt20 -59.2 -42.13 90.19 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.294 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.425 ' N ' ' HG3' ' A' ' 38' ' ' GLN . 0.1 OUTLIER -64.74 -53.06 53.05 Favored 'General case' 0 N--CA 1.432 -1.337 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.454 -178.524 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.668 ' HB3' HD12 ' B' ' 4' ' ' LEU . 70.1 mm-40 -70.65 -39.44 73.64 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-N 115.697 -0.683 . . . . 0.0 112.634 -171.689 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.419 HD21 ' HB ' ' A' ' 78' ' ' VAL . 10.9 mp -108.48 36.48 2.81 Favored 'General case' 0 C--O 1.242 0.675 0 CA-C-O 121.037 0.446 . . . . 0.0 109.973 -178.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.23 -34.86 72.7 Favored 'General case' 0 C--N 1.309 -1.172 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.599 -176.325 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.73 -47.07 79.57 Favored Glycine 0 C--O 1.241 0.563 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 178.265 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.497 ' O ' ' HG3' ' A' ' 48' ' ' GLN . 20.8 m-85 -69.29 -44.78 71.11 Favored 'General case' 0 CA--C 1.486 -1.492 0 CA-C-O 121.286 0.565 . . . . 0.0 109.503 176.472 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.548 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 49.1 tp -60.11 -46.45 89.56 Favored 'General case' 0 N--CA 1.423 -1.822 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.262 -178.695 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.487 ' HA ' ' HE3' ' A' ' 49' ' ' LYS . 22.1 t70 -63.96 -36.25 83.35 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 175.806 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.88 -39.49 94.32 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.71 178.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.497 ' HG3' ' O ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -117.66 39.08 3.42 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 114.142 1.164 . . . . 0.0 114.142 -177.972 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.548 ' HG3' ' O ' ' A' ' 45' ' ' LEU . 78.7 mttt -64.05 -38.05 89.68 Favored 'General case' 0 C--N 1.316 -0.88 0 C-N-CA 120.303 -0.559 . . . . 0.0 110.021 173.073 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -89.09 12.03 16.81 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.91 -175.704 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 77.7 t -98.31 132.8 42.62 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 -179.046 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.421 ' OD1' ' NZ ' ' A' ' 56' ' ' LYS . 25.7 t70 -53.14 -44.19 67.56 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.05 0.452 . . . . 0.0 111.323 -176.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.683 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -56.17 -24.29 40.47 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 115.641 -0.708 . . . . 0.0 111.539 -177.786 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.564 ' O ' ' HG3' ' A' ' 58' ' ' MET . 1.3 p -58.87 -47.15 90.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 C-N-CA 119.726 -0.79 . . . . 0.0 110.581 -178.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.436 ' OD2' ' NZ ' ' A' ' 59' ' ' LYS . 34.1 t70 -71.07 -46.81 61.24 Favored 'General case' 0 CA--C 1.509 -0.6 0 CA-C-O 121.155 0.502 . . . . 0.0 111.686 178.572 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.451 ' CD ' ' N ' ' A' ' 56' ' ' LYS . 0.1 OUTLIER -60.79 -41.7 96.09 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.279 -174.106 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.683 HG23 ' O ' ' A' ' 53' ' ' ALA . 89.6 t -60.99 -46.64 96.26 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.052 0 C-N-CA 119.663 -0.815 . . . . 0.0 109.67 -177.66 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.583 ' O ' ' N ' ' A' ' 62' ' ' ASP . 2.5 mtm -64.12 -39.21 93.55 Favored 'General case' 0 CA--C 1.505 -0.759 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 175.693 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.436 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP . 1.2 tppp? -60.81 -43.81 97.69 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.881 -175.495 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -61.77 -43.02 99.68 Favored 'General case' 0 C--O 1.248 0.996 0 N-CA-C 108.882 -0.785 . . . . 0.0 108.882 174.634 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.624 HD11 ' HB2' ' A' ' 77' ' ' LEU . 88.8 mt -64.39 -41.11 96.85 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.751 177.677 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.583 ' N ' ' O ' ' A' ' 58' ' ' MET . 59.0 m-20 -65.08 -38.37 90.54 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.74 -177.31 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -66.23 -36.47 83.11 Favored 'General case' 0 CA--C 1.52 -0.205 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 175.047 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.476 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . 3.9 m-20 -85.87 12.13 9.86 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 114.739 -1.119 . . . . 0.0 108.623 168.213 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.528 ' N ' ' O ' ' A' ' 61' ' ' LEU . . . -94.53 39.62 2.87 Favored Glycine 0 CA--C 1.496 -1.139 0 N-CA-C 110.688 -0.965 . . . . 0.0 110.688 -176.371 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -61.42 -37.83 84.93 Favored 'General case' 0 N--CA 1.44 -0.94 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 178.137 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -170.79 -57.44 0.04 OUTLIER Glycine 0 CA--C 1.525 0.67 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.334 176.369 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.514 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . 58.6 mt-10 -91.46 156.03 18.01 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 -176.328 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.848 HG11 ' HB2' ' A' ' 33' ' ' LEU . 2.1 p -129.04 127.61 66.17 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.113 0 N-CA-C 106.47 -1.678 . . . . 0.0 106.47 163.284 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.55 ' CG ' ' N ' ' A' ' 71' ' ' PHE . 12.1 t70 -92.97 176.44 6.42 Favored 'General case' 0 C--N 1.308 -1.223 0 C-N-CA 120.22 -0.592 . . . . 0.0 109.718 -179.266 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.694 ' O ' HG22 ' A' ' 75' ' ' VAL . 49.0 t80 -59.06 -41.22 87.4 Favored 'General case' 0 C--N 1.308 -1.212 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 179.013 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -55.87 -44.55 78.21 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.813 -1.085 . . . . 0.0 110.43 177.584 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.78 ' HB2' HG23 ' A' ' 69' ' ' VAL . 77.7 mt-10 -69.99 -40.68 75.18 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 121.494 0.664 . . . . 0.0 109.766 175.83 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.498 ' OH ' HD13 ' B' ' 4' ' ' LEU . 33.0 t80 -61.73 -48.03 82.56 Favored 'General case' 0 C--O 1.242 0.674 0 CA-C-N 115.568 -0.742 . . . . 0.0 112.021 -177.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.939 HG21 ' CB ' ' B' ' 79' ' ' ALA . 14.1 m -62.83 -41.61 93.19 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 C-N-CA 120.242 -0.583 . . . . 0.0 111.899 -177.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.489 HG12 ' O ' ' A' ' 73' ' ' GLU . 14.6 p -64.94 -38.32 82.47 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.64 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.686 179.53 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.856 HD22 HD11 ' A' ' 33' ' ' LEU . 49.0 tp -60.8 -49.04 79.08 Favored 'General case' 0 CA--C 1.507 -0.674 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.604 179.502 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.472 HG12 HD23 ' A' ' 37' ' ' LEU . 24.3 m -68.26 -43.91 84.3 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 C-N-CA 120.006 -0.678 . . . . 0.0 110.476 177.238 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.861 ' CB ' HG21 ' B' ' 75' ' ' VAL . . . -62.6 -46.66 87.27 Favored 'General case' 0 CA--C 1.51 -0.56 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.932 -178.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.404 ' HA ' HG12 ' A' ' 83' ' ' VAL . . . -58.09 -47.88 81.86 Favored 'General case' 0 CA--C 1.509 -0.603 0 CA-C-O 121.092 0.472 . . . . 0.0 110.156 -177.328 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.456 ' HB3' ' NE2' ' A' ' 48' ' ' GLN . 93.8 mt -63.17 -41.99 99.33 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.67 177.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.505 HG22 HG13 ' B' ' 12' ' ' ILE . 20.2 m -63.35 -52.6 61.1 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.001 179.063 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.442 HG22 ' ND2' ' A' ' 87' ' ' ASN . 11.3 p -63.57 -41.46 92.72 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.62 0 C-N-CA 120.351 -0.54 . . . . 0.0 110.371 -179.03 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -49.78 -59.56 3.72 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.942 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.543 ' O ' ' N ' ' A' ' 89' ' ' PHE . 89.9 mmm -66.94 -42.96 84.41 Favored 'General case' 0 CA--C 1.501 -0.938 0 N-CA-C 113.449 0.907 . . . . 0.0 113.449 175.509 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.428 ' O ' ' CD1' ' A' ' 90' ' ' TRP . 10.0 m120 -63.01 -44.69 95.27 Favored 'General case' 0 C--N 1.314 -0.935 0 C-N-CA 119.023 -1.071 . . . . 0.0 111.734 -175.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.442 ' ND2' HG22 ' A' ' 83' ' ' VAL . 90.1 m-20 -66.38 -41.88 88.76 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.328 0.585 . . . . 0.0 110.205 175.564 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -61.56 -43.42 98.89 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.669 176.45 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.543 ' N ' ' O ' ' A' ' 85' ' ' MET . 0.5 OUTLIER -46.59 -45.98 19.25 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.963 -173.205 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.541 ' NE1' ' CE1' ' B' ' 16' ' ' HIS . 43.4 m95 -61.35 -82.12 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 -178.46 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.424 ' OE1' ' NZ ' ' B' ' 25' ' ' LYS . 0.1 OUTLIER -109.42 -82.05 0.57 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.504 0.669 . . . . 0.0 111.491 175.252 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -143.54 -154.06 0.5 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.837 -1.074 . . . . 0.0 108.832 178.579 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 C--O 1.219 -0.525 0 CA-C-O 117.685 -1.15 . . . . 0.0 111.003 175.032 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.462 0.383 0 N-CA-C 110.717 -0.953 . . . . 0.0 110.717 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 17.0 m -58.53 153.51 15.96 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 120.904 0.383 . . . . 0.0 110.376 -178.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -47.32 -26.44 1.26 Allowed 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 174.776 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.851 HD22 HD23 ' A' ' 11' ' ' LEU . 58.0 mt -62.11 -42.84 99.63 Favored 'General case' 0 N--CA 1.435 -1.213 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.277 -179.389 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -63.0 -43.16 99.54 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 119.871 -0.732 . . . . 0.0 109.09 176.389 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.424 ' O ' ' N ' ' B' ' 10' ' ' THR . 7.2 m -62.05 -46.91 87.07 Favored 'General case' 0 C--O 1.246 0.884 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.885 176.208 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.51 -47.68 83.32 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.96 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' MET . . . . . 0.882 ' SD ' HD11 ' A' ' 11' ' ' LEU . 88.7 mmm -63.63 -41.63 98.24 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.553 179.015 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -65.41 -37.26 86.4 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 119.872 -0.731 . . . . 0.0 110.274 175.24 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.424 ' N ' ' O ' ' B' ' 6' ' ' THR . 14.3 m -59.48 -44.21 93.1 Favored 'General case' 0 C--O 1.238 0.467 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 176.26 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.59 HD23 ' CD1' ' A' ' 4' ' ' LEU . 85.2 mt -61.91 -41.84 98.38 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.417 176.107 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.505 HG13 HG22 ' A' ' 82' ' ' THR . 19.3 mm -62.52 -43.32 98.26 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.686 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 177.848 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -59.62 -44.09 93.58 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 -176.633 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.779 HG21 HD21 ' A' ' 4' ' ' LEU . 94.8 t -62.73 -48.76 86.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.615 175.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -60.89 -49.31 77.97 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.174 -179.398 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.681 ' CE1' ' HB3' ' B' ' 26' ' ' TYR . 1.9 m-70 -66.24 -38.79 88.71 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.309 178.762 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.17 -47.59 82.93 Favored 'General case' 0 CA--C 1.517 -0.322 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 176.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 77.7 m-70 -70.57 -31.56 68.63 Favored 'General case' 0 C--O 1.218 -0.586 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.32 175.675 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.487 ' HB3' ' HA ' ' B' ' 26' ' ' TYR . 24.2 m -52.93 -40.94 64.01 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 119.834 -0.746 . . . . 0.0 109.58 179.353 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -54.09 -24.41 28.11 Favored Glycine 0 CA--C 1.521 0.425 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 178.004 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 12.6 mmtp -62.47 -43.32 99.1 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 -178.596 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.47 ' OE1' ' HE3' ' B' ' 31' ' ' LYS . 28.4 tt0 -165.88 -68.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.124 0.487 . . . . 0.0 110.793 -175.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -34.58 89.71 0.01 OUTLIER Glycine 0 CA--C 1.522 0.509 0 CA-C-N 114.749 -1.114 . . . . 0.0 113.591 -171.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.625 ' CG ' ' H ' ' B' ' 25' ' ' LYS . 41.8 t0 36.03 -158.83 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.409 0.684 . . . . 0.0 111.851 175.703 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.625 ' H ' ' CG ' ' B' ' 24' ' ' ASP . 27.5 pttt -62.91 -46.36 88.16 Favored 'General case' 0 CA--C 1.505 -0.775 0 C-N-CA 119.827 -0.749 . . . . 0.0 109.822 178.799 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.681 ' HB3' ' CE1' ' B' ' 16' ' ' HIS . 0.2 OUTLIER -145.47 93.6 2.39 Favored 'General case' 0 N--CA 1.441 -0.877 0 CA-C-N 115.606 -0.724 . . . . 0.0 111.181 170.117 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.453 ' O ' ' HA ' ' B' ' 19' ' ' SER . 5.3 mmmm -155.36 167.55 30.01 Favored 'General case' 0 C--N 1.309 -1.179 0 N-CA-C 106.95 -1.5 . . . . 0.0 106.95 175.276 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.508 ' HB3' HG13 ' B' ' 69' ' ' VAL . 48.8 tp -122.57 128.9 51.32 Favored 'General case' 0 C--N 1.307 -1.266 0 C-N-CA 119.788 -0.765 . . . . 0.0 110.377 -178.567 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 8.3 p -81.99 159.57 23.5 Favored 'General case' 0 C--O 1.238 0.492 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 176.574 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.437 ' NZ ' ' O ' ' B' ' 61' ' ' LEU . 10.3 mmmm -71.73 -7.61 49.17 Favored 'General case' 0 C--N 1.317 -0.821 0 C-N-CA 119.896 -0.722 . . . . 0.0 109.733 -176.775 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.47 ' HE3' ' OE1' ' B' ' 22' ' ' GLU . 69.2 mttt -68.83 -57.26 5.81 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 122.337 1.065 . . . . 0.0 108.95 -178.176 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.447 ' HB2' HD11 ' B' ' 28' ' ' LEU . 71.4 mm-40 -71.66 -36.95 70.84 Favored 'General case' 0 N--CA 1.422 -1.834 0 CA-C-N 113.362 -1.744 . . . . 0.0 110.153 -178.621 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.645 HD13 ' C ' ' B' ' 33' ' ' LEU . 3.1 tm? -58.57 -46.07 87.68 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.147 -174.427 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.463 ' NZ ' ' OD1' ' B' ' 62' ' ' ASP . 68.4 mttm -64.17 -43.36 95.4 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 119.759 -0.776 . . . . 0.0 110.108 178.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -70.05 -49.91 46.48 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.063 -178.311 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.48 ' O ' HD12 ' B' ' 36' ' ' LEU . 0.1 OUTLIER -64.08 -43.06 96.59 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 112.497 0.554 . . . . 0.0 112.497 -179.414 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.614 HD23 HG12 ' B' ' 78' ' ' VAL . 2.5 tm? -61.78 -45.43 93.92 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.257 -0.577 . . . . 0.0 110.24 -177.059 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.408 ' HG2' ' O ' ' B' ' 34' ' ' LYS . 11.0 pt20 -68.49 -39.39 81.35 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 120.161 -0.616 . . . . 0.0 110.995 175.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 97.6 m -62.15 -49.6 75.21 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.212 -177.623 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -82.63 -42.3 18.37 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.603 0.594 . . . . 0.0 112.603 -170.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.597 HD22 HD21 ' B' ' 37' ' ' LEU . 11.0 mp -88.18 44.08 1.17 Allowed 'General case' 0 CA--C 1.514 -0.427 0 CA-C-O 121.045 0.45 . . . . 0.0 110.517 -178.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -55.69 -39.04 70.45 Favored 'General case' 0 C--N 1.308 -1.236 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.687 -176.286 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.42 -49.58 43.98 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.565 -0.614 . . . . 0.0 111.565 179.216 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.544 ' CZ ' HG23 ' B' ' 82' ' ' THR . 60.8 m-85 -68.1 -40.51 82.57 Favored 'General case' 0 CA--C 1.499 -1.017 0 CA-C-O 121.17 0.51 . . . . 0.0 110.11 177.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.408 HD22 ' HA ' ' B' ' 38' ' ' GLN . 19.4 tp -57.86 -48.24 80.39 Favored 'General case' 0 CA--C 1.498 -1.044 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.342 176.733 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.594 ' HA ' ' NZ ' ' B' ' 49' ' ' LYS . 32.8 t70 -70.65 -34.21 71.8 Favored 'General case' 0 C--N 1.301 -1.53 0 C-N-CA 120.225 -0.59 . . . . 0.0 111.76 176.496 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 47' ' ' ALA . . . . . 0.497 ' HB1' ' SD ' ' B' ' 85' ' ' MET . . . -62.9 -38.32 90.46 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.439 -179.332 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.505 ' HG3' ' O ' ' B' ' 44' ' ' PHE . 0.0 OUTLIER -119.86 55.71 0.97 Allowed 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 -177.944 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.594 ' NZ ' ' HA ' ' B' ' 46' ' ' ASP . 39.2 mttp -66.61 -43.36 85.02 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.113 -0.635 . . . . 0.0 111.436 171.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 39.1 p-10 -94.07 4.22 54.2 Favored 'General case' 0 CA--C 1.509 -0.619 0 CA-C-N 115.432 -0.804 . . . . 0.0 112.369 -171.114 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 51' ' ' VAL . . . . . 0.704 ' O ' HG12 ' B' ' 54' ' ' VAL . 16.5 t -85.14 122.04 37.76 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.89 0 C-N-CA 119.862 -0.735 . . . . 0.0 109.096 177.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -59.17 -35.06 72.87 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-O 121.334 0.588 . . . . 0.0 110.237 -177.465 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.459 ' O ' HG23 ' B' ' 57' ' ' VAL . . . -54.75 -28.79 51.14 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.197 -0.91 . . . . 0.0 111.816 -177.687 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.704 HG12 ' O ' ' B' ' 51' ' ' VAL . 8.5 p -59.63 -46.84 92.84 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 C-N-CA 119.307 -0.957 . . . . 0.0 109.961 -178.379 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.571 ' O ' ' N ' ' B' ' 59' ' ' LYS . 10.6 t70 -59.38 -49.71 76.76 Favored 'General case' 0 CA--C 1.5 -0.973 0 C-N-CA 120.641 -0.424 . . . . 0.0 110.612 176.128 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 56' ' ' LYS . . . . . 0.479 ' HD2' ' N ' ' B' ' 56' ' ' LYS . 3.6 mptp? -63.5 -42.77 98.49 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-N 115.483 -0.78 . . . . 0.0 112.316 -174.713 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.682 HG12 HD12 ' B' ' 77' ' ' LEU . 64.4 t -63.44 -44.16 98.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 174.239 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 58' ' ' MET . . . . . 0.435 ' CG ' ' O ' ' B' ' 54' ' ' VAL . 11.0 mmm -62.53 -40.11 95.74 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.44 176.109 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 59' ' ' LYS . . . . . 0.571 ' N ' ' O ' ' B' ' 55' ' ' ASP . 2.5 tppm? -62.19 -42.0 98.87 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.401 -175.693 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -64.81 -37.38 87.41 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.193 176.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.61 ' HG ' HD22 ' B' ' 77' ' ' LEU . 1.3 mm? -62.26 -39.34 92.59 Favored 'General case' 0 C--N 1.309 -1.163 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 171.702 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.463 ' OD1' ' NZ ' ' B' ' 34' ' ' LYS . 56.0 m-20 -62.17 -38.02 87.48 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.907 174.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 63' ' ' GLU . . . . . 0.562 ' C ' ' H ' ' B' ' 65' ' ' GLY . 45.6 mt-10 -60.93 -40.4 93.1 Favored 'General case' 0 CA--C 1.501 -0.914 0 N-CA-C 107.872 -1.159 . . . . 0.0 107.872 175.297 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -74.79 37.14 0.11 Allowed 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 114.789 -1.096 . . . . 0.0 109.684 171.73 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.562 ' H ' ' C ' ' B' ' 63' ' ' GLU . . . -105.82 19.17 39.09 Favored Glycine 0 CA--C 1.509 -0.341 0 N-CA-C 108.695 -1.762 . . . . 0.0 108.695 178.136 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -61.9 -37.76 85.82 Favored 'General case' 0 CA--C 1.512 -0.497 0 CA-C-N 115.117 -0.542 . . . . 0.0 109.977 -179.189 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -156.76 -65.14 0.01 OUTLIER Glycine 0 C--N 1.317 -0.502 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.437 179.332 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 79.6 mt-10 -138.71 165.53 26.73 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 122.897 0.479 . . . . 0.0 109.736 -175.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.508 HG13 ' HB3' ' B' ' 28' ' ' LEU . 2.2 p -118.56 131.28 71.81 Favored 'Isoleucine or valine' 0 C--O 1.241 0.634 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 173.239 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.421 ' CG ' ' N ' ' B' ' 71' ' ' PHE . 0.0 OUTLIER -92.45 175.93 6.65 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.773 0.32 . . . . 0.0 111.099 -174.188 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.457 ' CD1' HD13 ' B' ' 12' ' ' ILE . 54.8 t80 -61.98 -46.17 90.41 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.003 0.43 . . . . 0.0 110.572 -178.342 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -60.62 -40.06 90.52 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.042 177.382 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.506 ' HB3' HG23 ' B' ' 69' ' ' VAL . 95.6 mt-10 -67.3 -42.33 83.91 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.057 174.053 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -62.42 -49.32 75.93 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.424 0.528 . . . . 0.0 112.424 177.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.861 HG21 ' CB ' ' A' ' 79' ' ' ALA . 34.6 m -64.83 -38.28 82.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 C-N-CA 119.669 -0.813 . . . . 0.0 112.318 -176.651 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.466 HG12 ' O ' ' B' ' 73' ' ' GLU . 13.0 p -64.0 -36.69 77.64 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 C-N-CA 119.71 -0.796 . . . . 0.0 110.347 -178.249 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.682 HD12 HG12 ' B' ' 57' ' ' VAL . 49.6 tp -60.19 -49.11 78.91 Favored 'General case' 0 CA--C 1.507 -0.675 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.38 179.207 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.614 HG12 HD23 ' B' ' 37' ' ' LEU . 14.1 m -69.63 -43.24 80.44 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.048 0 C-N-CA 120.148 -0.621 . . . . 0.0 110.397 176.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.939 ' CB ' HG21 ' A' ' 75' ' ' VAL . . . -60.01 -48.55 81.25 Favored 'General case' 0 CA--C 1.514 -0.416 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.856 -179.692 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.62 -46.24 84.36 Favored 'General case' 0 CA--C 1.51 -0.584 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -178.658 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.438 ' O ' ' HB2' ' B' ' 85' ' ' MET . 93.7 mt -64.06 -43.11 96.48 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.512 176.373 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.544 HG23 ' CZ ' ' B' ' 44' ' ' PHE . 21.2 m -62.17 -50.45 71.8 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.571 -178.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.444 HG13 ' N ' ' B' ' 84' ' ' ALA . 13.6 p -62.22 -46.48 96.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.469 -176.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 0.444 ' N ' HG13 ' B' ' 83' ' ' VAL . . . -62.83 -51.6 66.41 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.607 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 85' ' ' MET . . . . . 0.497 ' SD ' ' HB1' ' B' ' 47' ' ' ALA . 2.4 tmm? -65.64 -45.82 81.58 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.499 179.702 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.41 ' O ' ' HB2' ' B' ' 89' ' ' PHE . 17.9 t-20 -66.99 -45.92 76.17 Favored 'General case' 0 CA--C 1.513 -0.466 0 C-N-CA 120.031 -0.668 . . . . 0.0 112.652 -176.859 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -64.15 -39.76 94.69 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 120.396 -0.521 . . . . 0.0 109.868 -178.733 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -51.78 -24.43 5.94 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.151 -179.406 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 89' ' ' PHE . . . . . 0.41 ' HB2' ' O ' ' B' ' 86' ' ' ASN . 14.0 m-85 -59.41 -43.42 93.04 Favored 'General case' 0 CA--C 1.511 -0.536 0 C-N-CA 120.678 -0.409 . . . . 0.0 111.856 -179.538 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 90' ' ' TRP . . . . . 0.489 ' HB2' ' OH ' ' A' ' 26' ' ' TYR . 43.8 m95 -81.39 -83.29 0.12 Allowed 'General case' 0 C--N 1.315 -0.914 0 C-N-CA 120.654 -0.418 . . . . 0.0 112.004 -172.787 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 91' ' ' GLU . . . . . 0.423 ' OE1' ' NZ ' ' A' ' 25' ' ' LYS . 21.2 mt-10 -108.19 -83.14 0.55 Allowed 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 119.455 -0.898 . . . . 0.0 112.08 -179.207 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 92' ' ' ASN . . . . . 0.403 ' OD1' ' N ' ' B' ' 93' ' ' SER . 18.6 t-20 -145.11 168.49 20.22 Favored 'General case' 0 CA--C 1.504 -0.818 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.487 176.229 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 93' ' ' SER . . . . . 0.403 ' N ' ' OD1' ' B' ' 92' ' ' ASN . 2.2 m . . . . . 0 C--N 1.326 -0.452 0 CA-C-O 118.69 -0.672 . . . . 0.0 110.604 173.725 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.25 0 N-CA-C 110.697 -0.961 . . . . 0.0 110.697 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 m -61.48 172.68 1.1 Allowed 'General case' 0 C--N 1.315 -0.927 0 CA-C-O 120.908 0.385 . . . . 0.0 110.813 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.455 ' H ' ' CD ' ' A' ' 3' ' ' GLU . 2.0 mp0 -52.14 -31.49 31.28 Favored 'General case' 0 CA--C 1.511 -0.526 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 -179.529 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.729 HD21 HG21 ' B' ' 14' ' ' VAL . 1.4 mm? -61.17 -43.48 98.82 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.166 -177.392 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 -65.44 -43.32 90.79 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 119.477 -0.889 . . . . 0.0 109.709 178.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.469 ' O ' ' N ' ' A' ' 10' ' ' THR . 19.1 m -62.51 -46.66 87.39 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.766 174.357 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 3' ' ' GLU . . . -56.19 -48.93 75.43 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.194 -179.61 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.748 ' SD ' HD11 ' B' ' 11' ' ' LEU . 97.3 mmm -64.47 -41.67 96.37 Favored 'General case' 0 CA--C 1.516 -0.348 0 C-N-CA 120.343 -0.543 . . . . 0.0 110.669 177.489 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -65.53 -34.32 77.99 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.078 -0.649 . . . . 0.0 111.434 176.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.469 ' N ' ' O ' ' A' ' 6' ' ' THR . 11.5 m -57.47 -44.32 84.75 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 176.387 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.948 HD23 HD22 ' B' ' 4' ' ' LEU . 87.7 mt -62.97 -40.36 97.5 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.663 174.635 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.58 HD13 ' CD1' ' A' ' 71' ' ' PHE . 22.7 mm -62.57 -43.69 98.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 178.575 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -60.53 -47.28 86.87 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.028 -177.408 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.55 HG11 HD11 ' B' ' 4' ' ' LEU . 28.4 m -66.45 -39.97 85.37 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.668 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.425 176.397 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.457 ' CE1' ' HB2' ' A' ' 28' ' ' LEU . 73.1 t80 -59.13 -47.89 83.62 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.675 176.842 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.532 ' CD2' HG22 ' A' ' 12' ' ' ILE . 21.5 m-70 -64.66 -40.02 94.7 Favored 'General case' 0 C--O 1.238 0.465 0 C-N-CA 120.57 -0.452 . . . . 0.0 109.896 177.609 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.567 ' O ' ' NZ ' ' A' ' 21' ' ' LYS . . . -57.37 -50.48 72.84 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.529 179.188 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.402 ' NE2' ' HB2' ' A' ' 36' ' ' LEU . 83.1 m-70 -72.71 -36.04 67.73 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.866 178.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 70.5 m -57.26 -41.02 78.87 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.347 -0.541 . . . . 0.0 109.787 178.308 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.75 -5.54 13.76 Favored Glycine 0 CA--C 1.526 0.748 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.081 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.567 ' NZ ' ' O ' ' A' ' 17' ' ' ALA . 48.4 mmtm -95.86 -82.4 0.39 Allowed 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 117.221 0.511 . . . . 0.0 111.604 -177.453 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.411 ' HG3' ' HD2' ' A' ' 31' ' ' LYS . 77.4 mm-40 -95.18 -17.17 21.99 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.806 -176.313 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -87.64 -175.04 48.44 Favored Glycine 0 C--N 1.314 -0.642 0 N-CA-C 111.683 -0.567 . . . . 0.0 111.683 -174.636 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.495 ' CG ' ' H ' ' A' ' 25' ' ' LYS . 51.7 t0 -82.54 -154.9 0.14 Allowed 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 107.478 -1.305 . . . . 0.0 107.478 176.504 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.495 ' H ' ' CG ' ' A' ' 24' ' ' ASP . 0.0 OUTLIER -56.43 -47.57 78.8 Favored 'General case' 0 CA--C 1.503 -0.835 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 175.784 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.479 ' CE2' ' HD3' ' A' ' 25' ' ' LYS . 1.5 p90 -138.85 93.92 2.76 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.386 174.36 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.488 ' NZ ' ' HB3' ' A' ' 70' ' ' ASP . 3.1 mmtt -163.63 157.15 19.01 Favored 'General case' 0 CA--C 1.503 -0.845 0 CA-C-N 114.91 -1.041 . . . . 0.0 109.45 173.148 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.463 ' O ' HG13 ' A' ' 69' ' ' VAL . 33.1 tp -122.75 125.1 44.84 Favored 'General case' 0 N--CA 1.437 -1.079 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 175.738 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.5 p -83.91 164.76 19.22 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.131 178.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.566 ' NZ ' ' OD1' ' A' ' 64' ' ' ASN . 0.4 OUTLIER -70.68 -6.45 37.25 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 120.312 -0.555 . . . . 0.0 110.562 -177.425 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.462 ' H ' ' HG3' ' A' ' 31' ' ' LYS . 35.4 mttt -77.86 -60.25 2.45 Favored 'General case' 0 CA--C 1.501 -0.911 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 178.619 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.426 ' O ' ' HB3' ' A' ' 36' ' ' LEU . 80.4 mm-40 -61.77 -39.39 91.47 Favored 'General case' 0 N--CA 1.431 -1.398 0 CA-C-N 113.801 -1.545 . . . . 0.0 109.342 179.245 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.769 HD11 HD22 ' A' ' 77' ' ' LEU . 3.0 tm? -60.02 -47.95 83.71 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.555 -176.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.2 pttp -73.05 -44.5 60.65 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 119.317 -0.953 . . . . 0.0 110.799 178.26 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -61.52 -54.35 44.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.453 -179.087 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.46 ' HG ' ' N ' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -64.36 -43.65 93.86 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 178.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.752 HD21 HD22 ' A' ' 41' ' ' LEU . 3.1 tm? -61.51 -48.51 80.71 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.208 -0.597 . . . . 0.0 111.091 -176.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.511 ' HB2' ' CD2' ' A' ' 45' ' ' LEU . 14.1 pt20 -67.07 -41.13 86.95 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 119.767 -0.773 . . . . 0.0 110.439 178.172 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 98.6 m -63.47 -53.43 52.17 Favored 'General case' 0 N--CA 1.441 -0.903 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.308 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.778 ' HB3' HD12 ' B' ' 4' ' ' LEU . 76.7 mm-40 -75.34 -40.94 57.72 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 -173.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.752 HD22 HD21 ' A' ' 37' ' ' LEU . 11.2 mp -94.86 31.48 1.83 Allowed 'General case' 0 CA--C 1.505 -0.784 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 179.148 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.0 -33.81 67.52 Favored 'General case' 0 N--CA 1.434 -1.264 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.267 -177.286 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -63.83 -48.86 72.54 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 176.267 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.456 ' O ' ' NE2' ' A' ' 48' ' ' GLN . 52.0 m-85 -66.93 -45.52 77.6 Favored 'General case' 0 CA--C 1.492 -1.275 0 CA-C-O 121.687 0.756 . . . . 0.0 109.296 176.647 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.522 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 47.1 tp -61.47 -48.37 81.43 Favored 'General case' 0 N--CA 1.425 -1.708 0 CA-C-N 114.902 -1.045 . . . . 0.0 111.234 -177.827 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -63.59 -39.28 93.98 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.924 0.392 . . . . 0.0 110.837 176.506 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.443 ' HB3' ' SD ' ' A' ' 85' ' ' MET . . . -62.49 -40.22 95.99 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.839 -0.619 . . . . 0.0 112.297 -176.202 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.456 ' NE2' ' O ' ' A' ' 44' ' ' PHE . 0.9 OUTLIER -129.58 43.5 3.12 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 114.463 1.283 . . . . 0.0 114.463 -174.831 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.522 ' HG3' ' O ' ' A' ' 45' ' ' LEU . 54.1 mtmt -62.96 -40.12 96.74 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 119.271 -0.971 . . . . 0.0 109.496 172.684 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -65.79 -18.33 65.26 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.968 -1.014 . . . . 0.0 111.189 -177.081 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.431 ' C ' ' H ' ' A' ' 53' ' ' ALA . 75.6 t -67.71 -19.12 24.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 120.766 0.317 . . . . 0.0 110.44 -178.725 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 25.4 t70 66.6 -43.66 0.42 Allowed 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.565 -179.532 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.692 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -52.64 -28.16 20.25 Favored 'General case' 0 CA--C 1.514 -0.422 0 N-CA-C 110.124 -0.325 . . . . 0.0 110.124 179.659 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.538 ' O ' ' HG2' ' A' ' 58' ' ' MET . 7.4 p -58.46 -46.93 89.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.865 177.757 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.499 ' O ' ' N ' ' A' ' 59' ' ' LYS . 30.8 t70 -61.36 -41.38 96.97 Favored 'General case' 0 CA--C 1.505 -0.785 0 CA-C-O 121.708 0.766 . . . . 0.0 109.099 174.793 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 30.7 mmtp -65.06 -40.91 95.4 Favored 'General case' 0 C--N 1.308 -1.209 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.358 -175.478 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.692 HG23 ' O ' ' A' ' 53' ' ' ALA . 55.7 t -61.24 -42.55 93.9 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 173.274 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.538 ' HG2' ' O ' ' A' ' 54' ' ' VAL . 74.2 mmm -60.39 -39.48 87.44 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 174.166 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 55' ' ' ASP . 47.0 tptt -63.34 -40.77 98.19 Favored 'General case' 0 N--CA 1.441 -0.902 0 CA-C-N 115.285 -0.871 . . . . 0.0 109.728 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -57.13 -40.76 77.79 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 177.458 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.72 ' HG ' HD22 ' A' ' 77' ' ' LEU . 1.3 mm? -64.72 -38.7 91.9 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.666 171.039 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.432 ' HB3' ' HD2' ' A' ' 59' ' ' LYS . 19.1 t70 -63.73 -37.4 87.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.486 178.441 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 59' ' ' LYS . 79.9 mm-40 -58.95 -35.94 73.97 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 106.459 -1.682 . . . . 0.0 106.459 175.187 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.566 ' OD1' ' NZ ' ' A' ' 30' ' ' LYS . 14.8 t-20 -84.03 9.9 11.3 Favored 'General case' 0 C--N 1.307 -1.246 0 CA-C-N 113.789 -1.551 . . . . 0.0 109.453 176.759 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.443 ' HA2' ' HG3' ' A' ' 30' ' ' LYS . . . -76.46 -3.36 77.51 Favored Glycine 0 C--O 1.239 0.418 0 N-CA-C 110.658 -0.977 . . . . 0.0 110.658 -178.759 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -61.37 -39.23 89.88 Favored 'General case' 0 CA--C 1.512 -0.485 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -134.57 -136.33 3.63 Favored Glycine 0 C--O 1.241 0.532 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 179.407 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -108.04 168.76 9.06 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.479 0.657 . . . . 0.0 112.417 -177.407 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.926 HG23 ' HB2' ' A' ' 73' ' ' GLU . 0.2 OUTLIER -120.32 135.69 59.77 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.976 0 CA-C-N 114.887 -1.051 . . . . 0.0 109.449 179.206 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.488 ' HB3' ' NZ ' ' A' ' 27' ' ' LYS . 3.3 p30 -105.48 -162.5 0.88 Allowed 'General case' 0 CA--C 1.502 -0.888 0 C-N-CA 120.036 -0.665 . . . . 0.0 110.132 175.771 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.58 ' CD1' HD13 ' A' ' 12' ' ' ILE . 46.9 t80 -59.77 -43.72 94.22 Favored 'General case' 0 C--N 1.297 -1.714 0 C-N-CA 120.175 -0.61 . . . . 0.0 109.457 -175.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.436 ' HG3' HG11 ' B' ' 83' ' ' VAL . 79.2 mt-30 -60.9 -47.85 84.51 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.143 179.08 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.926 ' HB2' HG23 ' A' ' 69' ' ' VAL . 52.1 mp0 -67.64 -36.57 81.02 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 119.003 -1.079 . . . . 0.0 110.054 176.236 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -62.54 -49.2 76.27 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 112.554 0.576 . . . . 0.0 112.554 178.548 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.796 HG21 ' CB ' ' B' ' 79' ' ' ALA . 24.3 m -64.81 -38.76 83.55 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 -176.162 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.438 HG23 ' CG ' ' B' ' 72' ' ' GLN . 10.0 p -63.22 -36.84 77.65 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.697 0 C-N-CA 120.032 -0.667 . . . . 0.0 110.665 -178.363 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.769 HD22 HD11 ' A' ' 33' ' ' LEU . 52.0 tp -61.45 -49.52 76.48 Favored 'General case' 0 CA--C 1.513 -0.453 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.892 179.704 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.659 HG12 HD23 ' A' ' 37' ' ' LEU . 11.2 m -68.67 -42.73 83.36 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.864 0 C-N-CA 119.944 -0.702 . . . . 0.0 110.335 178.261 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.773 ' CB ' HG21 ' B' ' 75' ' ' VAL . . . -61.55 -48.23 81.95 Favored 'General case' 0 CA--C 1.507 -0.71 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.567 179.625 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.06 -47.68 77.5 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-O 121.221 0.534 . . . . 0.0 109.6 -178.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.409 HD22 HG23 ' A' ' 54' ' ' VAL . 97.8 mt -63.28 -42.58 99.11 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.808 176.558 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.513 HG21 ' HB3' ' B' ' 8' ' ' MET . 19.9 m -63.34 -51.56 65.45 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 120.601 -0.44 . . . . 0.0 110.546 -179.207 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.679 HG12 ' O ' ' A' ' 79' ' ' ALA . 6.7 p -63.81 -43.66 97.95 Favored 'Isoleucine or valine' 0 C--O 1.237 0.447 0 C-N-CA 120.116 -0.634 . . . . 0.0 111.202 178.648 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.02 -53.75 54.55 Favored 'General case' 0 N--CA 1.446 -0.639 0 C-N-CA 120.187 -0.605 . . . . 0.0 110.632 178.683 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.462 ' O ' ' HB3' ' A' ' 88' ' ' PHE . 18.4 ttp -70.0 -40.63 75.18 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 119.669 -0.812 . . . . 0.0 111.14 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.633 ' CG ' HG21 ' B' ' 12' ' ' ILE . 5.4 t-20 -62.7 -40.84 98.41 Favored 'General case' 0 CA--C 1.512 -0.512 0 C-N-CA 120.222 -0.591 . . . . 0.0 110.781 -177.631 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -59.83 -33.69 72.1 Favored 'General case' 0 CA--C 1.511 -0.528 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.75 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.462 ' HB3' ' O ' ' A' ' 85' ' ' MET . 57.9 t80 -53.52 -45.2 69.68 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.49 177.747 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.45 ' O ' ' HB2' ' A' ' 93' ' ' SER . 47.7 m-85 -59.42 -46.65 88.13 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.009 179.532 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.402 ' NE1' ' OD1' ' A' ' 86' ' ' ASN . 37.8 m95 -74.13 -38.79 63.68 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-O 120.623 0.249 . . . . 0.0 111.478 -178.713 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.471 ' HG2' ' OH ' ' B' ' 26' ' ' TYR . 98.5 mt-10 -68.73 -47.14 67.09 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.977 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -128.75 122.2 30.09 Favored 'General case' 0 CA--C 1.506 -0.734 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.543 -176.12 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.45 ' HB2' ' O ' ' A' ' 89' ' ' PHE . 0.9 OUTLIER . . . . . 0 C--N 1.31 -1.134 0 CA-C-O 118.332 -0.842 . . . . 0.0 110.304 -176.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 110.137 -1.185 . . . . 0.0 110.137 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 58.9 m -76.32 158.17 31.76 Favored 'General case' 0 C--N 1.315 -0.928 0 N-CA-C 111.81 0.3 . . . . 0.0 111.81 -175.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.497 ' H ' ' CD ' ' B' ' 3' ' ' GLU . 45.7 mp0 -54.29 -27.23 34.01 Favored 'General case' 0 CA--C 1.51 -0.573 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 175.279 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.948 HD22 HD23 ' A' ' 11' ' ' LEU . 95.4 mt -61.13 -40.49 94.02 Favored 'General case' 0 N--CA 1.434 -1.244 0 CA-C-N 114.278 -1.328 . . . . 0.0 109.083 -177.781 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -63.38 -43.45 97.58 Favored 'General case' 0 N--CA 1.443 -0.795 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 177.658 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 7.6 m -62.5 -46.54 87.96 Favored 'General case' 0 C--O 1.24 0.597 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 175.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.81 -48.73 74.89 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.115 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' MET . . . . . 0.794 ' SD ' HD11 ' A' ' 11' ' ' LEU . 93.7 mmm -64.32 -42.45 96.31 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.918 179.389 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -65.93 -35.08 79.64 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 119.917 -0.713 . . . . 0.0 110.871 176.463 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 18.8 m -57.7 -44.45 85.87 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 178.507 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.748 HD11 ' SD ' ' A' ' 8' ' ' MET . 76.8 mt -62.34 -41.84 98.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.431 174.804 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.701 HD13 ' CD1' ' B' ' 71' ' ' PHE . 16.1 mm -62.8 -44.27 99.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 56.6 m-80 -61.6 -41.89 98.09 Favored 'General case' 0 CA--C 1.51 -0.581 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 -178.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.729 HG21 HD21 ' A' ' 4' ' ' LEU . 54.1 t -64.75 -44.56 96.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.883 174.058 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.455 ' CE1' ' HB2' ' B' ' 28' ' ' LEU . 77.1 t80 -58.32 -48.29 80.99 Favored 'General case' 0 N--CA 1.446 -0.648 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 179.249 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.69 ' CD2' HG22 ' B' ' 12' ' ' ILE . 46.5 m-70 -60.93 -41.84 97.02 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.601 176.561 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.501 ' O ' ' NZ ' ' B' ' 21' ' ' LYS . . . -53.93 -45.49 71.22 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.025 -178.577 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.414 ' CD2' HD13 ' B' ' 36' ' ' LEU . 90.5 m-70 -75.46 -36.03 60.77 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.644 176.567 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 69.8 m -57.37 -41.6 80.5 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 120.39 -0.524 . . . . 0.0 109.631 179.052 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.11 -21.94 54.3 Favored Glycine 0 CA--C 1.527 0.802 0 N-CA-C 111.139 -0.785 . . . . 0.0 111.139 177.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.501 ' NZ ' ' O ' ' B' ' 17' ' ' ALA . 47.9 mmtm -79.66 -75.81 0.24 Allowed 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 -176.756 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 53.9 mm-40 -116.58 -3.76 11.78 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 -176.213 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -90.34 165.03 31.08 Favored Glycine 0 CA--C 1.526 0.757 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.67 -174.116 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.498 ' H ' ' HB2' ' B' ' 27' ' ' LYS . 24.1 t0 -86.86 122.27 30.5 Favored 'General case' 0 CA--C 1.519 -0.233 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 175.543 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.501 ' HD2' ' CE1' ' B' ' 26' ' ' TYR . 7.2 pttm 35.26 -94.27 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.76 0 O-C-N 123.21 0.319 . . . . 0.0 110.544 -175.406 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.501 ' CE1' ' HD2' ' B' ' 25' ' ' LYS . 2.4 p90 -110.03 92.66 4.13 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 171.618 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.498 ' HB2' ' H ' ' B' ' 24' ' ' ASP . 9.6 mmmm -157.97 159.19 36.21 Favored 'General case' 0 C--N 1.309 -1.163 0 N-CA-C 108.32 -0.992 . . . . 0.0 108.32 176.517 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.455 ' HB2' ' CE1' ' B' ' 15' ' ' PHE . 43.0 tp -124.49 127.38 47.38 Favored 'General case' 0 C--N 1.307 -1.243 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.005 178.353 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.89 158.4 20.6 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 177.622 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.471 ' NZ ' ' O ' ' B' ' 61' ' ' LEU . 12.2 mmmm -71.31 -8.95 57.09 Favored 'General case' 0 CA--C 1.515 -0.385 0 C-N-CA 119.582 -0.847 . . . . 0.0 109.56 -179.339 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.479 ' O ' ' HG2' ' B' ' 35' ' ' GLU . 58.9 mttt -68.66 -52.47 30.79 Favored 'General case' 0 CA--C 1.498 -1.048 0 N-CA-C 107.489 -1.3 . . . . 0.0 107.489 177.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -73.58 -41.66 62.6 Favored 'General case' 0 N--CA 1.434 -1.225 0 CA-C-N 112.864 -1.971 . . . . 0.0 111.063 -177.34 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.708 HD11 ' CD2' ' B' ' 77' ' ' LEU . 2.7 tm? -59.51 -44.52 93.12 Favored 'General case' 0 CA--C 1.513 -0.478 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.848 -172.737 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.516 ' HG3' ' N ' ' B' ' 35' ' ' GLU . 16.6 pttp -62.45 -45.2 94.13 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 119.143 -1.023 . . . . 0.0 110.199 177.577 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.516 ' N ' ' HG3' ' B' ' 34' ' ' LYS . 66.6 mm-40 -63.81 -47.64 80.02 Favored 'General case' 0 CA--C 1.507 -0.709 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.677 HD21 ' CE1' ' B' ' 74' ' ' TYR . 18.2 tp -59.73 -49.78 76.4 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-N 114.414 -1.266 . . . . 0.0 111.731 178.303 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.664 HD22 ' O ' ' B' ' 37' ' ' LEU . 1.4 tm? -64.34 -47.02 80.97 Favored 'General case' 0 C--N 1.309 -1.186 0 C-N-CA 120.577 -0.449 . . . . 0.0 111.131 -177.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.406 ' HG2' ' O ' ' B' ' 34' ' ' LYS . 12.5 pt20 -69.15 -42.9 75.35 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 119.475 -0.89 . . . . 0.0 110.954 177.06 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.465 ' CB ' ' O ' ' B' ' 35' ' ' GLU . 81.2 m -63.93 -50.89 66.9 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.175 -178.086 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.463 ' OE1' HD23 ' A' ' 4' ' ' LEU . 75.5 mm-40 -85.17 -25.17 27.57 Favored 'General case' 0 CA--C 1.516 -0.354 0 N-CA-C 113.523 0.934 . . . . 0.0 113.523 -172.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.477 ' HB2' HD22 ' B' ' 37' ' ' LEU . 7.6 mp -109.89 30.48 6.66 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 120.624 0.25 . . . . 0.0 110.499 176.156 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 32.5 m -51.44 -39.35 57.19 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.73 0.3 . . . . 0.0 110.398 -177.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -63.98 -49.53 66.83 Favored Glycine 0 N--CA 1.446 -0.674 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 178.19 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.609 ' HA ' ' SD ' ' B' ' 85' ' ' MET . 45.9 m-85 -64.77 -44.91 88.49 Favored 'General case' 0 CA--C 1.495 -1.156 0 CA-C-O 121.366 0.603 . . . . 0.0 110.294 178.423 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.449 ' O ' HD12 ' B' ' 45' ' ' LEU . 11.2 tp -61.32 -47.51 85.58 Favored 'General case' 0 C--N 1.306 -1.286 0 CA-C-N 114.969 -1.014 . . . . 0.0 111.498 178.414 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -71.31 -40.35 70.87 Favored 'General case' 0 C--N 1.305 -1.335 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.314 -178.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 47' ' ' ALA . . . . . 0.891 ' HB3' ' SD ' ' B' ' 85' ' ' MET . . . -61.22 -41.79 97.47 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.669 -0.412 . . . . 0.0 110.87 -179.069 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.412 ' NE2' ' HB ' ' B' ' 54' ' ' VAL . 0.0 OUTLIER -120.31 42.34 2.99 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 121.088 0.471 . . . . 0.0 111.373 178.908 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.412 ' NZ ' ' OD1' ' B' ' 50' ' ' ASP . 0.0 OUTLIER -61.71 -40.91 96.71 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.755 177.158 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 50' ' ' ASP . . . . . 0.412 ' OD1' ' NZ ' ' B' ' 49' ' ' LYS . 71.2 m-20 -81.25 -2.91 50.67 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 114.83 -1.077 . . . . 0.0 111.014 -172.352 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 57.8 t -86.04 131.05 35.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 -179.049 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -57.29 -40.22 77.34 Favored 'General case' 0 CA--C 1.508 -0.666 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.055 -177.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.28 -25.45 9.47 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.139 -178.313 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.429 ' CG1' ' N ' ' B' ' 55' ' ' ASP . 0.8 OUTLIER -60.15 -47.44 92.01 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 C-N-CA 120.25 -0.58 . . . . 0.0 110.076 179.348 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.563 ' O ' ' N ' ' B' ' 59' ' ' LYS . 32.8 t70 -63.61 -41.4 98.32 Favored 'General case' 0 CA--C 1.499 -0.987 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 174.81 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 56' ' ' LYS . . . . . 0.436 ' O ' ' HG3' ' B' ' 60' ' ' GLU . 18.6 mmtp -64.38 -44.25 91.92 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.82 -172.737 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 1.067 HG12 HD12 ' B' ' 77' ' ' LEU . 90.0 t -63.56 -42.79 97.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 174.222 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 58' ' ' MET . . . . . 0.495 ' SD ' HD12 ' B' ' 37' ' ' LEU . 76.4 mmm -61.8 -40.55 95.61 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.219 -0.901 . . . . 0.0 108.835 177.176 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 59' ' ' LYS . . . . . 0.563 ' N ' ' O ' ' B' ' 55' ' ' ASP . 0.0 OUTLIER -63.07 -42.46 99.67 Favored 'General case' 0 N--CA 1.436 -1.175 0 CA-C-N 114.886 -1.052 . . . . 0.0 110.19 -177.867 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 60' ' ' GLU . . . . . 0.436 ' HG3' ' O ' ' B' ' 56' ' ' LYS . 90.0 mt-10 -56.9 -44.17 82.07 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.576 ' HG ' HD22 ' B' ' 77' ' ' LEU . 3.1 mm? -64.05 -38.44 91.09 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.53 170.703 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.434 ' OD2' ' NZ ' ' B' ' 59' ' ' LYS . 34.8 t70 -62.32 -40.83 97.61 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.336 177.224 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 63' ' ' GLU . . . . . 0.532 ' HG2' ' O ' ' B' ' 59' ' ' LYS . 56.1 mm-40 -60.87 -40.73 94.1 Favored 'General case' 0 CA--C 1.513 -0.471 0 N-CA-C 106.632 -1.618 . . . . 0.0 106.632 176.113 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 64' ' ' ASN . . . . . 0.584 HD22 ' CD ' ' B' ' 73' ' ' GLU . 21.3 t-20 -80.87 35.01 0.36 Allowed 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 114.453 -1.248 . . . . 0.0 109.859 174.502 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.415 ' H ' ' C ' ' B' ' 63' ' ' GLU . . . -96.29 18.32 57.68 Favored Glycine 0 N--CA 1.461 0.327 0 N-CA-C 109.392 -1.483 . . . . 0.0 109.392 178.055 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -61.53 -38.93 89.21 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 123.198 0.599 . . . . 0.0 110.862 -177.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -157.31 -82.49 0.04 OUTLIER Glycine 0 C--N 1.316 -0.533 0 N-CA-C 110.733 -0.947 . . . . 0.0 110.733 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -128.44 167.87 16.42 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 120.972 0.415 . . . . 0.0 110.703 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.847 HG23 ' HB3' ' B' ' 73' ' ' GLU . 0.2 OUTLIER -117.86 132.73 66.82 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.291 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 176.2 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -92.05 177.3 6.21 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.48 -175.238 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.701 ' CD1' HD13 ' B' ' 12' ' ' ILE . 82.4 t80 -60.87 -45.23 95.39 Favored 'General case' 0 C--N 1.32 -0.717 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.613 -178.811 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.438 ' CG ' HG23 ' A' ' 76' ' ' VAL . 38.7 tt0 -60.74 -40.64 93.16 Favored 'General case' 0 N--CA 1.436 -1.148 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 -178.59 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.847 ' HB3' HG23 ' B' ' 69' ' ' VAL . 24.6 tp10 -66.41 -39.73 89.17 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.388 -0.823 . . . . 0.0 109.626 176.004 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 74' ' ' TYR . . . . . 0.677 ' CE1' HD21 ' B' ' 36' ' ' LEU . 22.9 t80 -60.45 -47.82 84.46 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.883 179.319 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.773 HG21 ' CB ' ' A' ' 79' ' ' ALA . 28.9 m -63.39 -41.18 91.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 C-N-CA 119.97 -0.692 . . . . 0.0 112.103 -177.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.467 HG12 ' O ' ' B' ' 73' ' ' GLU . 8.7 p -63.98 -38.83 83.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 C-N-CA 120.567 -0.453 . . . . 0.0 111.378 -176.507 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 1.067 HD12 HG12 ' B' ' 57' ' ' VAL . 38.6 tp -60.45 -49.95 75.53 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-O 121.247 0.546 . . . . 0.0 109.572 178.866 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.522 HG12 HD23 ' B' ' 37' ' ' LEU . 16.7 m -71.28 -41.62 74.48 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.917 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.05 178.159 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.796 ' CB ' HG21 ' A' ' 75' ' ' VAL . . . -62.08 -43.94 97.75 Favored 'General case' 0 CA--C 1.505 -0.764 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.036 -179.379 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.02 -47.59 82.62 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 178.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.614 ' HG ' HG11 ' B' ' 57' ' ' VAL . 82.4 mt -63.1 -42.55 99.61 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.557 176.172 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.487 HG23 ' CZ ' ' B' ' 44' ' ' PHE . 14.9 m -62.15 -52.1 65.2 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 120.429 -0.508 . . . . 0.0 110.254 -179.078 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.76 HG12 ' O ' ' B' ' 79' ' ' ALA . 7.5 p -66.02 -43.53 92.5 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 C-N-CA 120.633 -0.427 . . . . 0.0 111.406 177.81 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.27 -54.72 43.58 Favored 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.323 -179.476 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 85' ' ' MET . . . . . 0.891 ' SD ' ' HB3' ' B' ' 47' ' ' ALA . 29.4 ttp -69.14 -45.27 70.52 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 -179.247 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -64.19 -46.75 82.56 Favored 'General case' 0 CA--C 1.513 -0.477 0 N-CA-C 112.146 0.425 . . . . 0.0 112.146 -174.7 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -62.01 -33.76 74.94 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.501 -0.48 . . . . 0.0 111.48 -176.043 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -52.8 -43.4 65.87 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 178.333 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 -61.29 -41.54 97.15 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.604 -179.438 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 74.4 m95 -69.78 -45.33 68.22 Favored 'General case' 0 CA--C 1.51 -0.59 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 176.138 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 91' ' ' GLU . . . . . 0.406 ' HG2' ' CZ ' ' A' ' 26' ' ' TYR . 71.8 mt-10 -65.87 -44.78 84.36 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.483 -178.519 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 58.2 t-20 -97.42 100.62 12.06 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 176.312 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 C--O 1.206 -1.208 0 CA-C-O 118.503 -0.76 . . . . 0.0 110.052 -174.587 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.462 0.425 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m -71.11 166.65 20.97 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 179.483 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -62.26 -38.23 88.49 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 174.706 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.855 HD21 HG21 ' B' ' 14' ' ' VAL . 4.1 mm? -61.14 -44.14 97.78 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 176.845 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -66.01 -42.31 89.84 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 115.129 -0.942 . . . . 0.0 109.267 177.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.3 m -61.15 -46.14 91.75 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 109.06 -0.718 . . . . 0.0 109.06 176.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.54 -48.84 78.21 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.073 178.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.569 ' SD ' HG23 ' B' ' 78' ' ' VAL . 1.1 mtp -61.78 -44.15 97.44 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.106 -0.638 . . . . 0.0 109.681 179.452 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -62.8 -37.2 85.8 Favored 'General case' 0 CA--C 1.511 -0.55 0 C-N-CA 120.563 -0.455 . . . . 0.0 111.498 176.039 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.9 m -59.92 -46.64 88.73 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 176.721 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.852 HD23 HD22 ' B' ' 4' ' ' LEU . 85.5 mt -64.17 -41.76 96.99 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.711 175.543 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.456 HG12 ' O ' ' A' ' 8' ' ' MET . 21.0 mm -62.21 -44.41 99.06 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 -179.282 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -62.47 -44.62 95.96 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.294 -178.2 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.727 HG11 HD11 ' B' ' 4' ' ' LEU . 77.2 t -64.18 -45.03 97.52 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.9 175.616 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -59.15 -46.37 88.55 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.731 178.421 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.537 ' NE2' ' OD1' ' B' ' 86' ' ' ASN . 2.1 m-70 -65.06 -41.15 95.37 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.902 179.569 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.432 ' O ' ' HG3' ' A' ' 21' ' ' LYS . . . -52.91 -49.69 65.45 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.437 ' CD2' HD13 ' A' ' 36' ' ' LEU . 93.7 m-70 -70.06 -37.58 75.55 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.701 176.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.499 ' HB3' ' HA ' ' A' ' 26' ' ' TYR . 37.5 m -54.93 -44.5 74.31 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 119.932 -0.707 . . . . 0.0 109.223 178.791 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.72 -35.43 89.74 Favored Glycine 0 C--O 1.222 -0.596 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 179.216 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.432 ' HG3' ' O ' ' A' ' 17' ' ' ALA . 62.2 mttm -63.97 -41.07 97.65 Favored 'General case' 0 C--O 1.242 0.683 0 O-C-N 122.843 -0.21 . . . . 0.0 111.431 -178.046 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.526 ' OE1' HD12 ' A' ' 28' ' ' LEU . 1.8 mt-10 -98.06 -25.27 15.0 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -176.706 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 121.03 -160.03 15.44 Favored Glycine 0 N--CA 1.463 0.46 0 C-N-CA 121.075 -0.583 . . . . 0.0 111.752 177.584 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.5 t70 64.88 162.92 0.14 Allowed 'General case' 0 C--O 1.24 0.588 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 -175.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.438 ' C ' ' CD2' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -62.65 -49.48 74.99 Favored 'General case' 0 CA--C 1.506 -0.72 0 C-N-CA 119.613 -0.835 . . . . 0.0 109.369 179.302 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.5 ' CE1' ' HA ' ' B' ' 87' ' ' ASN . 0.2 OUTLIER -167.55 94.08 0.42 Allowed 'General case' 0 C--N 1.312 -1.026 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.121 172.018 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.7 mmmm -148.42 161.03 42.41 Favored 'General case' 0 C--N 1.31 -1.123 0 N-CA-C 107.148 -1.427 . . . . 0.0 107.148 173.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.526 HD12 ' OE1' ' A' ' 22' ' ' GLU . 49.7 tp -122.59 131.34 53.78 Favored 'General case' 0 C--N 1.301 -1.52 0 CA-C-O 121.13 0.49 . . . . 0.0 109.921 -179.204 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.433 ' HB2' ' HG3' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -97.19 179.62 4.84 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.007 178.458 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.578 ' NZ ' ' O ' ' A' ' 62' ' ' ASP . 4.7 mmmm -81.87 15.35 2.27 Favored 'General case' 0 C--N 1.314 -0.958 0 C-N-CA 120.545 -0.462 . . . . 0.0 111.578 -175.721 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.433 ' HG3' ' HB2' ' A' ' 29' ' ' SER . 6.5 mttm -91.63 -67.34 0.86 Allowed 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.124 0.488 . . . . 0.0 109.964 -179.498 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.419 ' O ' ' HB3' ' A' ' 36' ' ' LEU . 70.6 mm-40 -66.51 -34.82 78.78 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.412 178.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.565 ' C ' HD13 ' A' ' 33' ' ' LEU . 2.2 tm? -54.76 -46.19 74.33 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -168.443 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.654 ' HZ2' ' HB2' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -61.01 -47.93 84.18 Favored 'General case' 0 CA--C 1.501 -0.921 0 C-N-CA 119.313 -0.955 . . . . 0.0 108.788 -179.857 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.444 ' O ' ' OG1' ' A' ' 39' ' ' THR . 18.8 mm-40 -67.69 -44.05 78.68 Favored 'General case' 0 N--CA 1.431 -1.402 0 CA-C-N 114.307 -1.315 . . . . 0.0 109.207 -176.177 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.669 HD21 ' CE1' ' A' ' 74' ' ' TYR . 3.6 tp -60.09 -49.38 77.88 Favored 'General case' 0 C--N 1.306 -1.321 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.832 176.334 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.688 HD23 HG12 ' A' ' 78' ' ' VAL . 3.0 tm? -63.94 -47.6 79.87 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 120.043 -0.663 . . . . 0.0 111.471 -177.309 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.663 ' HA ' HD22 ' A' ' 45' ' ' LEU . 4.2 pt20 -65.96 -41.27 91.42 Favored 'General case' 0 CA--C 1.511 -0.522 0 C-N-CA 119.338 -0.945 . . . . 0.0 110.593 178.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.444 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 95.5 m -63.51 -53.22 55.42 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 115.653 -0.703 . . . . 0.0 112.146 -177.2 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.694 ' HB3' HD12 ' B' ' 4' ' ' LEU . 75.7 mm-40 -73.81 -40.25 63.5 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 -174.839 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.477 HD22 HD21 ' A' ' 37' ' ' LEU . 10.1 mp -97.58 41.03 1.13 Allowed 'General case' 0 CA--C 1.508 -0.673 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.776 -178.596 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 73.0 m -52.54 -41.79 63.82 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.384 -178.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.51 -46.07 57.03 Favored Glycine 0 CA--C 1.522 0.495 0 C-N-CA 121.287 -0.482 . . . . 0.0 112.111 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.715 ' HA ' ' SD ' ' A' ' 85' ' ' MET . 59.3 m-85 -69.18 -39.77 78.5 Favored 'General case' 0 CA--C 1.488 -1.432 0 CA-C-O 121.432 0.634 . . . . 0.0 109.99 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.663 HD22 ' HA ' ' A' ' 38' ' ' GLN . 55.8 tp -61.47 -44.11 97.67 Favored 'General case' 0 N--CA 1.423 -1.808 0 CA-C-N 114.93 -1.032 . . . . 0.0 110.482 -179.19 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -55.69 -51.26 67.91 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.086 -177.18 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.821 ' HB3' ' SD ' ' A' ' 85' ' ' MET . . . -68.89 -40.4 79.23 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.732 179.159 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 60.1 mm-40 -65.97 -29.26 69.62 Favored 'General case' 0 CA--C 1.511 -0.523 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -176.192 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.567 ' HE3' HD11 ' A' ' 45' ' ' LEU . 22.2 mmtp -59.17 -39.85 83.79 Favored 'General case' 0 C--N 1.311 -1.102 0 C-N-CA 120.088 -0.645 . . . . 0.0 110.844 179.228 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -69.92 -8.13 46.19 Favored 'General case' 0 C--N 1.313 -1.006 0 C-N-CA 120.611 -0.436 . . . . 0.0 110.839 177.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.743 ' O ' HG12 ' A' ' 54' ' ' VAL . 62.0 t -105.94 131.54 55.24 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 -177.768 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -61.04 -37.5 82.83 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.104 0.478 . . . . 0.0 110.941 -178.676 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.413 ' H ' HG12 ' A' ' 51' ' ' VAL . . . -51.83 -25.17 7.22 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.496 -174.735 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.743 HG12 ' O ' ' A' ' 51' ' ' VAL . 13.3 p -59.85 -42.22 88.35 Favored 'Isoleucine or valine' 0 C--O 1.24 0.577 0 C-N-CA 120.079 -0.648 . . . . 0.0 109.904 179.697 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -59.17 -49.22 78.7 Favored 'General case' 0 CA--C 1.504 -0.819 0 CA-C-O 121.619 0.723 . . . . 0.0 109.888 177.369 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 50.7 mttp -64.11 -42.45 96.86 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-N 114.33 -1.305 . . . . 0.0 112.43 -175.641 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.482 HG12 HD12 ' A' ' 77' ' ' LEU . 71.6 t -66.69 -47.53 82.87 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.805 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 178.482 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 64.5 ttp -61.89 -39.16 90.97 Favored 'General case' 0 N--CA 1.43 -1.438 0 CA-C-N 114.375 -1.284 . . . . 0.0 110.473 178.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -63.03 -49.49 74.41 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.28 -178.661 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -64.74 -43.34 93.67 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.227 -0.589 . . . . 0.0 110.849 179.6 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.423 ' HG ' ' HB2' ' A' ' 77' ' ' LEU . 2.3 mm? -62.82 -39.75 95.26 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.866 174.66 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.578 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . 37.2 t0 -60.86 -45.1 95.86 Favored 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.277 176.594 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -64.2 -43.33 95.38 Favored 'General case' 0 CA--C 1.513 -0.473 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 178.085 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.492 ' C ' ' H ' ' A' ' 66' ' ' ASP . 13.3 t-20 -63.3 -41.86 99.0 Favored 'General case' 0 C--N 1.313 -1.015 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 179.356 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.44 ' HA3' ' HD3' ' A' ' 30' ' ' LYS . . . -71.72 41.29 0.68 Allowed Glycine 0 C--N 1.319 -0.364 0 N-CA-C 110.083 -1.207 . . . . 0.0 110.083 176.668 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.492 ' H ' ' C ' ' A' ' 64' ' ' ASN . 35.1 t70 -62.37 -39.68 93.97 Favored 'General case' 0 CA--C 1.501 -0.915 0 CA-C-O 121.225 0.536 . . . . 0.0 109.558 -179.538 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -116.22 -62.51 0.34 Allowed Glycine 0 C--N 1.31 -0.911 0 N-CA-C 109.307 -1.517 . . . . 0.0 109.307 176.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -135.38 157.6 46.48 Favored 'General case' 0 C--N 1.314 -0.958 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 176.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.659 HG23 ' CB ' ' A' ' 73' ' ' GLU . 1.5 p -113.19 124.38 69.77 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.235 0 N-CA-C 106.625 -1.62 . . . . 0.0 106.625 170.542 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.578 ' CG ' ' H ' ' A' ' 71' ' ' PHE . 14.0 t70 -92.62 179.36 5.52 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.604 -173.251 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.578 ' H ' ' CG ' ' A' ' 70' ' ' ASP . 58.6 t80 -58.42 -43.57 88.72 Favored 'General case' 0 C--N 1.306 -1.283 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 -179.574 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -59.32 -43.79 92.66 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.897 179.174 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.659 ' CB ' HG23 ' A' ' 69' ' ' VAL . 1.7 mp0 -66.31 -38.93 88.84 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.277 0.56 . . . . 0.0 109.944 175.054 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.669 ' CE1' HD21 ' A' ' 36' ' ' LEU . 43.4 t80 -60.82 -48.07 83.46 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.339 -179.025 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.687 HG21 ' CB ' ' B' ' 79' ' ' ALA . 13.5 m -64.57 -41.89 93.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 C-N-CA 119.846 -0.742 . . . . 0.0 112.064 179.766 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.416 HG12 ' HA ' ' A' ' 73' ' ' GLU . 14.7 p -65.41 -40.1 87.3 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 C-N-CA 120.02 -0.672 . . . . 0.0 111.057 -179.4 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.532 HD23 HD21 ' A' ' 33' ' ' LEU . 48.0 tp -60.89 -48.67 80.76 Favored 'General case' 0 CA--C 1.509 -0.62 0 C-N-CA 120.571 -0.452 . . . . 0.0 110.345 179.519 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.688 HG12 HD23 ' A' ' 37' ' ' LEU . 13.6 m -69.4 -42.73 81.18 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.84 0 C-N-CA 120.115 -0.634 . . . . 0.0 110.843 178.304 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.703 ' CB ' HG21 ' B' ' 75' ' ' VAL . . . -62.94 -42.6 99.86 Favored 'General case' 0 CA--C 1.508 -0.647 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.481 179.51 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.438 ' HB3' HG11 ' A' ' 57' ' ' VAL . . . -56.79 -49.23 75.95 Favored 'General case' 0 CA--C 1.51 -0.585 0 CA-C-O 121.371 0.605 . . . . 0.0 109.87 -178.641 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 90.7 mt -63.08 -41.19 99.36 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.153 -0.93 . . . . 0.0 109.334 176.121 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.591 HG23 ' CZ ' ' A' ' 44' ' ' PHE . 23.4 m -61.75 -51.75 67.04 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.219 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.436 HG12 ' O ' ' A' ' 79' ' ' ALA . 7.3 p -63.16 -44.9 99.63 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.409 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.627 -179.623 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.31 -51.71 68.3 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.23 178.49 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.821 ' SD ' ' HB3' ' A' ' 47' ' ' ALA . 26.2 ttp -68.16 -42.72 79.61 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 119.761 -0.776 . . . . 0.0 110.627 179.606 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.498 ' OD1' HG21 ' B' ' 12' ' ' ILE . 0.4 OUTLIER -48.84 -29.64 4.86 Favored 'General case' 0 CA--C 1.501 -0.92 0 C-N-CA 120.545 -0.462 . . . . 0.0 110.874 -176.073 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -46.66 -38.78 10.26 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.619 176.15 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.467 ' HA ' ' O ' ' A' ' 92' ' ' ASN . 63.5 m-85 -63.09 -43.54 98.22 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.247 177.815 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 15.3 m-30 -61.44 -48.44 81.15 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.21 -176.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.451 ' CE2' ' ND1' ' B' ' 16' ' ' HIS . 25.4 m95 -86.27 -46.39 10.38 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -176.304 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.459 ' OE2' ' NZ ' ' B' ' 25' ' ' LYS . 77.0 mt-10 -107.75 -64.65 1.18 Allowed 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 114.263 1.209 . . . . 0.0 114.263 -173.387 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.467 ' O ' ' HA ' ' A' ' 88' ' ' PHE . 63.2 t-20 -84.03 100.05 10.83 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 119.791 -0.763 . . . . 0.0 110.76 -173.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.199 -1.574 0 CA-C-O 118.379 -0.82 . . . . 0.0 110.246 -176.719 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.374 0 N-CA-C 110.421 -1.072 . . . . 0.0 110.421 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 28.0 m -72.71 152.69 41.53 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 -178.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.426 ' H ' ' CD ' ' B' ' 3' ' ' GLU . 56.1 mp0 -53.55 -20.41 4.96 Favored 'General case' 0 CA--C 1.517 -0.316 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 177.512 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.852 HD22 HD23 ' A' ' 11' ' ' LEU . 77.2 mt -61.59 -41.23 97.12 Favored 'General case' 0 N--CA 1.437 -1.124 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 177.615 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -61.8 -43.81 98.11 Favored 'General case' 0 N--CA 1.445 -0.713 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 178.605 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.408 ' O ' ' N ' ' B' ' 10' ' ' THR . 9.9 m -61.44 -43.53 98.7 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.47 174.636 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.94 -47.06 87.32 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.955 177.048 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' MET . . . . . 0.557 ' SD ' HD12 ' B' ' 11' ' ' LEU . 97.3 mmm -63.69 -39.88 95.41 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 178.066 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 9' ' ' GLU . . . . . 0.448 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 50.4 mm-40 -61.14 -40.89 95.55 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 173.12 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.581 ' O ' HG23 ' B' ' 14' ' ' VAL . 7.5 m -60.6 -44.62 96.08 Favored 'General case' 0 N--CA 1.443 -0.795 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 176.489 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.688 HD23 ' CD1' ' A' ' 4' ' ' LEU . 87.4 mt -62.58 -43.49 98.67 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.034 176.54 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.498 HG21 ' OD1' ' A' ' 86' ' ' ASN . 11.0 mm -63.32 -44.75 99.24 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.16 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 178.553 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 13' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 49.0 m-80 -62.47 -43.51 98.63 Favored 'General case' 0 CA--C 1.504 -0.789 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.537 -178.468 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.855 HG21 HD21 ' A' ' 4' ' ' LEU . 85.0 t -64.69 -46.6 91.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 176.111 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.562 ' CE1' ' HB2' ' B' ' 28' ' ' LEU . 75.9 t80 -58.94 -47.68 84.19 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.323 179.272 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.555 ' NE2' ' HB3' ' B' ' 26' ' ' TYR . 9.8 m-70 -60.63 -39.36 87.99 Favored 'General case' 0 CA--C 1.505 -0.762 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.805 177.449 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.521 ' O ' ' HG2' ' B' ' 21' ' ' LYS . . . -54.07 -51.4 64.22 Favored 'General case' 0 C--N 1.318 -0.794 0 C-N-CA 120.121 -0.632 . . . . 0.0 109.618 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.701 ' CD2' HD22 ' B' ' 36' ' ' LEU . 98.5 m-70 -66.95 -39.96 87.41 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.08 177.875 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 47.1 m -56.6 -41.57 77.25 Favored 'General case' 0 CA--C 1.517 -0.29 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 173.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.88 -39.93 98.63 Favored Glycine 0 N--CA 1.449 -0.494 0 N-CA-C 110.552 -1.019 . . . . 0.0 110.552 176.606 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.521 ' HG2' ' O ' ' B' ' 17' ' ' ALA . 75.6 mmtt -63.2 -47.42 82.63 Favored 'General case' 0 CA--C 1.513 -0.463 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 178.84 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.575 ' CD ' ' H ' ' B' ' 29' ' ' SER . 99.1 mt-10 -71.05 -41.29 70.98 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.182 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 133.01 -25.26 3.71 Favored Glycine 0 CA--C 1.535 1.319 0 C-N-CA 121.571 -0.347 . . . . 0.0 112.935 175.319 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -68.01 151.61 46.81 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 117.312 0.556 . . . . 0.0 111.037 -177.046 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.585 ' HG2' ' N ' ' B' ' 26' ' ' TYR . 0.1 OUTLIER -59.36 -42.31 91.31 Favored 'General case' 0 C--O 1.24 0.598 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 176.764 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.585 ' N ' ' HG2' ' B' ' 25' ' ' LYS . 2.3 p90 -166.04 94.61 0.57 Allowed 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.337 168.401 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.477 ' NZ ' ' OE1' ' B' ' 68' ' ' GLU . 2.6 mmmm -154.7 157.29 37.86 Favored 'General case' 0 C--N 1.312 -1.057 0 N-CA-C 106.534 -1.654 . . . . 0.0 106.534 171.39 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.562 ' HB2' ' CE1' ' B' ' 15' ' ' PHE . 43.0 tp -125.31 127.66 47.01 Favored 'General case' 0 C--N 1.3 -1.553 0 C-N-CA 119.931 -0.708 . . . . 0.0 111.033 179.016 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.575 ' H ' ' CD ' ' B' ' 22' ' ' GLU . 1.5 m -96.44 162.8 13.32 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 176.704 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.622 ' NZ ' ' O ' ' B' ' 61' ' ' LEU . 2.7 mmmm -70.4 -6.66 37.18 Favored 'General case' 0 C--N 1.312 -1.054 0 C-N-CA 119.9 -0.72 . . . . 0.0 112.01 -175.282 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.558 ' HD2' ' HG2' ' B' ' 22' ' ' GLU . 0.2 OUTLIER -70.56 -53.21 16.96 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.056 -0.657 . . . . 0.0 110.79 177.781 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' B' ' 36' ' ' LEU . 75.1 mm-40 -73.83 -40.7 63.13 Favored 'General case' 0 C--O 1.219 -0.518 0 N-CA-C 112.089 0.404 . . . . 0.0 112.089 175.235 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.735 HD11 ' CD2' ' B' ' 77' ' ' LEU . 2.3 tm? -58.54 -48.87 79.45 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 -167.592 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.414 ' N ' HD13 ' B' ' 33' ' ' LEU . 19.9 pttp -65.27 -38.08 89.18 Favored 'General case' 0 C--N 1.314 -0.968 0 C-N-CA 119.132 -1.027 . . . . 0.0 110.625 179.763 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.446 ' HA ' HE21 ' B' ' 38' ' ' GLN . 80.0 mm-40 -65.68 -46.38 79.27 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 174.017 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.737 HD21 ' CE1' ' B' ' 74' ' ' TYR . 3.3 tp -61.44 -48.01 83.12 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.613 -0.722 . . . . 0.0 111.408 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.632 HD22 ' HB2' ' B' ' 41' ' ' LEU . 1.4 tm? -63.42 -46.56 85.79 Favored 'General case' 0 C--N 1.316 -0.854 0 C-N-CA 120.663 -0.415 . . . . 0.0 111.132 -179.289 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.446 HE21 ' HA ' ' B' ' 35' ' ' GLU . 24.5 pt20 -67.16 -42.69 83.91 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 119.866 -0.733 . . . . 0.0 110.811 177.736 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 63.5 m -62.68 -52.17 64.36 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.626 -0.715 . . . . 0.0 112.635 -178.382 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -79.07 -39.49 33.67 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 113.214 0.82 . . . . 0.0 113.214 -176.151 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.632 ' HB2' HD22 ' B' ' 37' ' ' LEU . 6.9 mp -102.92 33.46 3.24 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.657 -176.002 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 51.3 m -51.23 -40.0 57.84 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.274 -178.274 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.02 -49.5 62.22 Favored Glycine 0 C--O 1.243 0.684 0 N-CA-C 110.757 -0.937 . . . . 0.0 110.757 178.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.611 ' HA ' ' SD ' ' B' ' 85' ' ' MET . 63.7 m-85 -64.2 -43.39 95.21 Favored 'General case' 0 CA--C 1.5 -0.944 0 CA-C-O 121.468 0.652 . . . . 0.0 109.699 177.848 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.504 ' O ' HD12 ' B' ' 45' ' ' LEU . 3.1 tp -60.85 -47.73 85.01 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.715 178.419 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.467 ' OD1' ' NZ ' ' B' ' 49' ' ' LYS . 29.8 t70 -61.84 -41.91 98.39 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 120.699 -0.4 . . . . 0.0 111.396 178.779 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.25 -35.52 81.1 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.424 177.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.6 HE21 ' CA ' ' B' ' 85' ' ' MET . 80.9 mm-40 -89.42 -1.89 58.21 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 114.3 1.222 . . . . 0.0 114.3 -173.252 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.502 ' HG3' ' O ' ' B' ' 45' ' ' LEU . 31.0 mtmt -60.4 -43.08 97.02 Favored 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 113.49 0.922 . . . . 0.0 113.49 -171.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -86.48 -4.58 59.2 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 120.22 -0.592 . . . . 0.0 111.453 -178.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 51' ' ' VAL . . . . . 0.428 ' O ' HG12 ' B' ' 54' ' ' VAL . 60.7 t -82.76 133.55 28.85 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.011 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.45 -178.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -57.62 -40.75 79.88 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.106 -178.504 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.532 ' O ' HG23 ' B' ' 57' ' ' VAL . . . -53.95 -31.04 49.23 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.581 -177.241 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.428 HG12 ' O ' ' B' ' 51' ' ' VAL . 1.4 p -59.76 -44.58 94.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 C-N-CA 119.352 -0.939 . . . . 0.0 109.773 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.541 ' O ' ' N ' ' B' ' 59' ' ' LYS . 23.1 t70 -62.45 -48.67 78.62 Favored 'General case' 0 CA--C 1.497 -1.087 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 176.052 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -64.97 -42.33 94.65 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.924 -173.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.532 HG23 ' O ' ' B' ' 53' ' ' ALA . 87.0 t -67.36 -44.61 87.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 177.384 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 58' ' ' MET . . . . . 0.462 ' O ' ' N ' ' B' ' 62' ' ' ASP . 66.5 ttp -61.73 -40.32 94.64 Favored 'General case' 0 N--CA 1.433 -1.276 0 CA-C-N 114.641 -1.163 . . . . 0.0 109.978 175.433 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 59' ' ' LYS . . . . . 0.541 ' N ' ' O ' ' B' ' 55' ' ' ASP . 0.1 OUTLIER -61.1 -45.17 95.79 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.368 179.902 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -57.4 -46.98 82.88 Favored 'General case' 0 C--O 1.243 0.759 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 178.099 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.622 ' O ' ' NZ ' ' B' ' 30' ' ' LYS . 2.2 mm? -63.63 -42.21 98.2 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.028 173.518 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' B' ' 58' ' ' MET . 29.2 t70 -56.55 -48.13 77.97 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-O 121.207 0.527 . . . . 0.0 109.784 -178.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -66.04 -37.27 85.45 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.906 176.027 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 64' ' ' ASN . . . . . 0.487 ' C ' ' H ' ' B' ' 66' ' ' ASP . 0.1 OUTLIER -65.39 -8.48 18.92 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.063 177.588 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.463 ' HA2' ' NZ ' ' B' ' 30' ' ' LYS . . . -60.59 3.63 0.36 Allowed Glycine 0 N--CA 1.472 1.043 0 N-CA-C 111.479 -0.649 . . . . 0.0 111.479 177.801 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.487 ' H ' ' C ' ' B' ' 64' ' ' ASN . 54.8 m-20 -60.94 -40.2 92.36 Favored 'General case' 0 CA--C 1.504 -0.824 0 N-CA-C 108.045 -1.095 . . . . 0.0 108.045 176.787 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -141.26 -139.46 3.68 Favored Glycine 0 C--O 1.244 0.725 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 178.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.477 ' OE1' ' NZ ' ' B' ' 27' ' ' LYS . 92.8 mt-10 -90.43 164.99 14.08 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 121.29 0.567 . . . . 0.0 111.002 -178.774 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.708 HG23 ' HB2' ' B' ' 73' ' ' GLU . 1.4 p -116.53 125.68 73.64 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.266 0 N-CA-C 107.283 -1.377 . . . . 0.0 107.283 173.489 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.59 ' CG ' ' H ' ' B' ' 71' ' ' PHE . 44.3 t0 -99.77 -175.8 3.08 Favored 'General case' 0 C--N 1.307 -1.253 0 C-N-CA 120.498 -0.481 . . . . 0.0 111.163 -173.688 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.59 ' H ' ' CG ' ' B' ' 70' ' ' ASP . 45.4 t80 -58.46 -45.23 89.02 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.152 0.501 . . . . 0.0 110.113 -172.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -59.19 -45.03 92.12 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.634 177.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.708 ' HB2' HG23 ' B' ' 69' ' ' VAL . 1.9 mp0 -68.04 -38.24 82.26 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.246 0.546 . . . . 0.0 110.304 176.856 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 74' ' ' TYR . . . . . 0.737 ' CE1' HD21 ' B' ' 36' ' ' LEU . 29.5 t80 -60.92 -48.31 82.42 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.693 179.416 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.703 HG21 ' CB ' ' A' ' 79' ' ' ALA . 34.0 m -63.2 -41.49 92.98 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 C-N-CA 119.915 -0.714 . . . . 0.0 112.072 -179.024 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.412 HG12 ' O ' ' B' ' 73' ' ' GLU . 10.6 p -64.81 -38.38 82.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 C-N-CA 120.206 -0.598 . . . . 0.0 110.818 -179.167 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.735 ' CD2' HD11 ' B' ' 33' ' ' LEU . 61.2 tp -61.47 -48.2 82.2 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-O 120.866 0.365 . . . . 0.0 110.257 179.445 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.569 HG23 ' SD ' ' A' ' 8' ' ' MET . 27.7 m -70.43 -39.7 76.69 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.636 0 C-N-CA 120.075 -0.65 . . . . 0.0 111.188 177.559 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.687 ' CB ' HG21 ' A' ' 75' ' ' VAL . . . -63.95 -40.82 97.29 Favored 'General case' 0 CA--C 1.508 -0.669 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.45 177.689 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 80' ' ' ALA . . . . . 0.459 ' O ' HG12 ' B' ' 83' ' ' VAL . . . -56.64 -50.39 72.19 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-O 121.259 0.552 . . . . 0.0 109.571 -178.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.525 HD12 HD21 ' B' ' 37' ' ' LEU . 99.6 mt -64.8 -41.4 95.83 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.57 177.182 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.593 HG23 ' CZ ' ' B' ' 44' ' ' PHE . 19.5 m -63.04 -48.64 77.85 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.968 179.111 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.459 HG12 ' O ' ' B' ' 80' ' ' ALA . 7.7 p -62.82 -43.54 98.9 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.107 -179.623 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.19 -51.29 70.61 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.372 178.095 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 85' ' ' MET . . . . . 0.611 ' SD ' ' HA ' ' B' ' 44' ' ' PHE . 27.0 ttt -65.13 -41.68 94.58 Favored 'General case' 0 CA--C 1.508 -0.639 0 C-N-CA 119.945 -0.702 . . . . 0.0 109.379 177.708 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.537 ' OD1' ' NE2' ' A' ' 16' ' ' HIS . 26.8 t-20 -60.82 -40.13 91.62 Favored 'General case' 0 CA--C 1.501 -0.911 0 C-N-CA 120.223 -0.591 . . . . 0.0 109.473 -179.201 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 87' ' ' ASN . . . . . 0.5 ' HA ' ' CE1' ' A' ' 26' ' ' TYR . 37.3 t30 -58.28 -46.11 86.66 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.07 -0.513 . . . . 0.0 109.86 178.282 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.544 ' O ' ' N ' ' B' ' 92' ' ' ASN . 60.9 m-85 -68.93 -33.26 73.45 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.048 176.1 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 89' ' ' PHE . . . . . 0.492 ' HB2' ' HA ' ' B' ' 86' ' ' ASN . 5.5 t80 -50.32 -48.19 55.41 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.003 -173.378 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 90' ' ' TRP . . . . . 0.485 ' CD1' ' O ' ' B' ' 86' ' ' ASN . 17.9 m95 -73.85 -47.25 39.74 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.809 179.085 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -71.28 -54.59 10.35 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -176.155 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 92' ' ' ASN . . . . . 0.544 ' N ' ' O ' ' B' ' 88' ' ' PHE . 45.7 t30 -142.59 104.01 4.32 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.042 -177.074 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 93' ' ' SER . . . . . 0.432 ' HB2' ' HA ' ' B' ' 89' ' ' PHE . 5.1 m . . . . . 0 C--O 1.208 -1.082 0 CA-C-O 118.836 -0.602 . . . . 0.0 109.826 179.045 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.433 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 m -81.07 173.28 12.73 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.53 0.205 . . . . 0.0 110.653 -179.173 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 55.9 mp0 -57.54 -48.84 78.21 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-O 121.103 0.478 . . . . 0.0 110.585 -178.404 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.829 ' CD1' HD23 ' B' ' 11' ' ' LEU . 0.9 OUTLIER -62.48 -43.61 98.39 Favored 'General case' 0 C--N 1.314 -0.946 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 -178.434 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.42 ' HG2' ' HD2' ' B' ' 44' ' ' PHE . 61.4 mt-10 -65.62 -45.49 82.9 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-N 115.04 -0.982 . . . . 0.0 109.265 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 14.6 m -62.49 -44.8 95.5 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.365 175.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.566 ' HB1' ' HB1' ' B' ' 7' ' ' ALA . . . -54.42 -49.82 69.08 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.309 178.719 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.597 ' SD ' HD11 ' B' ' 11' ' ' LEU . 94.3 mmm -63.82 -41.48 97.85 Favored 'General case' 0 CA--C 1.513 -0.446 0 C-N-CA 119.876 -0.73 . . . . 0.0 110.587 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.4 ' HA ' ' HB ' ' A' ' 12' ' ' ILE . 91.0 mt-10 -66.14 -35.1 79.59 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 119.998 -0.681 . . . . 0.0 111.292 176.47 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.45 HG22 ' CD1' ' B' ' 4' ' ' LEU . 10.0 m -56.53 -43.4 79.81 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 107.907 -1.146 . . . . 0.0 107.907 178.431 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.667 HD23 HD12 ' B' ' 4' ' ' LEU . 83.3 mt -62.91 -41.1 99.34 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.636 174.415 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.543 HG22 ' CD2' ' A' ' 16' ' ' HIS . 25.6 mm -62.44 -43.47 98.28 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 179.436 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -60.2 -44.59 95.0 Favored 'General case' 0 CA--C 1.505 -0.755 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 -178.493 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 55.4 t -63.89 -45.9 95.7 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.688 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.067 176.264 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.425 ' CE1' ' HB2' ' A' ' 28' ' ' LEU . 64.0 t80 -59.67 -48.18 82.68 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.507 -178.024 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.58 ' NE2' ' OD1' ' B' ' 86' ' ' ASN . 74.5 m-70 -60.57 -40.95 93.57 Favored 'General case' 0 CA--C 1.508 -0.642 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.301 176.378 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.462 ' O ' ' NZ ' ' A' ' 21' ' ' LYS . . . -53.45 -48.82 68.49 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.833 -176.85 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -76.61 -37.9 55.66 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.698 178.088 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 65.5 m -57.68 -42.99 84.73 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-O 121.164 0.507 . . . . 0.0 110.017 178.239 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.32 -42.19 93.45 Favored Glycine 0 N--CA 1.446 -0.694 0 N-CA-C 110.731 -0.948 . . . . 0.0 110.731 -178.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.462 ' NZ ' ' O ' ' A' ' 17' ' ' ALA . 1.5 mmtp -65.36 -46.73 79.02 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.182 0.515 . . . . 0.0 109.612 -178.457 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.524 ' OE1' ' N ' ' A' ' 29' ' ' SER . 99.1 mt-10 -70.45 -41.53 72.7 Favored 'General case' 0 N--CA 1.441 -0.912 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.314 -176.144 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 160.33 -73.13 0.21 Allowed Glycine 0 CA--C 1.522 0.474 0 C-N-CA 119.999 -1.095 . . . . 0.0 113.141 177.473 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -60.52 157.07 14.93 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -172.296 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.626 ' HG3' ' CE2' ' A' ' 26' ' ' TYR . 0.5 OUTLIER -66.33 -30.83 71.31 Favored 'General case' 0 C--O 1.241 0.623 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 175.482 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.626 ' CE2' ' HG3' ' A' ' 25' ' ' LYS . 0.6 OUTLIER -149.37 91.83 1.87 Allowed 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.468 173.24 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.407 ' HD2' ' HA ' ' A' ' 27' ' ' LYS . 12.6 mmmm -159.71 155.42 25.97 Favored 'General case' 0 CA--C 1.501 -0.906 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 167.114 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.565 HD21 HD23 ' A' ' 33' ' ' LEU . 53.6 tp -129.09 132.48 47.42 Favored 'General case' 0 C--N 1.304 -1.411 0 C-N-CA 120.583 -0.447 . . . . 0.0 109.908 177.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.557 ' HB2' ' HG3' ' A' ' 31' ' ' LYS . 1.1 m -104.34 173.92 6.09 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 -179.382 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.546 ' NZ ' ' O ' ' A' ' 61' ' ' LEU . 11.2 mmmm -76.33 -5.98 49.5 Favored 'General case' 0 C--N 1.315 -0.902 0 C-N-CA 120.459 -0.496 . . . . 0.0 111.467 -175.644 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.557 ' HG3' ' HB2' ' A' ' 29' ' ' SER . 0.0 OUTLIER -67.67 -69.69 0.3 Allowed 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 178.813 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.464 ' O ' ' N ' ' A' ' 36' ' ' LEU . 58.7 mm-40 -69.77 -35.12 74.65 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.266 -0.879 . . . . 0.0 112.19 179.579 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.767 ' O ' HD22 ' A' ' 33' ' ' LEU . 1.2 tm? -56.62 -50.04 73.19 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 113.264 0.839 . . . . 0.0 113.264 -167.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.435 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 7.5 mtmp? -63.59 -41.68 98.33 Favored 'General case' 0 CA--C 1.508 -0.655 0 C-N-CA 118.391 -1.323 . . . . 0.0 110.69 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.413 ' O ' ' OG1' ' A' ' 39' ' ' THR . 92.9 mt-10 -65.37 -44.08 88.72 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.933 -0.765 . . . . 0.0 108.933 176.791 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.492 ' O ' HD12 ' A' ' 36' ' ' LEU . 3.2 tp -60.43 -48.42 81.85 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.334 179.383 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.681 HD23 HG12 ' A' ' 78' ' ' VAL . 3.1 tm? -63.42 -48.21 78.73 Favored 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 119.911 -0.716 . . . . 0.0 111.424 -178.137 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.573 ' HA ' HD22 ' A' ' 45' ' ' LEU . 19.9 pt20 -66.0 -40.12 90.88 Favored 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 120.15 -0.62 . . . . 0.0 110.348 178.583 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.413 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 71.2 m -65.32 -52.86 51.19 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 115.558 -0.746 . . . . 0.0 112.877 -177.672 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.405 ' HG2' HD12 ' A' ' 36' ' ' LEU . 79.5 mm-40 -73.83 -40.67 63.16 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 119.729 -0.788 . . . . 0.0 112.146 -175.723 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.632 HD22 HD21 ' A' ' 37' ' ' LEU . 10.5 mp -88.35 44.78 1.22 Allowed 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.596 -178.24 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.57 -47.33 73.42 Favored 'General case' 0 C--N 1.31 -1.121 0 C-N-CA 120.96 -0.296 . . . . 0.0 111.633 -175.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.426 ' H ' ' CD ' ' B' ' 5' ' ' GLU . . . -70.24 -43.99 61.37 Favored Glycine 0 CA--C 1.522 0.494 0 N-CA-C 111.384 -0.686 . . . . 0.0 111.384 178.478 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.612 ' HA ' ' SD ' ' A' ' 85' ' ' MET . 41.8 m-85 -66.69 -42.44 86.48 Favored 'General case' 0 CA--C 1.499 -1.012 0 CA-C-O 121.068 0.461 . . . . 0.0 110.008 178.172 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.573 HD22 ' HA ' ' A' ' 38' ' ' GLN . 46.5 tp -61.14 -45.75 93.38 Favored 'General case' 0 N--CA 1.431 -1.423 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.023 174.302 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.481 ' O ' ' HE2' ' A' ' 49' ' ' LYS . 34.9 t70 -56.15 -47.24 78.6 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.021 0.439 . . . . 0.0 110.294 -179.764 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.737 ' HB3' ' SD ' ' A' ' 85' ' ' MET . . . -67.03 -36.51 82.26 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.909 175.498 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.458 ' HG2' ' O ' ' A' ' 44' ' ' PHE . 82.0 mm-40 -84.78 1.04 48.54 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 -174.566 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.57 ' HG3' ' O ' ' A' ' 45' ' ' LEU . 41.6 mtmt -58.89 -37.12 75.86 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 120.736 -0.385 . . . . 0.0 111.274 -176.339 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -114.38 36.48 3.74 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.866 0.365 . . . . 0.0 111.407 -179.208 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.52 ' C ' ' H ' ' A' ' 53' ' ' ALA . 57.6 t -112.64 -13.32 11.4 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 N-CA-C 111.841 0.312 . . . . 0.0 111.841 -179.533 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.52 ' OD1' ' NZ ' ' A' ' 56' ' ' LYS . 7.3 t70 62.17 -30.65 0.08 Allowed 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 112.889 0.699 . . . . 0.0 112.889 178.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.547 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -54.49 -33.07 59.13 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.014 0.435 . . . . 0.0 110.669 -178.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.755 ' HA ' HD21 ' A' ' 81' ' ' LEU . 9.7 p -58.81 -44.31 90.11 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.814 179.06 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 59' ' ' LYS . 31.3 t70 -61.16 -45.14 95.84 Favored 'General case' 0 CA--C 1.502 -0.895 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.296 176.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.52 ' NZ ' ' OD1' ' A' ' 52' ' ' ASP . 37.1 mttp -64.17 -45.34 88.83 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 115.001 -1.0 . . . . 0.0 110.792 -178.325 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.932 HG12 HD12 ' A' ' 77' ' ' LEU . 57.3 t -65.09 -44.8 95.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 177.798 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.464 ' O ' ' N ' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -67.1 -22.05 65.83 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.4 175.541 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 55' ' ' ASP . 0.5 OUTLIER -62.73 -43.55 98.5 Favored 'General case' 0 CA--C 1.502 -0.888 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.219 -178.833 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.415 ' O ' ' N ' ' A' ' 64' ' ' ASN . 95.9 mt-10 -58.58 -41.56 86.04 Favored 'General case' 0 N--CA 1.437 -1.112 0 N-CA-C 107.769 -1.197 . . . . 0.0 107.769 176.102 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.797 ' CD1' HD22 ' A' ' 77' ' ' LEU . 39.0 mt -65.24 -37.85 88.53 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.985 175.332 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 58' ' ' MET . 94.0 m-20 -61.75 -43.0 99.7 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 176.276 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -68.62 -48.92 62.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.652 0.739 . . . . 0.0 109.57 177.465 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.584 ' C ' ' H ' ' A' ' 66' ' ' ASP . 14.2 t-20 -68.1 -18.05 64.55 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.845 -1.07 . . . . 0.0 111.36 -178.234 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 61' ' ' LEU . . . -65.23 22.84 0.12 Allowed Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.741 -0.544 . . . . 0.0 111.741 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.584 ' H ' ' C ' ' A' ' 64' ' ' ASN . 37.0 t70 -62.08 -41.66 98.4 Favored 'General case' 0 CA--C 1.506 -0.728 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 175.697 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -126.47 -74.36 0.21 Allowed Glycine 0 N--CA 1.45 -0.417 0 N-CA-C 110.471 -1.051 . . . . 0.0 110.471 178.382 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -148.49 177.49 9.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.83 0.348 . . . . 0.0 111.205 -178.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.412 HG23 ' CB ' ' A' ' 73' ' ' GLU . 2.0 p -126.51 135.89 62.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.426 -0.806 . . . . 0.0 108.958 174.002 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -95.48 -179.8 4.89 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 121.372 0.606 . . . . 0.0 111.978 -175.125 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.549 ' O ' HG22 ' A' ' 75' ' ' VAL . 78.1 t80 -61.74 -45.17 95.08 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.596 178.03 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -61.27 -40.95 95.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.093 -178.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.412 ' CB ' HG23 ' A' ' 69' ' ' VAL . 92.6 mt-10 -68.06 -40.44 82.78 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 121.397 0.618 . . . . 0.0 109.449 174.271 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.476 ' CE1' HD21 ' A' ' 36' ' ' LEU . 29.3 t80 -60.93 -48.82 80.06 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.59 -0.732 . . . . 0.0 112.153 178.796 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.876 HG21 ' CB ' ' B' ' 79' ' ' ALA . 16.7 m -64.12 -42.81 96.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 C-N-CA 120.064 -0.654 . . . . 0.0 112.01 -178.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 14.9 p -65.07 -33.25 62.44 Favored 'Isoleucine or valine' 0 C--O 1.237 0.424 0 C-N-CA 120.092 -0.643 . . . . 0.0 110.324 178.221 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.932 HD12 HG12 ' A' ' 57' ' ' VAL . 49.0 tp -60.15 -49.24 78.44 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.739 179.182 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.681 HG12 HD23 ' A' ' 37' ' ' LEU . 8.6 m -73.0 -42.01 59.68 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.923 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.901 178.213 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.864 ' CB ' HG21 ' B' ' 75' ' ' VAL . . . -62.3 -40.97 98.05 Favored 'General case' 0 CA--C 1.513 -0.442 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.71 -178.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.12 -45.23 87.65 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 179.292 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.755 HD21 ' HA ' ' A' ' 54' ' ' VAL . 93.4 mt -63.7 -41.1 98.17 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.703 174.742 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.603 HG21 ' HB3' ' B' ' 8' ' ' MET . 19.4 m -61.2 -50.89 71.27 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.61 -177.29 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 10.3 p -62.78 -43.23 98.6 Favored 'Isoleucine or valine' 0 C--O 1.24 0.587 0 C-N-CA 120.433 -0.507 . . . . 0.0 110.737 179.606 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -56.6 -52.26 65.52 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.655 179.321 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.737 ' SD ' ' HB3' ' A' ' 47' ' ' ALA . 24.7 ttp -70.1 -43.02 71.93 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.356 -0.538 . . . . 0.0 110.598 179.711 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.408 ' OD1' HG13 ' B' ' 12' ' ' ILE . 7.0 m120 -64.1 -31.29 72.42 Favored 'General case' 0 CA--C 1.499 -0.988 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -175.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -56.53 -33.11 65.75 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 178.424 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.587 ' O ' ' N ' ' A' ' 92' ' ' ASN . 39.3 t80 -58.77 -45.68 89.22 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 179.246 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -55.07 -44.96 75.29 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 119.582 -0.847 . . . . 0.0 110.526 -172.501 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.424 ' CD1' ' CE1' ' B' ' 16' ' ' HIS . 83.9 m95 -69.65 -46.62 65.72 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-O 121.167 0.508 . . . . 0.0 110.476 179.031 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -68.63 -24.98 64.62 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.465 -0.788 . . . . 0.0 110.653 179.242 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.587 ' N ' ' O ' ' A' ' 88' ' ' PHE . 51.8 t30 -47.12 122.82 4.77 Favored 'General case' 0 CA--C 1.501 -0.917 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.061 -175.649 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 52.2 m . . . . . 0 C--O 1.201 -1.449 0 CA-C-O 118.316 -0.849 . . . . 0.0 109.942 -174.575 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.748 0 N-CA-C 110.649 -0.981 . . . . 0.0 110.649 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 5.9 m -72.47 157.8 36.94 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.662 0.231 . . . . 0.0 110.683 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.504 ' O ' ' N ' ' B' ' 7' ' ' ALA . 67.8 mt-10 -56.92 -30.22 63.78 Favored 'General case' 0 CA--C 1.511 -0.531 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 177.106 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.667 HD12 HD23 ' A' ' 11' ' ' LEU . 3.5 mm? -61.97 -42.24 98.9 Favored 'General case' 0 CA--C 1.51 -0.591 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 175.723 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.426 ' CD ' ' H ' ' A' ' 43' ' ' GLY . 35.8 mt-10 -62.55 -42.55 99.6 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 177.255 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 9.6 m -61.65 -44.72 96.45 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.695 173.68 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.566 ' HB1' ' HB1' ' A' ' 7' ' ' ALA . . . -58.26 -45.41 87.88 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 178.477 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 8' ' ' MET . . . . . 0.603 ' HB3' HG21 ' A' ' 82' ' ' THR . 94.0 mmm -63.2 -41.56 99.19 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.393 177.577 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -64.14 -37.68 88.34 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 120.12 -0.632 . . . . 0.0 110.604 175.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 9.7 m -57.53 -43.42 84.34 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 178.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.829 HD23 ' CD1' ' A' ' 4' ' ' LEU . 73.0 mt -62.42 -42.7 99.64 Favored 'General case' 0 C--O 1.24 0.569 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.047 174.566 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.518 HD13 ' CD1' ' B' ' 71' ' ' PHE . 17.0 mm -62.83 -44.76 99.77 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.554 0 CA-C-N 116.132 -0.486 . . . . 0.0 109.766 -178.8 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -61.54 -43.1 99.48 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.687 -176.367 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.51 HG21 HD21 ' A' ' 4' ' ' LEU . 90.2 t -63.93 -46.3 94.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.921 174.701 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -58.1 -48.15 81.07 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.742 -178.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.545 ' CE1' ' HB3' ' B' ' 26' ' ' TYR . 21.9 m-70 -66.26 -39.55 89.53 Favored 'General case' 0 CA--C 1.512 -0.505 0 C-N-CA 120.695 -0.402 . . . . 0.0 111.428 178.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.61 -50.94 66.86 Favored 'General case' 0 CA--C 1.518 -0.263 0 C-N-CA 120.557 -0.457 . . . . 0.0 109.826 178.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.449 ' ND1' ' OE1' ' B' ' 32' ' ' GLU . 93.3 m-70 -67.29 -40.06 86.04 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.872 177.649 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 32.2 m -57.75 -45.41 85.93 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 121.162 0.505 . . . . 0.0 109.918 -179.669 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.4 -40.92 99.31 Favored Glycine 0 N--CA 1.447 -0.591 0 N-CA-C 110.381 -1.088 . . . . 0.0 110.381 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -64.31 -44.19 92.34 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 121.075 -0.25 . . . . 0.0 111.495 -178.591 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.461 ' HG2' ' HD2' ' B' ' 31' ' ' LYS . 95.8 mt-10 -68.4 -38.19 81.06 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.018 -0.673 . . . . 0.0 111.113 179.697 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 136.94 -20.66 3.4 Favored Glycine 0 N--CA 1.47 0.917 0 C-N-CA 120.489 -0.862 . . . . 0.0 113.494 173.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -75.88 153.19 36.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 117.417 0.609 . . . . 0.0 111.516 -178.401 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.545 ' HB3' ' CE2' ' B' ' 26' ' ' TYR . 29.7 mtmt -62.48 -44.96 95.12 Favored 'General case' 0 CA--C 1.49 -1.343 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 176.746 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.545 ' HB3' ' CE1' ' B' ' 16' ' ' HIS . 0.1 OUTLIER -161.07 90.4 0.83 Allowed 'General case' 0 N--CA 1.422 -1.852 0 CA-C-N 114.855 -1.066 . . . . 0.0 109.395 173.735 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.433 ' HG2' ' O ' ' B' ' 26' ' ' TYR . 26.0 mmmt -162.58 154.94 19.01 Favored 'General case' 0 C--N 1.31 -1.135 0 N-CA-C 106.093 -1.817 . . . . 0.0 106.093 172.81 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.638 HD11 ' HB2' ' B' ' 32' ' ' GLU . 42.1 tp -124.65 132.39 53.41 Favored 'General case' 0 C--N 1.3 -1.575 0 C-N-CA 120.281 -0.567 . . . . 0.0 110.266 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.599 ' HB2' ' HG3' ' B' ' 31' ' ' LYS . 0.0 OUTLIER -96.62 178.91 5.17 Favored 'General case' 0 C--N 1.308 -1.21 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 175.285 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.571 ' NZ ' ' O ' ' B' ' 61' ' ' LEU . 4.2 mmmm -78.51 -3.61 44.45 Favored 'General case' 0 C--N 1.309 -1.156 0 C-N-CA 120.098 -0.641 . . . . 0.0 111.493 -177.315 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.599 ' HG3' ' HB2' ' B' ' 29' ' ' SER . 0.1 OUTLIER -64.7 -69.8 0.27 Allowed 'General case' 0 C--O 1.237 0.426 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 177.487 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.638 ' HB2' HD11 ' B' ' 28' ' ' LEU . 76.3 mm-40 -68.67 -38.69 80.6 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.504 179.149 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.549 HD13 ' C ' ' B' ' 33' ' ' LEU . 2.7 tm? -57.75 -46.81 83.98 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 120.585 -0.446 . . . . 0.0 111.591 -171.036 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 9.1 mtmp? -63.62 -42.16 98.21 Favored 'General case' 0 C--N 1.319 -0.746 0 C-N-CA 119.033 -1.067 . . . . 0.0 110.352 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.429 ' O ' ' OG1' ' B' ' 39' ' ' THR . 96.9 mt-10 -68.73 -44.39 73.92 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.1 177.424 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.702 HD21 ' CE1' ' B' ' 74' ' ' TYR . 1.1 tp -60.52 -50.08 74.99 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.759 -0.655 . . . . 0.0 112.123 179.662 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.668 HD23 HG12 ' B' ' 78' ' ' VAL . 2.9 tm? -62.7 -47.42 83.72 Favored 'General case' 0 C--N 1.313 -1.002 0 C-N-CA 119.785 -0.766 . . . . 0.0 111.283 -175.12 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.648 ' HB2' HD22 ' B' ' 45' ' ' LEU . 10.8 pt20 -66.44 -41.64 88.85 Favored 'General case' 0 C--N 1.314 -0.941 0 C-N-CA 120.111 -0.636 . . . . 0.0 110.635 177.718 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.429 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 73.9 m -63.82 -54.02 41.57 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.933 -0.576 . . . . 0.0 112.484 -177.293 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -70.86 -40.19 72.47 Favored 'General case' 0 CA--C 1.515 -0.397 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -176.32 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.47 HD22 HD21 ' B' ' 37' ' ' LEU . 10.8 mp -97.31 37.2 1.36 Allowed 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.874 -178.549 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 73.4 m -53.1 -42.32 65.82 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 121.056 -0.258 . . . . 0.0 111.561 -175.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.64 -46.55 67.82 Favored Glycine 0 N--CA 1.463 0.462 0 N-CA-C 110.901 -0.879 . . . . 0.0 110.901 178.091 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.555 ' CD1' ' SD ' ' B' ' 85' ' ' MET . 11.4 m-85 -62.12 -43.11 99.54 Favored 'General case' 0 CA--C 1.514 -0.422 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 174.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.648 HD22 ' HB2' ' B' ' 38' ' ' GLN . 2.4 tp -59.49 -48.5 81.4 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.122 179.626 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -59.81 -44.72 93.86 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-O 120.936 0.398 . . . . 0.0 110.467 -178.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' ALA . . . . . 0.456 ' HB3' ' SD ' ' B' ' 85' ' ' MET . . . -67.45 -38.63 84.79 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.727 175.214 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.553 ' HG2' ' SD ' ' B' ' 85' ' ' MET . 15.3 mm-40 -65.27 -27.16 68.44 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 114.39 1.255 . . . . 0.0 114.39 -174.11 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.491 ' HG3' ' O ' ' B' ' 45' ' ' LEU . 23.5 mtpp -56.91 -42.72 80.45 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 120.337 -0.545 . . . . 0.0 111.046 -170.858 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -67.72 -21.31 65.3 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.434 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 51' ' ' VAL . . . . . 0.492 ' O ' ' N ' ' B' ' 53' ' ' ALA . 51.1 t -69.84 -20.38 23.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.413 -174.521 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.527 ' OD1' ' NZ ' ' B' ' 56' ' ' LYS . 41.2 t0 66.76 -51.44 0.46 Allowed 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 121.085 0.469 . . . . 0.0 110.531 -177.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.492 ' N ' ' O ' ' B' ' 51' ' ' VAL . . . -53.62 -24.98 15.71 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.012 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.415 HG13 ' N ' ' B' ' 55' ' ' ASP . 7.6 p -56.24 -43.93 78.0 Favored 'Isoleucine or valine' 0 C--O 1.241 0.612 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 178.769 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' B' ' 59' ' ' LYS . 32.9 t70 -60.59 -45.28 94.56 Favored 'General case' 0 CA--C 1.503 -0.838 0 CA-C-O 121.471 0.653 . . . . 0.0 109.752 175.51 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 56' ' ' LYS . . . . . 0.527 ' NZ ' ' OD1' ' B' ' 52' ' ' ASP . 60.8 mttp -66.52 -40.37 89.12 Favored 'General case' 0 C--N 1.307 -1.268 0 CA-C-N 114.625 -1.17 . . . . 0.0 111.774 -178.079 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.554 HG12 HD12 ' B' ' 77' ' ' LEU . 93.0 t -64.21 -46.15 94.25 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.603 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 176.052 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 58' ' ' MET . . . . . 0.463 ' O ' ' N ' ' B' ' 62' ' ' ASP . 64.9 ttp -60.06 -36.92 78.39 Favored 'General case' 0 N--CA 1.434 -1.239 0 CA-C-N 114.383 -1.28 . . . . 0.0 108.975 173.507 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 59' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' B' ' 55' ' ' ASP . 0.3 OUTLIER -62.3 -41.71 98.75 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.02 179.633 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -60.25 -41.27 92.85 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.463 -0.939 . . . . 0.0 108.463 177.323 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.572 ' O ' ' HB3' ' B' ' 64' ' ' ASN . 2.7 mm? -63.85 -37.62 88.06 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.058 171.625 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.463 ' N ' ' O ' ' B' ' 58' ' ' MET . 26.1 t70 -61.35 -36.23 79.61 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.302 -179.211 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 76.7 mt-10 -51.85 -44.32 63.6 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 107.26 -1.385 . . . . 0.0 107.26 175.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 64' ' ' ASN . . . . . 0.599 ' C ' ' H ' ' B' ' 66' ' ' ASP . 0.4 OUTLIER -60.21 -4.58 0.84 Allowed 'General case' 0 N--CA 1.435 -1.207 0 CA-C-N 113.579 -1.646 . . . . 0.0 111.972 -178.259 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.58 8.31 0.03 OUTLIER Glycine 0 CA--C 1.535 1.343 0 N-CA-C 111.663 -0.575 . . . . 0.0 111.663 176.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.599 ' H ' ' C ' ' B' ' 64' ' ' ASN . 14.2 t70 -57.92 -37.46 74.09 Favored 'General case' 0 CA--C 1.51 -0.563 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 176.596 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -159.17 -90.35 0.08 OUTLIER Glycine 0 C--N 1.317 -0.512 0 N-CA-C 110.509 -1.036 . . . . 0.0 110.509 177.291 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.472 ' O ' ' ND2' ' B' ' 64' ' ' ASN . 1.4 mp0 -121.87 171.58 8.81 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-O 120.663 0.268 . . . . 0.0 110.538 -178.704 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.718 HG23 ' CB ' ' B' ' 73' ' ' GLU . 1.2 p -119.47 128.3 75.86 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.949 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 171.766 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.403 ' O ' ' N ' ' B' ' 74' ' ' TYR . 0.0 OUTLIER -93.52 -176.7 4.17 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.635 -0.426 . . . . 0.0 111.118 -175.324 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.626 ' O ' HG22 ' B' ' 75' ' ' VAL . 59.4 t80 -60.5 -45.4 93.92 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 -178.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -60.17 -42.05 94.15 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.152 178.251 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.718 ' CB ' HG23 ' B' ' 69' ' ' VAL . 57.2 mt-10 -68.33 -41.78 80.27 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-O 121.139 0.495 . . . . 0.0 110.541 174.465 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 74' ' ' TYR . . . . . 0.702 ' CE1' HD21 ' B' ' 36' ' ' LEU . 30.3 t80 -61.7 -47.98 82.84 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 178.489 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.864 HG21 ' CB ' ' A' ' 79' ' ' ALA . 16.5 m -63.55 -40.13 87.89 Favored 'Isoleucine or valine' 0 C--O 1.238 0.489 0 C-N-CA 119.938 -0.705 . . . . 0.0 112.02 -177.321 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.483 HG12 ' O ' ' B' ' 73' ' ' GLU . 12.1 p -63.85 -35.46 73.3 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 C-N-CA 120.266 -0.574 . . . . 0.0 110.968 -179.091 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.554 HD12 HG12 ' B' ' 57' ' ' VAL . 51.1 tp -61.14 -49.21 78.15 Favored 'General case' 0 CA--C 1.512 -0.485 0 C-N-CA 120.791 -0.363 . . . . 0.0 110.376 178.182 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.668 HG12 HD23 ' B' ' 37' ' ' LEU . 19.3 m -69.43 -42.53 81.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 C-N-CA 120.148 -0.621 . . . . 0.0 110.505 177.031 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.876 ' CB ' HG21 ' A' ' 75' ' ' VAL . . . -64.05 -44.19 93.23 Favored 'General case' 0 CA--C 1.508 -0.644 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.56 -179.612 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 80' ' ' ALA . . . . . 0.561 ' O ' HG12 ' B' ' 83' ' ' VAL . . . -61.69 -43.2 99.31 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 -179.783 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 95.9 mt -63.26 -41.61 99.07 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.473 174.234 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.416 ' O ' ' N ' ' B' ' 86' ' ' ASN . 19.9 m -61.23 -47.56 85.5 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.812 177.03 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.561 HG12 ' O ' ' B' ' 80' ' ' ALA . 0.3 OUTLIER -62.45 -42.83 97.16 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.724 0 C-N-CA 120.287 -0.565 . . . . 0.0 110.44 -179.261 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 0.505 ' HB3' HE22 ' B' ' 48' ' ' GLN . . . -56.88 -53.47 57.58 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.229 177.862 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 85' ' ' MET . . . . . 0.555 ' SD ' ' CD1' ' B' ' 44' ' ' PHE . 79.0 mtp -65.06 -39.7 93.66 Favored 'General case' 0 CA--C 1.512 -0.488 0 C-N-CA 120.149 -0.62 . . . . 0.0 111.61 174.595 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.58 ' OD1' ' NE2' ' A' ' 16' ' ' HIS . 28.3 t30 -59.16 -44.64 92.12 Favored 'General case' 0 CA--C 1.501 -0.924 0 C-N-CA 120.462 -0.495 . . . . 0.0 109.938 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 87' ' ' ASN . . . . . 0.42 ' OD1' ' CZ ' ' A' ' 26' ' ' TYR . 38.2 t30 -64.84 -41.98 95.28 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 174.843 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.567 ' O ' ' N ' ' B' ' 92' ' ' ASN . 70.5 t80 -60.29 -44.0 95.77 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.759 178.153 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -42.31 -44.46 3.88 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.548 -178.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 90' ' ' TRP . . . . . 0.452 ' CD1' ' O ' ' B' ' 86' ' ' ASN . 29.1 m95 -69.94 -42.29 73.44 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-O 120.988 0.423 . . . . 0.0 111.2 176.304 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -67.14 -37.39 83.74 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.652 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 92' ' ' ASN . . . . . 0.567 ' N ' ' O ' ' B' ' 88' ' ' PHE . 60.1 t30 -48.65 101.05 0.03 OUTLIER 'General case' 0 C--O 1.243 0.728 0 CA-C-N 114.98 -1.009 . . . . 0.0 110.551 -175.032 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 25.5 m . . . . . 0 C--O 1.207 -1.156 0 CA-C-O 118.481 -0.771 . . . . 0.0 110.264 -176.396 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.447 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 m -69.95 167.57 17.2 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-O 120.97 0.414 . . . . 0.0 111.002 178.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.443 ' H ' ' CD ' ' A' ' 3' ' ' GLU . 1.9 mp0 -55.51 -40.45 71.8 Favored 'General case' 0 CA--C 1.505 -0.769 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 176.361 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.86 HD21 HG21 ' B' ' 14' ' ' VAL . 4.0 mm? -61.71 -45.37 94.27 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.081 -0.963 . . . . 0.0 108.744 -178.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -65.81 -45.46 82.25 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.791 179.191 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 18.6 m -63.25 -45.87 89.52 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.368 176.524 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.47 -49.2 75.33 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 178.321 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.572 ' HE1' ' HB2' ' B' ' 79' ' ' ALA . 95.8 mmm -64.59 -41.33 96.33 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.528 177.514 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -64.47 -38.96 92.85 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 120.321 -0.552 . . . . 0.0 110.255 179.606 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 11.6 m -57.22 -43.54 82.91 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 178.63 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.82 HD11 ' SD ' ' B' ' 8' ' ' MET . 85.5 mt -62.82 -40.85 98.66 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.713 175.067 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.433 HD13 ' CD1' ' A' ' 71' ' ' PHE . 17.9 mm -62.25 -43.55 98.1 Favored 'Isoleucine or valine' 0 C--O 1.238 0.461 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 178.401 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -60.86 -44.99 96.29 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 -177.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.798 HG21 HD11 ' B' ' 4' ' ' LEU . 91.7 t -67.41 -43.65 87.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.094 177.032 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -58.37 -47.93 82.26 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.308 -177.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.481 ' NE2' ' OD1' ' B' ' 86' ' ' ASN . 52.3 m-70 -62.18 -35.7 79.64 Favored 'General case' 0 CA--C 1.506 -0.725 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.961 177.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.45 ' HB3' ' O ' ' A' ' 14' ' ' VAL . . . -51.81 -50.72 60.25 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -69.68 -39.64 76.87 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.894 176.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.478 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 26.7 m -52.42 -37.04 55.77 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 119.769 -0.773 . . . . 0.0 110.231 179.057 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -56.65 -25.33 50.72 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 110.69 -0.964 . . . . 0.0 110.69 177.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.7 mmtp -65.12 -41.46 94.83 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.989 0.423 . . . . 0.0 110.301 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.502 ' OE1' ' N ' ' A' ' 29' ' ' SER . 8.3 pt-20 -115.09 -28.19 7.07 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.106 -0.952 . . . . 0.0 112.316 -170.651 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.494 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . 85.92 -121.47 5.7 Favored Glycine 0 CA--C 1.525 0.701 0 C-N-CA 121.341 -0.457 . . . . 0.0 112.523 177.274 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.1 t70 63.58 -68.03 0.09 Allowed 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 -172.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.51 ' NZ ' ' OE2' ' B' ' 91' ' ' GLU . 0.0 OUTLIER -178.99 -87.88 0.0 OUTLIER 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 114.98 -1.009 . . . . 0.0 109.09 172.233 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.443 ' CD1' ' N ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -113.88 94.76 4.98 Favored 'General case' 0 CA--C 1.499 -0.982 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 171.551 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.478 ' O ' ' HA ' ' A' ' 19' ' ' SER . 6.9 mmtp -141.41 155.69 45.87 Favored 'General case' 0 CA--C 1.482 -1.658 0 CA-C-N 115.444 -0.798 . . . . 0.0 112.56 -177.055 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.767 HD21 HD23 ' A' ' 33' ' ' LEU . 41.2 tp -136.96 117.45 13.76 Favored 'General case' 0 N--CA 1.414 -2.238 0 CA-C-N 114.159 -1.382 . . . . 0.0 108.042 173.023 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.514 ' HA ' ' HA ' ' A' ' 68' ' ' GLU . 23.3 m -85.65 158.39 20.09 Favored 'General case' 0 C--N 1.304 -1.384 0 CA-C-O 121.039 0.447 . . . . 0.0 110.574 -177.003 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.53 -5.81 9.04 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.348 -178.517 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.432 ' HG3' ' HB2' ' A' ' 29' ' ' SER . 1.0 OUTLIER -79.22 -57.33 3.78 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 175.698 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -70.71 -37.98 73.59 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.128 -0.942 . . . . 0.0 111.266 178.224 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.767 HD23 HD21 ' A' ' 28' ' ' LEU . 2.0 tm? -58.99 -45.77 89.8 Favored 'General case' 0 CA--C 1.513 -0.444 0 C-N-CA 120.917 -0.313 . . . . 0.0 111.43 -172.644 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.497 ' HG3' ' N ' ' A' ' 35' ' ' GLU . 65.0 pttt -60.62 -46.08 91.61 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 119.859 -0.736 . . . . 0.0 110.061 -178.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.497 ' N ' ' HG3' ' A' ' 34' ' ' LYS . 99.1 mt-10 -66.32 -44.83 82.28 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.611 177.232 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.615 HD21 ' CE1' ' A' ' 74' ' ' TYR . 3.3 tp -60.67 -49.56 77.01 Favored 'General case' 0 C--N 1.309 -1.181 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.748 -179.164 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.582 HD23 HG12 ' A' ' 78' ' ' VAL . 3.0 tm? -63.69 -47.26 81.9 Favored 'General case' 0 C--N 1.315 -0.896 0 C-N-CA 119.902 -0.719 . . . . 0.0 111.372 -176.423 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.708 ' HA ' HD22 ' A' ' 45' ' ' LEU . 5.5 pt20 -66.6 -42.16 87.34 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.186 0.517 . . . . 0.0 110.726 178.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.435 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 77.0 m -63.16 -50.41 70.48 Favored 'General case' 0 N--CA 1.438 -1.035 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.485 -177.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.444 ' HG2' HD12 ' A' ' 36' ' ' LEU . 75.4 mm-40 -75.48 -42.31 53.35 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -175.572 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.553 HD22 HD21 ' A' ' 37' ' ' LEU . 10.8 mp -95.59 39.32 1.13 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.906 0.384 . . . . 0.0 110.773 -177.472 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 36.6 p -54.38 -43.52 71.46 Favored 'General case' 0 C--N 1.312 -1.065 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.281 -175.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -66.93 -44.61 88.47 Favored Glycine 0 C--O 1.236 0.275 0 N-CA-C 111.524 -0.63 . . . . 0.0 111.524 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.454 ' O ' ' HG2' ' A' ' 48' ' ' GLN . 33.3 m-85 -71.14 -38.55 72.24 Favored 'General case' 0 CA--C 1.501 -0.919 0 CA-C-O 121.387 0.613 . . . . 0.0 109.595 178.194 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.708 HD22 ' HA ' ' A' ' 38' ' ' GLN . 45.0 tp -60.42 -44.61 95.57 Favored 'General case' 0 N--CA 1.436 -1.17 0 CA-C-N 115.053 -0.976 . . . . 0.0 111.256 -179.063 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.458 ' HA ' ' HE2' ' A' ' 49' ' ' LYS . 33.9 t70 -55.21 -45.59 75.92 Favored 'General case' 0 C--N 1.318 -0.772 0 C-N-CA 120.165 -0.614 . . . . 0.0 110.415 -177.853 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.39 -40.24 81.44 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.377 176.292 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.682 ' HG3' HD22 ' A' ' 81' ' ' LEU . 62.5 mm-40 -63.52 -19.77 65.05 Favored 'General case' 0 CA--C 1.514 -0.43 0 N-CA-C 112.994 0.738 . . . . 0.0 112.994 -177.472 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.458 ' HE2' ' HA ' ' A' ' 46' ' ' ASP . 36.1 mtmt -57.8 -35.61 71.07 Favored 'General case' 0 C--N 1.312 -1.065 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 178.13 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -94.57 13.04 25.39 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.448 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.533 HG21 ' NE2' ' A' ' 48' ' ' GLN . 72.5 t -117.51 131.91 68.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.997 0.427 . . . . 0.0 110.67 -178.253 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -65.23 -38.94 91.96 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.661 178.504 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.799 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -48.94 -45.29 41.52 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.928 -0.578 . . . . 0.0 112.384 -172.505 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.577 HG23 HD21 ' A' ' 81' ' ' LEU . 7.4 p -59.49 -39.34 78.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 C-N-CA 120.418 -0.513 . . . . 0.0 110.843 -176.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -55.47 -49.17 73.2 Favored 'General case' 0 CA--C 1.508 -0.655 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 178.286 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.457 ' O ' ' HB3' ' A' ' 59' ' ' LYS . 66.6 mttm -65.04 -38.6 91.42 Favored 'General case' 0 C--N 1.309 -1.172 0 CA-C-N 114.414 -1.266 . . . . 0.0 111.543 176.813 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.799 HG23 ' O ' ' A' ' 53' ' ' ALA . 84.7 t -62.1 -44.44 99.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 -179.554 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.468 ' HG3' ' O ' ' A' ' 54' ' ' VAL . 3.9 mtm -59.54 -39.81 85.19 Favored 'General case' 0 CA--C 1.507 -0.686 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 178.216 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.475 ' NZ ' ' OE2' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -62.99 -40.1 96.74 Favored 'General case' 0 C--N 1.308 -1.229 0 CA-C-N 114.085 -1.416 . . . . 0.0 111.19 -179.56 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -66.02 -44.39 84.84 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.221 0.534 . . . . 0.0 110.343 178.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.635 ' HG ' HD13 ' A' ' 77' ' ' LEU . 3.1 mm? -64.21 -38.98 93.0 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.798 176.556 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -59.0 -34.62 72.06 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.233 -0.894 . . . . 0.0 112.322 -172.427 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.475 ' OE2' ' NZ ' ' A' ' 59' ' ' LYS . 80.1 mm-40 -51.7 -64.74 0.72 Allowed 'General case' 0 CA--C 1.509 -0.623 0 C-N-CA 120.394 -0.523 . . . . 0.0 110.226 -178.188 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.528 ' O ' ' N ' ' A' ' 66' ' ' ASP . 0.1 OUTLIER -65.87 -36.72 84.22 Favored 'General case' 0 CA--C 1.498 -1.026 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.688 177.329 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.1 52.75 0.06 OUTLIER Glycine 0 N--CA 1.446 -0.653 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 -178.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.528 ' N ' ' O ' ' A' ' 64' ' ' ASN . 25.7 t70 -59.71 -40.98 89.76 Favored 'General case' 0 CA--C 1.501 -0.94 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 175.405 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -150.84 -40.0 0.03 OUTLIER Glycine 0 C--N 1.303 -1.252 0 N-CA-C 109.293 -1.523 . . . . 0.0 109.293 175.548 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.514 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 18.9 mt-10 -115.6 152.48 33.01 Favored 'General case' 0 N--CA 1.439 -1.019 0 CA-C-N 115.328 -0.436 . . . . 0.0 110.547 179.295 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.547 HG12 ' O ' ' A' ' 28' ' ' LEU . 2.5 p -132.73 133.03 59.62 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.397 0 N-CA-C 106.8 -1.556 . . . . 0.0 106.8 174.254 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.11 -177.79 4.58 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 120.005 -0.678 . . . . 0.0 112.316 -172.412 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.527 ' O ' HG22 ' A' ' 75' ' ' VAL . 66.7 t80 -61.03 -44.36 97.51 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.582 -178.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -59.38 -40.76 87.56 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.265 0.555 . . . . 0.0 109.55 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.615 ' O ' HD11 ' A' ' 61' ' ' LEU . 99.3 mt-10 -72.25 -40.74 67.48 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.297 175.746 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.615 ' CE1' HD21 ' A' ' 36' ' ' LEU . 31.8 t80 -60.4 -45.71 92.61 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.995 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.904 HG21 ' CB ' ' B' ' 79' ' ' ALA . 19.7 m -63.8 -43.02 97.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 C-N-CA 120.752 -0.379 . . . . 0.0 111.963 -177.833 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.464 HG22 ' O ' ' A' ' 73' ' ' GLU . 32.0 m -65.99 -36.33 77.23 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.689 0 CA-C-O 120.936 0.398 . . . . 0.0 110.69 179.341 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.732 HD23 HD21 ' A' ' 33' ' ' LEU . 56.6 tp -60.91 -48.43 81.83 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.006 -179.441 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.582 HG12 HD23 ' A' ' 37' ' ' LEU . 11.9 m -72.9 -41.28 60.66 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.907 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.325 176.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.807 ' CB ' HG21 ' B' ' 75' ' ' VAL . . . -62.58 -42.49 99.59 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.016 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.509 ' HB2' ' NE2' ' B' ' 72' ' ' GLN . . . -56.06 -47.65 77.53 Favored 'General case' 0 CA--C 1.514 -0.413 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 179.45 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.682 HD22 ' HG3' ' A' ' 48' ' ' GLN . 92.3 mt -63.17 -41.03 99.16 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.637 176.369 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.514 HG21 ' HB3' ' B' ' 8' ' ' MET . 21.0 m -61.36 -50.59 72.28 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.748 -179.066 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 14.6 p -64.02 -42.98 97.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 C-N-CA 119.823 -0.751 . . . . 0.0 110.355 178.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.08 -52.19 66.27 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.152 177.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 85.5 mmm -66.37 -42.68 87.62 Favored 'General case' 0 CA--C 1.515 -0.381 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 176.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.679 ' CG ' HG21 ' B' ' 12' ' ' ILE . 2.2 t-20 -63.29 -42.32 99.06 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 119.375 -0.93 . . . . 0.0 108.832 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.435 ' CG ' ' HB2' ' A' ' 92' ' ' ASN . 41.9 t30 -61.62 -39.54 91.63 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.941 175.078 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.565 ' HA ' ' HB3' ' A' ' 92' ' ' ASN . 53.5 t80 -60.14 -44.02 95.26 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.206 174.168 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -59.1 -43.26 91.86 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.299 178.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.516 ' NE1' ' OD1' ' A' ' 86' ' ' ASN . 63.1 m95 -85.66 -83.42 0.17 Allowed 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.051 -0.659 . . . . 0.0 112.252 -177.333 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 90.0 mt-10 -109.63 -25.12 10.59 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 115.402 1.63 . . . . 0.0 115.402 -172.056 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.565 ' HB3' ' HA ' ' A' ' 88' ' ' PHE . 42.1 t30 -66.44 100.38 0.65 Allowed 'General case' 0 CA--C 1.505 -0.785 0 C-N-CA 118.357 -1.337 . . . . 0.0 109.754 -175.135 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.4 m . . . . . 0 C--O 1.209 -1.077 0 CA-C-O 118.259 -0.876 . . . . 0.0 109.642 -174.274 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 0.383 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' SER . . . . . 0.405 ' HB2' ' O ' ' A' ' 40' ' ' GLU . 16.8 m -77.58 152.54 33.91 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 120.891 0.377 . . . . 0.0 111.109 179.281 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -56.83 -26.88 59.26 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 175.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.798 HD11 HG21 ' A' ' 14' ' ' VAL . 51.5 mt -61.59 -42.01 98.25 Favored 'General case' 0 N--CA 1.441 -0.885 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.774 179.674 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -62.41 -40.94 98.17 Favored 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 178.046 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 7.4 m -63.6 -46.45 85.75 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 174.022 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.88 -46.59 84.64 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.309 -179.664 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' MET . . . . . 0.82 ' SD ' HD11 ' A' ' 11' ' ' LEU . 94.5 mmm -63.8 -41.64 97.87 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.342 -0.543 . . . . 0.0 110.929 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 9' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' B' ' 13' ' ' ASN . 69.0 mt-10 -66.7 -35.63 80.59 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 119.534 -0.867 . . . . 0.0 110.674 174.779 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.453 ' HA ' HD22 ' B' ' 13' ' ' ASN . 12.6 m -57.95 -42.48 85.04 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 175.562 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.637 HD23 ' CD1' ' A' ' 4' ' ' LEU . 99.3 mt -62.37 -42.29 99.29 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 175.601 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.795 HG22 ' CD2' ' B' ' 16' ' ' HIS . 19.7 mm -63.22 -43.27 98.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 177.532 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 13' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' B' ' 9' ' ' GLU . 94.0 m-20 -60.37 -42.84 96.64 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.389 -175.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.86 HG21 HD21 ' A' ' 4' ' ' LEU . 99.6 t -64.33 -44.39 97.24 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.834 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 174.514 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.413 ' CE1' ' HB2' ' B' ' 28' ' ' LEU . 60.2 t80 -59.37 -47.85 83.85 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.982 -179.043 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.795 ' CD2' HG22 ' B' ' 12' ' ' ILE . 80.0 m-70 -59.22 -42.5 91.17 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.344 177.589 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.54 -48.53 71.89 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.701 -176.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.643 ' CD2' HD22 ' B' ' 36' ' ' LEU . 96.6 m-70 -68.6 -40.06 80.6 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.564 176.576 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 31.5 m -54.35 -34.14 60.5 Favored 'General case' 0 C--O 1.24 0.582 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 173.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.16 -33.22 78.9 Favored Glycine 0 CA--C 1.519 0.294 0 CA-C-N 115.08 -0.964 . . . . 0.0 110.725 175.688 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.43 ' HB2' ' O ' ' B' ' 18' ' ' HIS . 21.6 mmtp -63.39 -44.85 93.52 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.833 0.349 . . . . 0.0 110.344 -177.855 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.425 ' HG3' ' H ' ' B' ' 24' ' ' ASP . 16.5 pt-20 -87.19 -39.33 15.58 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.705 -0.68 . . . . 0.0 112.058 -175.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 139.44 -24.15 2.8 Favored Glycine 0 CA--C 1.523 0.537 0 C-N-CA 120.498 -0.858 . . . . 0.0 112.714 177.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.425 ' H ' ' HG3' ' B' ' 22' ' ' GLU . 7.4 t70 -71.39 152.94 42.68 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 117.253 0.526 . . . . 0.0 111.085 -178.208 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.606 ' H ' ' HD3' ' B' ' 25' ' ' LYS . 0.0 OUTLIER -67.59 -41.1 84.63 Favored 'General case' 0 C--O 1.245 0.858 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 174.58 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.571 ' HB3' ' CE1' ' B' ' 16' ' ' HIS . 1.6 p90 -153.92 93.08 1.61 Allowed 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.325 174.093 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 3.8 mmmm -156.94 155.46 31.39 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 106.416 -1.698 . . . . 0.0 106.416 166.489 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.562 HD21 HD23 ' B' ' 33' ' ' LEU . 51.2 tp -125.22 123.77 40.27 Favored 'General case' 0 C--N 1.298 -1.633 0 C-N-CA 119.412 -0.915 . . . . 0.0 110.937 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 7.5 p -88.96 167.48 13.16 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-O 121.171 0.51 . . . . 0.0 110.656 176.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.551 ' O ' ' NZ ' ' B' ' 34' ' ' LYS . 0.0 OUTLIER -72.61 -5.29 36.27 Favored 'General case' 0 C--N 1.311 -1.085 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 176.087 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 62.9 mttm -61.85 -42.07 98.59 Favored 'General case' 0 CA--C 1.505 -0.781 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.507 ' HB3' ' ND1' ' B' ' 18' ' ' HIS . 56.2 mm-40 -109.76 -35.19 6.25 Favored 'General case' 0 N--CA 1.437 -1.082 0 CA-C-N 114.141 -1.39 . . . . 0.0 111.255 -173.695 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.698 HD13 ' C ' ' B' ' 33' ' ' LEU . 2.5 tm? -57.1 -48.64 78.13 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 120.449 -0.5 . . . . 0.0 111.977 -168.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.551 ' NZ ' ' O ' ' B' ' 30' ' ' LYS . 25.3 pttm -64.61 -39.06 93.04 Favored 'General case' 0 C--N 1.314 -0.969 0 C-N-CA 119.67 -0.812 . . . . 0.0 110.837 179.492 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.457 ' O ' ' HG2' ' B' ' 38' ' ' GLN . 60.6 mm-40 -69.27 -49.92 51.65 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 109.098 -0.705 . . . . 0.0 109.098 179.423 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.643 HD22 ' CD2' ' B' ' 18' ' ' HIS . 0.1 OUTLIER -63.58 -46.29 86.53 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-N 115.714 -0.675 . . . . 0.0 112.185 178.273 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.667 HD23 HG12 ' B' ' 78' ' ' VAL . 2.8 tm? -62.15 -46.8 87.39 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 120.682 -0.407 . . . . 0.0 111.004 -175.248 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.457 ' HG2' ' O ' ' B' ' 35' ' ' GLU . 8.6 pt20 -66.22 -41.56 89.93 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 119.857 -0.737 . . . . 0.0 110.134 176.737 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 91.6 m -65.11 -54.25 32.8 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.791 -0.64 . . . . 0.0 112.523 -177.525 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.457 ' HB3' ' HB2' ' A' ' 4' ' ' LEU . 77.2 mm-40 -70.56 -37.83 74.06 Favored 'General case' 0 CA--C 1.511 -0.553 0 C-N-CA 119.985 -0.686 . . . . 0.0 112.26 -175.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.437 HD22 HD21 ' B' ' 37' ' ' LEU . 10.3 mp -95.1 34.57 1.37 Allowed 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.454 179.218 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 75.7 m -53.51 -43.38 68.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.611 -177.621 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -64.53 -47.02 88.43 Favored Glycine 0 C--N 1.321 -0.301 0 N-CA-C 110.769 -0.932 . . . . 0.0 110.769 178.282 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.556 ' HA ' ' SD ' ' B' ' 85' ' ' MET . 74.2 m-85 -64.58 -42.62 95.49 Favored 'General case' 0 CA--C 1.509 -0.618 0 CA-C-O 121.077 0.465 . . . . 0.0 110.058 177.627 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.606 ' O ' HD12 ' B' ' 45' ' ' LEU . 2.3 tp -61.07 -46.87 88.92 Favored 'General case' 0 N--CA 1.44 -0.933 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.557 177.192 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -63.81 -40.75 97.39 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-O 120.949 0.404 . . . . 0.0 110.685 176.488 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 47' ' ' ALA . . . . . 0.531 ' CB ' ' SD ' ' B' ' 85' ' ' MET . . . -66.87 -36.21 81.8 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.073 179.28 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.478 ' NE2' HG21 ' B' ' 51' ' ' VAL . 41.2 mm-40 -110.65 11.85 22.73 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.863 -174.044 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' B' ' 45' ' ' LEU . 0.0 OUTLIER -59.58 -45.03 93.06 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.333 0.587 . . . . 0.0 110.069 -177.545 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -94.34 20.77 7.79 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 115.057 -0.974 . . . . 0.0 110.404 -177.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 51' ' ' VAL . . . . . 0.622 ' O ' HG12 ' B' ' 54' ' ' VAL . 64.8 t -112.57 133.5 58.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.015 -177.083 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -59.16 -34.77 72.48 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.621 -175.357 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.486 ' H ' HG12 ' B' ' 51' ' ' VAL . . . -53.96 -35.44 61.79 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.885 -176.248 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.622 HG12 ' O ' ' B' ' 51' ' ' VAL . 7.7 p -58.47 -42.15 83.58 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 C-N-CA 119.815 -0.754 . . . . 0.0 109.871 -177.118 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.498 ' O ' ' N ' ' B' ' 59' ' ' LYS . 31.6 t70 -59.87 -50.15 74.91 Favored 'General case' 0 CA--C 1.506 -0.717 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.025 175.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 36.6 mttm -62.84 -43.41 98.88 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-N 115.169 -0.923 . . . . 0.0 111.221 -176.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.878 HG12 HD12 ' B' ' 77' ' ' LEU . 78.0 t -67.96 -46.25 82.23 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 CA-C-O 121.934 0.873 . . . . 0.0 109.355 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 67.3 ttp -67.26 -41.15 86.02 Favored 'General case' 0 C--N 1.305 -1.327 0 CA-C-N 114.64 -1.164 . . . . 0.0 111.878 178.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 59' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' B' ' 55' ' ' ASP . 24.1 tptp -54.25 -59.03 5.21 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.587 0.588 . . . . 0.0 112.587 -171.156 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -67.25 -40.25 86.24 Favored 'General case' 0 CA--C 1.515 -0.399 0 C-N-CA 119.625 -0.83 . . . . 0.0 111.6 -178.671 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.558 ' HG ' HD13 ' B' ' 77' ' ' LEU . 4.0 mm? -62.35 -42.2 99.2 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.36 -0.536 . . . . 0.0 110.315 178.63 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.405 ' HA ' ' CE ' ' B' ' 30' ' ' LYS . 28.6 t70 -63.11 -44.69 94.95 Favored 'General case' 0 N--CA 1.446 -0.639 0 C-N-CA 119.794 -0.762 . . . . 0.0 110.75 177.431 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -66.28 -42.11 88.89 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.179 0.514 . . . . 0.0 109.979 177.548 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 64' ' ' ASN . . . . . 0.497 ' C ' ' H ' ' B' ' 66' ' ' ASP . 89.5 m-20 -61.68 -40.86 96.45 Favored 'General case' 0 CA--C 1.502 -0.901 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.358 178.667 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -71.04 46.31 0.76 Allowed Glycine 0 N--CA 1.447 -0.61 0 N-CA-C 109.569 -1.412 . . . . 0.0 109.569 176.364 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.497 ' H ' ' C ' ' B' ' 64' ' ' ASN . 42.4 t0 -61.97 -35.0 77.17 Favored 'General case' 0 CA--C 1.502 -0.866 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -127.68 -53.44 0.13 Allowed Glycine 0 C--N 1.313 -0.719 0 N-CA-C 109.879 -1.288 . . . . 0.0 109.879 177.42 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -138.72 157.94 45.16 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 122.61 0.364 . . . . 0.0 110.402 -179.289 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.485 HG12 ' O ' ' B' ' 28' ' ' LEU . 2.4 p -121.49 125.89 74.14 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.999 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 169.484 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.555 ' CG ' ' N ' ' B' ' 71' ' ' PHE . 0.6 OUTLIER -93.21 174.37 7.25 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 122.174 -0.329 . . . . 0.0 111.646 -173.742 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.626 ' CD1' HD13 ' B' ' 12' ' ' ILE . 72.3 t80 -59.42 -46.14 89.57 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 120.727 0.299 . . . . 0.0 110.872 -175.187 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.509 ' NE2' ' HB2' ' A' ' 80' ' ' ALA . 7.5 mm100 -58.89 -39.29 80.99 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.337 0.589 . . . . 0.0 110.172 178.586 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -70.1 -41.79 73.55 Favored 'General case' 0 C--N 1.307 -1.242 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.749 176.123 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 28.3 t80 -61.46 -48.38 81.4 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.571 -0.74 . . . . 0.0 112.181 179.688 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.807 HG21 ' CB ' ' A' ' 79' ' ' ALA . 13.8 m -63.4 -42.75 97.42 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 C-N-CA 120.337 -0.545 . . . . 0.0 112.438 -177.781 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 11.8 p -64.57 -37.39 79.94 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.717 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.878 HD12 HG12 ' B' ' 57' ' ' VAL . 66.7 tp -61.14 -47.74 84.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.669 -179.026 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.667 HG12 HD23 ' B' ' 37' ' ' LEU . 19.7 m -70.54 -42.15 78.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 C-N-CA 120.254 -0.578 . . . . 0.0 110.91 176.15 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.904 ' CB ' HG21 ' A' ' 75' ' ' VAL . . . -60.88 -46.01 92.28 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.691 -178.277 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 80' ' ' ALA . . . . . 0.461 ' O ' HG12 ' B' ' 83' ' ' VAL . . . -61.97 -39.78 93.32 Favored 'General case' 0 N--CA 1.445 -0.721 0 C-N-CA 120.173 -0.611 . . . . 0.0 109.741 -179.472 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.652 ' HG ' HG11 ' B' ' 57' ' ' VAL . 97.9 mt -63.32 -41.51 98.92 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 172.233 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.47 ' HA ' ' CE1' ' B' ' 44' ' ' PHE . 17.7 m -62.11 -50.32 72.36 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.351 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.461 HG12 ' O ' ' B' ' 80' ' ' ALA . 1.4 p -63.48 -41.17 91.73 Favored 'Isoleucine or valine' 0 C--O 1.238 0.464 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.208 179.012 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -56.66 -50.93 70.62 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.333 178.138 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 85' ' ' MET . . . . . 0.556 ' SD ' ' HA ' ' B' ' 44' ' ' PHE . 34.6 ttp -66.37 -40.1 89.54 Favored 'General case' 0 CA--C 1.51 -0.587 0 C-N-CA 120.029 -0.668 . . . . 0.0 109.452 177.563 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.509 ' CG ' ' HE1' ' B' ' 90' ' ' TRP . 2.3 t-20 -62.0 -40.07 94.39 Favored 'General case' 0 N--CA 1.446 -0.651 0 C-N-CA 120.285 -0.566 . . . . 0.0 110.063 -177.801 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 87' ' ' ASN . . . . . 0.436 ' ND2' ' OH ' ' A' ' 26' ' ' TYR . 5.6 t-20 -59.77 -42.77 94.04 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 174.549 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.463 ' HA ' ' HB3' ' B' ' 92' ' ' ASN . 9.5 t80 -60.12 -44.59 94.76 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.763 172.044 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 89' ' ' PHE . . . . . 0.443 ' HB2' ' HA ' ' B' ' 86' ' ' ASN . 3.8 t80 -54.01 -47.8 71.11 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 115.241 -0.891 . . . . 0.0 111.093 -170.162 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 90' ' ' TRP . . . . . 0.509 ' HE1' ' CG ' ' B' ' 86' ' ' ASN . 35.2 m95 -90.26 -72.38 0.57 Allowed 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 112.759 0.651 . . . . 0.0 112.759 -171.533 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 91' ' ' GLU . . . . . 0.51 ' OE2' ' NZ ' ' A' ' 25' ' ' LYS . 0.6 OUTLIER -107.17 -40.23 5.48 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 -171.805 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 92' ' ' ASN . . . . . 0.463 ' HB3' ' HA ' ' B' ' 88' ' ' PHE . 63.6 t-20 -67.2 111.54 4.0 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.181 0.515 . . . . 0.0 111.724 -171.1 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 2.2 m . . . . . 0 C--O 1.211 -0.933 0 CA-C-O 118.319 -0.848 . . . . 0.0 110.695 -179.844 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.734 0 N-CA-C 111.254 -0.739 . . . . 0.0 111.254 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 m -71.36 164.58 25.48 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 178.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.472 ' HB3' HG21 ' B' ' 10' ' ' THR . 56.4 mp0 -57.94 -43.39 86.33 Favored 'General case' 0 CA--C 1.514 -0.435 0 C-N-CA 120.526 -0.47 . . . . 0.0 110.068 -177.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.667 HD21 HG21 ' B' ' 14' ' ' VAL . 2.0 mm? -63.19 -43.12 99.07 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 178.744 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 64.4 mt-10 -64.45 -45.59 86.79 Favored 'General case' 0 C--N 1.311 -1.065 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 178.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 10' ' ' THR . 10.8 m -60.95 -44.44 97.28 Favored 'General case' 0 N--CA 1.44 -0.951 0 CA-C-N 115.134 -0.939 . . . . 0.0 109.271 175.329 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 3' ' ' GLU . . . -55.86 -48.91 74.7 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 176.642 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.511 ' SD ' HD11 ' B' ' 11' ' ' LEU . 96.2 mmm -64.54 -41.18 96.5 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.302 -0.559 . . . . 0.0 110.266 178.083 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.01 -38.77 89.87 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 176.486 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.466 HG22 HD13 ' B' ' 4' ' ' LEU . 10.7 m -59.77 -44.4 93.9 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 108.018 -1.105 . . . . 0.0 108.018 177.707 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.782 HD11 ' SD ' ' B' ' 8' ' ' MET . 94.5 mt -63.0 -40.9 99.16 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.745 175.069 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.546 HD13 ' CD1' ' A' ' 71' ' ' PHE . 26.5 mm -62.37 -44.4 99.17 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.67 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 177.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -60.4 -43.21 96.91 Favored 'General case' 0 CA--C 1.5 -0.957 0 C-N-CA 120.383 -0.527 . . . . 0.0 110.306 -178.067 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.986 HG21 HD21 ' B' ' 4' ' ' LEU . 94.2 t -66.54 -48.09 81.57 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.084 0 C-N-CA 120.492 -0.483 . . . . 0.0 110.028 176.661 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.521 ' CE2' ' HB2' ' A' ' 28' ' ' LEU . 61.8 t80 -59.21 -48.32 82.06 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.521 0.677 . . . . 0.0 109.38 177.005 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.472 ' N ' ' O ' ' A' ' 12' ' ' ILE . 0.9 OUTLIER -59.39 -46.6 88.21 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 114.897 -1.047 . . . . 0.0 109.836 -179.891 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.81 -47.85 81.63 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.707 179.142 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -66.49 -35.36 80.06 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.655 -0.418 . . . . 0.0 111.906 -179.3 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.423 ' OG ' ' O ' ' A' ' 27' ' ' LYS . 69.8 m -56.1 -41.22 74.89 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 170.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.1 -39.04 96.81 Favored Glycine 0 C--O 1.24 0.503 0 N-CA-C 110.629 -0.989 . . . . 0.0 110.629 174.334 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -62.53 -46.49 88.17 Favored 'General case' 0 CA--C 1.519 -0.241 0 N-CA-C 109.697 -0.482 . . . . 0.0 109.697 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.601 ' CD ' ' H ' ' A' ' 29' ' ' SER . 98.9 mt-10 -70.42 -38.4 74.59 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 176.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 122.64 -14.97 8.57 Favored Glycine 0 N--CA 1.462 0.389 0 CA-C-N 115.955 -0.566 . . . . 0.0 112.056 176.115 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -70.15 141.98 52.58 Favored 'General case' 0 CA--C 1.51 -0.584 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.191 178.36 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.431 ' HG3' ' CE1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -61.23 -41.14 96.36 Favored 'General case' 0 N--CA 1.445 -0.714 0 C-N-CA 120.691 -0.403 . . . . 0.0 110.048 179.308 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.477 ' HB3' ' CZ3' ' B' ' 90' ' ' TRP . 0.1 OUTLIER -154.89 93.6 1.57 Allowed 'General case' 0 C--O 1.239 0.545 0 CA-C-O 121.125 0.488 . . . . 0.0 111.4 170.063 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.436 ' HG2' ' O ' ' A' ' 26' ' ' TYR . 23.7 mmtm -163.51 158.94 21.45 Favored 'General case' 0 CA--C 1.503 -0.842 0 CA-C-N 114.362 -1.29 . . . . 0.0 109.559 173.339 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.553 HD21 HD23 ' A' ' 33' ' ' LEU . 41.9 tp -124.79 127.11 46.69 Favored 'General case' 0 C--N 1.308 -1.21 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 169.788 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.601 ' H ' ' CD ' ' A' ' 22' ' ' GLU . 2.0 m -100.39 -179.71 4.19 Favored 'General case' 0 C--N 1.309 -1.173 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 -179.76 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.564 ' NZ ' ' O ' ' A' ' 61' ' ' LEU . 10.0 mmmm -74.13 -4.77 37.75 Favored 'General case' 0 C--N 1.314 -0.955 0 O-C-N 121.959 -0.463 . . . . 0.0 111.924 -177.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.499 ' HG3' ' HB2' ' A' ' 29' ' ' SER . 0.2 OUTLIER -77.97 -73.87 0.29 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.072 0.463 . . . . 0.0 110.389 -178.166 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.466 ' O ' ' HB3' ' A' ' 36' ' ' LEU . 68.7 mm-40 -62.18 -32.6 73.25 Favored 'General case' 0 CA--C 1.508 -0.646 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.958 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.772 HD21 HD23 ' A' ' 77' ' ' LEU . 2.2 tm? -57.95 -43.71 86.54 Favored 'General case' 0 C--N 1.319 -0.759 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.305 -175.28 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.401 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 5.3 mtmp? -64.34 -47.85 77.79 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 119.698 -0.801 . . . . 0.0 109.624 177.038 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.1 mm-40 -73.06 -46.6 50.74 Favored 'General case' 0 CA--C 1.505 -0.776 0 CA-C-N 114.935 -1.029 . . . . 0.0 111.316 -171.594 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.583 HD13 ' CG1' ' A' ' 14' ' ' VAL . 0.1 OUTLIER -62.48 -43.46 98.77 Favored 'General case' 0 C--N 1.309 -1.162 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.292 179.681 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.799 HD23 HG12 ' A' ' 78' ' ' VAL . 2.8 tm? -62.07 -47.34 85.12 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.129 -0.628 . . . . 0.0 110.603 -178.693 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.587 ' HA ' HD22 ' A' ' 45' ' ' LEU . 14.5 pt20 -66.87 -41.04 87.95 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 119.927 -0.709 . . . . 0.0 110.443 176.497 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 91.0 m -63.61 -51.63 64.45 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.656 -177.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.871 ' HB3' HD23 ' B' ' 4' ' ' LEU . 55.2 mm-40 -79.61 -39.96 30.4 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 113.488 0.921 . . . . 0.0 113.488 -172.431 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.765 HD22 HD21 ' A' ' 37' ' ' LEU . 11.0 mp -87.2 44.5 1.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.163 0.506 . . . . 0.0 109.999 179.224 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -54.61 -42.31 71.03 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.944 -174.414 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.418 ' N ' ' OE2' ' B' ' 5' ' ' GLU . . . -71.6 -46.5 39.2 Favored Glycine 0 C--O 1.242 0.655 0 N-CA-C 111.56 -0.616 . . . . 0.0 111.56 179.493 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.493 ' O ' ' HG3' ' A' ' 48' ' ' GLN . 40.1 m-85 -68.26 -39.44 82.22 Favored 'General case' 0 CA--C 1.493 -1.233 0 CA-C-O 120.631 0.253 . . . . 0.0 110.617 178.778 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.587 HD22 ' HA ' ' A' ' 38' ' ' GLN . 43.6 tp -59.19 -45.9 89.84 Favored 'General case' 0 N--CA 1.437 -1.11 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.685 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.58 ' O ' ' NZ ' ' A' ' 49' ' ' LYS . 17.5 t70 -59.85 -44.68 93.99 Favored 'General case' 0 C--N 1.313 -0.981 0 C-N-CA 119.962 -0.695 . . . . 0.0 111.34 178.842 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.702 ' HB3' ' SD ' ' A' ' 85' ' ' MET . . . -66.3 -41.14 90.16 Favored 'General case' 0 C--N 1.314 -0.971 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 -178.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.493 ' HG3' ' O ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -77.81 -3.22 40.33 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 -175.388 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.58 ' NZ ' ' O ' ' A' ' 46' ' ' ASP . 23.8 mtmm -59.82 -39.48 85.2 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.15 -0.62 . . . . 0.0 110.246 -174.651 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -102.58 21.76 14.74 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -177.199 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.57 ' O ' ' N ' ' A' ' 53' ' ' ALA . 9.7 t -110.84 2.33 8.96 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 CA-C-O 120.771 0.319 . . . . 0.0 111.795 -177.532 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 55' ' ' ASP . 18.7 t70 58.39 -40.75 0.06 Allowed 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.603 0.761 . . . . 0.0 112.974 -179.461 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.57 ' N ' ' O ' ' A' ' 51' ' ' VAL . . . -45.92 -31.09 1.99 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.925 0.393 . . . . 0.0 110.839 -175.462 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.557 ' HA ' HD21 ' A' ' 81' ' ' LEU . 7.2 p -58.74 -42.97 86.79 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.902 0 C-N-CA 120.421 -0.512 . . . . 0.0 110.085 177.565 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' A' ' 52' ' ' ASP . 28.2 t70 -57.83 -51.57 69.04 Favored 'General case' 0 CA--C 1.502 -0.89 0 CA-C-O 121.486 0.66 . . . . 0.0 109.725 177.786 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.42 ' NZ ' ' OD2' ' A' ' 52' ' ' ASP . 43.5 mmtm -66.82 -43.99 82.35 Favored 'General case' 0 C--N 1.309 -1.183 0 CA-C-N 114.771 -1.104 . . . . 0.0 110.611 -176.225 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.63 HG12 HD12 ' A' ' 77' ' ' LEU . 60.0 t -67.14 -44.41 87.93 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.524 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.711 177.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.435 ' CB ' ' O ' ' A' ' 54' ' ' VAL . 44.5 ttp -60.86 -41.26 95.54 Favored 'General case' 0 N--CA 1.432 -1.375 0 CA-C-N 115.34 -0.845 . . . . 0.0 109.886 177.441 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.524 ' O ' ' N ' ' A' ' 63' ' ' GLU . 13.7 tttm -63.73 -37.02 85.8 Favored 'General case' 0 N--CA 1.435 -1.214 0 C-N-CA 120.008 -0.677 . . . . 0.0 112.71 178.138 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.405 ' O ' ' HB2' ' A' ' 63' ' ' GLU . 72.8 mm-40 -53.59 -42.09 67.26 Favored 'General case' 0 C--N 1.312 -1.054 0 C-N-CA 119.438 -0.905 . . . . 0.0 109.276 177.646 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.76 ' HG ' HD22 ' A' ' 77' ' ' LEU . 2.3 mm? -64.47 -38.39 90.86 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.39 172.633 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.496 ' HB3' ' HG3' ' A' ' 59' ' ' LYS . 29.1 t70 -61.78 -39.75 92.78 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.536 174.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.524 ' N ' ' O ' ' A' ' 59' ' ' LYS . 72.0 mm-40 -58.82 -43.57 90.66 Favored 'General case' 0 CA--C 1.507 -0.68 0 N-CA-C 106.851 -1.536 . . . . 0.0 106.851 174.548 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.581 ' C ' ' H ' ' A' ' 66' ' ' ASP . 11.1 t-20 -64.3 -9.76 19.65 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 114.296 -1.32 . . . . 0.0 110.489 176.021 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.445 ' H ' ' C ' ' A' ' 62' ' ' ASP . . . -58.53 1.73 0.26 Allowed Glycine 0 CA--C 1.518 0.273 0 N-CA-C 109.988 -1.245 . . . . 0.0 109.988 172.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.581 ' H ' ' C ' ' A' ' 64' ' ' ASN . 37.7 t70 -58.55 -42.31 87.56 Favored 'General case' 0 CA--C 1.5 -0.969 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 175.193 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -147.42 -90.9 0.1 OUTLIER Glycine 0 N--CA 1.443 -0.841 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.395 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -142.04 166.68 24.04 Favored 'General case' 0 C--O 1.239 0.541 0 C-N-CA 122.542 0.337 . . . . 0.0 111.444 -175.467 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.713 HG23 ' HB2' ' A' ' 73' ' ' GLU . 1.0 OUTLIER -118.44 130.02 73.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.45 0.643 . . . . 0.0 110.421 179.011 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -97.05 -172.9 2.55 Favored 'General case' 0 CA--C 1.508 -0.665 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.492 -179.119 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.546 ' CD1' HD13 ' A' ' 12' ' ' ILE . 48.8 t80 -60.23 -44.38 95.25 Favored 'General case' 0 C--N 1.307 -1.244 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.541 -179.053 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.494 ' O ' HG22 ' A' ' 75' ' ' VAL . 52.7 mt-30 -59.53 -46.0 90.13 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.086 0.469 . . . . 0.0 110.06 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.713 ' HB2' HG23 ' A' ' 69' ' ' VAL . 97.6 mt-10 -69.25 -37.21 77.84 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.397 0.617 . . . . 0.0 110.305 178.435 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 30.3 t80 -60.65 -48.0 83.75 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.728 175.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.728 HG21 ' CB ' ' B' ' 79' ' ' ALA . 19.4 m -63.24 -41.9 94.47 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 C-N-CA 119.883 -0.727 . . . . 0.0 111.772 -178.333 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.41 HG12 ' O ' ' A' ' 73' ' ' GLU . 12.7 p -64.22 -37.43 79.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 C-N-CA 120.118 -0.633 . . . . 0.0 110.872 -179.101 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.772 HD23 HD21 ' A' ' 33' ' ' LEU . 50.2 tp -61.13 -49.89 75.44 Favored 'General case' 0 CA--C 1.517 -0.312 0 C-N-CA 120.177 -0.609 . . . . 0.0 110.2 179.721 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.799 HG12 HD23 ' A' ' 37' ' ' LEU . 20.6 m -67.41 -42.73 87.62 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.645 0 C-N-CA 119.884 -0.727 . . . . 0.0 110.288 176.802 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.888 ' CB ' HG21 ' B' ' 75' ' ' VAL . . . -62.64 -43.29 99.18 Favored 'General case' 0 CA--C 1.506 -0.728 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.111 -179.755 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.24 -47.3 84.0 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.557 HD21 ' HA ' ' A' ' 54' ' ' VAL . 89.5 mt -62.98 -42.12 99.75 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.92 175.119 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 18.1 m -61.99 -50.76 70.77 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.499 -179.558 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.751 HG11 ' HG3' ' B' ' 72' ' ' GLN . 8.1 p -66.28 -37.01 78.76 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.347 0 C-N-CA 120.208 -0.597 . . . . 0.0 110.859 177.706 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -58.56 -52.51 65.36 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.416 178.542 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.702 ' SD ' ' HB3' ' A' ' 47' ' ' ALA . 18.9 ttp -67.97 -43.67 78.47 Favored 'General case' 0 CA--C 1.51 -0.595 0 C-N-CA 119.672 -0.811 . . . . 0.0 109.504 176.664 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.541 ' O ' ' CD1' ' A' ' 90' ' ' TRP . 85.9 m-20 -64.74 -22.54 67.0 Favored 'General case' 0 CA--C 1.504 -0.821 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.844 -176.036 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.418 ' N ' ' O ' ' A' ' 83' ' ' VAL . 31.1 t-20 -45.82 -42.82 12.76 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 176.074 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.459 ' O ' ' N ' ' A' ' 92' ' ' ASN . 70.5 t80 -62.22 -44.57 96.27 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.564 173.471 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.51 ' N ' ' O ' ' A' ' 86' ' ' ASN . 0.3 OUTLIER -58.99 -48.4 81.71 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 -175.563 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.596 ' CH2' HG23 ' B' ' 12' ' ' ILE . 6.1 m95 -58.19 -46.8 85.16 Favored 'General case' 0 CA--C 1.508 -0.638 0 C-N-CA 118.815 -1.154 . . . . 0.0 108.49 -175.055 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -71.72 -36.59 70.54 Favored 'General case' 0 N--CA 1.44 -0.971 0 CA-C-N 114.817 -1.083 . . . . 0.0 110.726 178.509 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 88' ' ' PHE . 25.2 t-20 -46.79 117.84 1.82 Allowed 'General case' 0 CA--C 1.502 -0.886 0 CA-C-O 121.247 0.546 . . . . 0.0 111.459 -172.793 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 6.0 m . . . . . 0 C--O 1.201 -1.462 0 CA-C-N 115.021 -0.991 . . . . 0.0 108.383 -178.76 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.239 0.454 0 N-CA-C 110.493 -1.043 . . . . 0.0 110.493 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 71.3 m -82.6 168.89 16.88 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-O 121.448 0.642 . . . . 0.0 112.399 -176.31 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -55.89 -23.96 34.5 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.195 -179.212 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.986 HD21 HG21 ' A' ' 14' ' ' VAL . 1.2 mm? -60.23 -40.8 91.47 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 -179.437 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.441 ' HG2' ' HD2' ' A' ' 44' ' ' PHE . 94.1 mt-10 -60.4 -45.29 94.13 Favored 'General case' 0 N--CA 1.437 -1.077 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 179.486 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 11.1 m -61.95 -46.03 91.07 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 174.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.419 ' HB1' ' HB1' ' A' ' 7' ' ' ALA . . . -55.91 -50.66 70.08 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.19 178.6 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 8' ' ' MET . . . . . 0.782 ' SD ' HD11 ' A' ' 11' ' ' LEU . 95.6 mmm -65.4 -40.85 93.91 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.104 179.412 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 -64.58 -37.61 88.17 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.188 177.128 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.472 HG21 ' HB3' ' A' ' 3' ' ' GLU . 8.1 m -58.87 -44.44 91.08 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 178.779 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.608 HD23 HD12 ' A' ' 4' ' ' LEU . 84.0 mt -62.21 -40.96 97.85 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.82 174.774 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.596 HG23 ' CH2' ' A' ' 90' ' ' TRP . 15.9 mm -62.41 -44.77 99.58 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.177 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 178.827 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 60.1 m-80 -62.53 -42.84 99.79 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.131 0.491 . . . . 0.0 109.838 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.667 HG21 HD21 ' A' ' 4' ' ' LEU . 45.0 t -63.67 -47.25 92.05 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.188 175.364 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.509 ' CE2' ' HB2' ' B' ' 28' ' ' LEU . 57.4 t80 -58.06 -45.14 87.57 Favored 'General case' 0 C--N 1.313 -1.011 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 178.254 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.433 ' CD2' ' CE3' ' A' ' 90' ' ' TRP . 0.9 OUTLIER -53.26 -48.33 68.37 Favored 'General case' 0 C--O 1.24 0.591 0 CA-C-N 114.824 -1.08 . . . . 0.0 109.93 178.51 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.82 -46.08 86.73 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.969 -178.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.697 ' CD2' HD13 ' B' ' 36' ' ' LEU . 84.7 m-70 -66.69 -38.8 87.5 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 -176.861 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 73.8 m -54.6 -42.44 71.11 Favored 'General case' 0 C--O 1.243 0.729 0 CA-C-O 121.469 0.652 . . . . 0.0 109.793 177.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.11 -37.43 93.91 Favored Glycine 0 C--N 1.317 -0.524 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.376 179.556 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 61.9 mttm -63.31 -45.01 93.31 Favored 'General case' 0 C--O 1.242 0.664 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -177.194 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.62 ' HG3' ' CG ' ' B' ' 32' ' ' GLU . 72.2 mt-10 -73.04 -43.4 62.04 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.343 -0.543 . . . . 0.0 109.673 177.187 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 143.9 -25.7 2.08 Favored Glycine 0 CA--C 1.522 0.53 0 C-N-CA 120.997 -0.62 . . . . 0.0 113.145 175.003 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -64.38 142.18 58.51 Favored 'General case' 0 CA--C 1.511 -0.558 0 CA-C-N 117.876 0.838 . . . . 0.0 111.127 -177.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.498 ' HD2' ' CE1' ' B' ' 26' ' ' TYR . 25.8 pttt -60.46 -44.17 96.13 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.32 177.645 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.498 ' CE1' ' HD2' ' B' ' 25' ' ' LYS . 1.2 p90 -156.82 90.72 1.16 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.349 170.073 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.452 ' HA ' ' HD2' ' B' ' 27' ' ' LYS . 25.6 mmmt -166.36 169.09 14.41 Favored 'General case' 0 CA--C 1.505 -0.763 0 C-N-CA 125.436 1.495 . . . . 0.0 107.078 171.11 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.509 ' HB2' ' CE2' ' B' ' 15' ' ' PHE . 37.5 tp -125.0 130.15 51.77 Favored 'General case' 0 C--N 1.31 -1.149 0 C-N-CA 119.904 -0.718 . . . . 0.0 110.481 174.776 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -97.19 -177.33 3.81 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 177.542 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.468 ' N ' ' HD2' ' B' ' 30' ' ' LYS . 0.5 OUTLIER -82.53 -3.4 55.87 Favored 'General case' 0 C--N 1.308 -1.209 0 O-C-N 121.93 -0.481 . . . . 0.0 112.004 -173.554 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.544 ' HD2' ' HG2' ' B' ' 22' ' ' GLU . 15.1 mttm -77.8 -65.77 0.93 Allowed 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 -177.567 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.62 ' CG ' ' HG3' ' B' ' 22' ' ' GLU . 62.4 mm-40 -65.56 -35.4 80.74 Favored 'General case' 0 C--O 1.206 -1.192 0 CA-C-N 115.166 -0.925 . . . . 0.0 112.217 -179.77 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.693 HD21 HD23 ' B' ' 77' ' ' LEU . 2.1 tm? -56.32 -44.96 80.49 Favored 'General case' 0 C--N 1.31 -1.112 0 C-N-CA 120.57 -0.452 . . . . 0.0 111.319 -170.222 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.455 ' NZ ' ' O ' ' B' ' 30' ' ' LYS . 30.8 mttp -63.57 -45.21 91.49 Favored 'General case' 0 C--N 1.318 -0.8 0 C-N-CA 119.335 -0.946 . . . . 0.0 109.027 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.532 ' HG3' ' O ' ' B' ' 31' ' ' LYS . 1.0 OUTLIER -71.13 -39.07 72.23 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.82 -1.082 . . . . 0.0 110.584 -178.843 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.697 HD13 ' CD2' ' B' ' 18' ' ' HIS . 2.0 tp -60.04 -47.15 87.05 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.731 178.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.846 HD21 HD22 ' B' ' 41' ' ' LEU . 2.6 tm? -62.61 -46.45 88.23 Favored 'General case' 0 C--N 1.314 -0.968 0 C-N-CA 120.209 -0.596 . . . . 0.0 111.028 -178.388 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.777 ' HB2' HD22 ' B' ' 45' ' ' LEU . 14.8 pt20 -64.93 -40.09 94.5 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 119.622 -0.831 . . . . 0.0 110.588 176.473 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 77.3 m -62.79 -49.52 74.65 Favored 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 -175.002 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.632 ' HG2' HD12 ' B' ' 36' ' ' LEU . 35.8 mm-40 -83.4 -36.79 24.02 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.449 -0.5 . . . . 0.0 111.833 -174.122 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.846 HD22 HD21 ' B' ' 37' ' ' LEU . 10.6 mp -91.87 45.07 1.2 Allowed 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.498 -178.643 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 15.2 m -52.1 -44.22 64.31 Favored 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 111.83 0.307 . . . . 0.0 111.83 -172.699 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.81 -45.24 53.35 Favored Glycine 0 CA--C 1.528 0.896 0 N-CA-C 111.277 -0.729 . . . . 0.0 111.277 178.134 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.512 ' CZ ' HG23 ' B' ' 82' ' ' THR . 29.9 m-85 -64.82 -37.21 86.84 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-O 120.972 0.415 . . . . 0.0 110.039 176.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.777 HD22 ' HB2' ' B' ' 38' ' ' GLN . 2.3 tp -58.26 -46.43 86.01 Favored 'General case' 0 CA--C 1.505 -0.759 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.765 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.466 ' O ' ' NZ ' ' B' ' 49' ' ' LYS . 38.7 t70 -63.88 -42.72 97.43 Favored 'General case' 0 C--N 1.312 -1.063 0 C-N-CA 119.925 -0.71 . . . . 0.0 110.704 178.773 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.41 -41.12 80.87 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.964 -0.562 . . . . 0.0 112.071 -179.65 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.496 ' HG3' ' O ' ' B' ' 45' ' ' LEU . 0.1 OUTLIER -70.88 -7.01 42.59 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 120.443 -0.503 . . . . 0.0 111.583 -176.631 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.466 ' NZ ' ' O ' ' B' ' 46' ' ' ASP . 22.6 mtmm -59.57 -38.38 81.0 Favored 'General case' 0 CA--C 1.512 -0.485 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 -179.249 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -109.44 36.73 2.83 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.768 -176.716 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 51' ' ' VAL . . . . . 0.603 ' O ' HG12 ' B' ' 54' ' ' VAL . 54.3 t -119.51 132.8 68.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 178.459 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.472 ' OD1' ' NZ ' ' B' ' 56' ' ' LYS . 33.4 t70 -62.77 -39.06 93.01 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 112.405 0.52 . . . . 0.0 112.405 -176.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.448 ' O ' HG23 ' B' ' 57' ' ' VAL . . . -61.09 -36.0 78.5 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 113.375 0.879 . . . . 0.0 113.375 -171.499 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.603 HG12 ' O ' ' B' ' 51' ' ' VAL . 7.7 p -53.58 -45.12 59.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 C-N-CA 120.324 -0.55 . . . . 0.0 111.0 -173.134 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -61.56 -39.95 92.95 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.651 -0.499 . . . . 0.0 109.651 178.053 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 56' ' ' LYS . . . . . 0.472 ' NZ ' ' OD1' ' B' ' 52' ' ' ASP . 36.9 mmtm -68.99 -44.55 72.6 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.911 179.371 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.448 HG23 ' O ' ' B' ' 53' ' ' ALA . 77.3 t -62.42 -43.9 98.7 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.647 -176.237 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 23.4 ptp -63.39 -15.26 57.02 Favored 'General case' 0 C--N 1.317 -0.835 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.813 -177.571 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 59' ' ' LYS . . . . . 0.546 ' O ' ' HG2' ' B' ' 63' ' ' GLU . 0.1 OUTLIER -60.79 -47.53 85.92 Favored 'General case' 0 CA--C 1.503 -0.864 0 C-N-CA 120.39 -0.524 . . . . 0.0 109.712 -178.964 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 53.2 mp0 -61.31 -39.9 92.21 Favored 'General case' 0 CA--C 1.509 -0.614 0 O-C-N 123.54 0.525 . . . . 0.0 109.678 179.203 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.483 ' CD2' HD13 ' B' ' 77' ' ' LEU . 3.7 mm? -62.05 -40.76 96.84 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 175.826 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.482 ' HB3' ' NZ ' ' B' ' 59' ' ' LYS . 28.9 t70 -64.22 -42.16 96.71 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.733 173.568 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 63' ' ' GLU . . . . . 0.546 ' HG2' ' O ' ' B' ' 59' ' ' LYS . 75.2 mm-40 -59.49 -44.21 93.13 Favored 'General case' 0 CA--C 1.505 -0.772 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 176.662 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 64' ' ' ASN . . . . . 0.459 ' O ' ' NZ ' ' B' ' 30' ' ' LYS . 24.4 t-20 -67.82 6.36 0.7 Allowed 'General case' 0 C--N 1.31 -1.145 0 CA-C-N 113.728 -1.578 . . . . 0.0 110.543 175.319 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.433 ' H ' ' C ' ' B' ' 63' ' ' GLU . . . -79.58 -8.47 87.71 Favored Glycine 0 C--O 1.235 0.201 0 N-CA-C 109.896 -1.282 . . . . 0.0 109.896 178.125 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -64.25 -37.69 88.38 Favored 'General case' 0 CA--C 1.499 -1.001 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 173.668 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -132.16 -131.34 3.21 Favored Glycine 0 C--N 1.305 -1.142 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 -177.237 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -120.09 172.54 7.69 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-O 121.542 0.687 . . . . 0.0 111.614 -178.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.929 HG23 ' HB2' ' B' ' 73' ' ' GLU . 0.5 OUTLIER -122.66 135.29 63.22 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 CA-C-N 114.496 -1.229 . . . . 0.0 107.879 177.48 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.469 ' HA ' ' CZ ' ' B' ' 15' ' ' PHE 0.254 7.1 p30 -120.9 -156.75 0.69 Allowed 'General case' 0 C--N 1.305 -1.363 0 C-N-CA 118.899 -1.12 . . . . 0.0 110.907 175.251 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.624 ' O ' HG22 ' B' ' 75' ' ' VAL . 43.0 t80 -59.15 -42.55 90.96 Favored 'General case' 0 C--N 1.289 -2.061 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 -174.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.751 ' HG3' HG11 ' A' ' 83' ' ' VAL . 47.7 mt-30 -61.82 -44.82 96.09 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.835 179.025 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.929 ' HB2' HG23 ' B' ' 69' ' ' VAL . 55.2 mp0 -70.14 -38.69 75.58 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 120.206 -0.597 . . . . 0.0 110.49 175.267 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 74' ' ' TYR . . . . . 0.624 ' CE1' HD21 ' B' ' 36' ' ' LEU . 24.1 t80 -61.53 -47.59 84.89 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.022 -0.535 . . . . 0.0 112.379 -178.774 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.888 HG21 ' CB ' ' A' ' 79' ' ' ALA . 17.5 m -63.31 -41.71 93.75 Favored 'Isoleucine or valine' 0 C--O 1.237 0.413 0 C-N-CA 120.222 -0.591 . . . . 0.0 112.255 -178.038 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.412 ' O ' ' N ' ' B' ' 80' ' ' ALA . 10.2 p -64.43 -39.21 84.76 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 C-N-CA 120.576 -0.45 . . . . 0.0 111.098 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.693 HD23 HD21 ' B' ' 33' ' ' LEU . 58.3 tp -61.23 -48.52 81.1 Favored 'General case' 0 CA--C 1.516 -0.34 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.654 -179.174 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.759 HG12 HD23 ' B' ' 37' ' ' LEU . 17.5 m -67.93 -41.85 85.11 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.815 0 C-N-CA 119.911 -0.716 . . . . 0.0 110.389 177.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.728 ' CB ' HG21 ' A' ' 75' ' ' VAL . . . -63.81 -41.36 97.89 Favored 'General case' 0 CA--C 1.51 -0.579 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.989 178.066 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 80' ' ' ALA . . . . . 0.461 ' O ' HG12 ' B' ' 83' ' ' VAL . . . -57.7 -48.6 79.09 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 178.768 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' B' ' 81' ' ' LEU . 88.3 mt -63.14 -42.82 99.55 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.319 175.393 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.639 HG22 ' OD1' ' B' ' 86' ' ' ASN . 9.4 m -63.53 -49.91 71.62 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.655 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.461 HG12 ' O ' ' B' ' 80' ' ' ALA . 1.6 p -60.94 -43.71 96.49 Favored 'Isoleucine or valine' 0 C--O 1.238 0.496 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.465 178.416 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -58.28 -48.2 81.22 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 176.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 39.7 tpp -64.42 -40.0 94.91 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.19 178.327 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.639 ' OD1' HG22 ' B' ' 82' ' ' THR . 13.7 m120 -61.37 -37.7 84.3 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.948 -177.472 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -46.33 -41.71 13.72 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-O 120.956 0.407 . . . . 0.0 110.232 -177.573 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -60.35 -47.23 86.94 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.687 171.129 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 89' ' ' PHE . . . . . 0.534 ' N ' ' O ' ' B' ' 86' ' ' ASN . 5.8 t80 -58.05 -47.83 81.95 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 115.627 -0.715 . . . . 0.0 112.392 -173.338 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 90' ' ' TRP . . . . . 0.582 ' CD1' ' O ' ' B' ' 86' ' ' ASN . 19.1 m95 -58.62 -42.47 88.31 Favored 'General case' 0 CA--C 1.509 -0.623 0 C-N-CA 120.11 -0.636 . . . . 0.0 110.548 -172.44 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -100.21 -2.33 34.17 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.45 -0.796 . . . . 0.0 111.753 -173.596 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -55.38 120.17 6.71 Favored 'General case' 0 C--O 1.241 0.636 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 179.537 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 69.3 m . . . . . 0 C--O 1.201 -1.473 0 CA-C-O 118.316 -0.849 . . . . 0.0 110.708 -174.188 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.239 0.448 0 N-CA-C 110.245 -1.142 . . . . 0.0 110.245 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 m -67.45 156.91 35.47 Favored 'General case' 0 C--N 1.312 -1.036 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 178.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 56.8 mp0 -57.08 -41.14 78.26 Favored 'General case' 0 C--N 1.318 -0.773 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.231 -178.51 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.865 HD12 HD23 ' B' ' 11' ' ' LEU . 2.3 mm? -61.17 -44.17 97.72 Favored 'General case' 0 CA--C 1.514 -0.423 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 177.49 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 69.1 mt-10 -64.87 -44.18 90.55 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.572 179.032 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.0 m -61.96 -46.48 89.07 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.4 176.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.82 -48.68 77.44 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.059 -0.518 . . . . 0.0 109.851 178.047 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.686 ' HB3' HG21 ' B' ' 82' ' ' THR . 96.8 mmm -64.37 -41.87 96.47 Favored 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 120.481 -0.488 . . . . 0.0 111.038 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 84.9 mt-10 -65.89 -35.39 80.51 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 120.243 -0.583 . . . . 0.0 110.445 175.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 21.4 m -58.02 -43.69 86.85 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 175.583 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 1.014 HD23 HD12 ' B' ' 4' ' ' LEU . 84.1 mt -62.37 -40.03 95.12 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.257 174.231 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.749 HG21 ' OD1' ' B' ' 86' ' ' ASN . 24.3 mm -61.98 -44.36 98.82 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 179.257 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 37.9 m-80 -60.6 -42.82 97.53 Favored 'General case' 0 CA--C 1.508 -0.656 0 CA-C-O 120.925 0.393 . . . . 0.0 110.142 -176.713 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.707 HG11 ' HG2' ' A' ' 40' ' ' GLU . 84.4 t -67.54 -43.39 87.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.708 174.319 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.418 ' CE1' ' HB2' ' A' ' 28' ' ' LEU . 77.4 t80 -57.32 -48.07 79.9 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 -179.788 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.434 ' HD1' ' HA ' ' A' ' 16' ' ' HIS . 3.5 m-70 -66.54 -36.54 82.94 Favored 'General case' 0 CA--C 1.505 -0.767 0 CA-C-N 115.81 -0.632 . . . . 0.0 112.397 176.39 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.09 -44.95 67.97 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 177.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.514 ' CD2' HD13 ' A' ' 36' ' ' LEU . 96.6 m-70 -73.75 -35.39 65.02 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 116.001 -0.545 . . . . 0.0 112.047 174.752 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 34.0 m -51.44 -34.85 36.99 Favored 'General case' 0 N--CA 1.481 1.083 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 175.1 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.66 -33.41 86.61 Favored Glycine 0 CA--C 1.523 0.537 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.359 179.011 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -63.76 -45.66 88.82 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.432 0.634 . . . . 0.0 109.512 -176.031 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.42 ' H ' ' HG3' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -88.06 -48.77 7.49 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.24 -179.415 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.5 29.06 20.29 Favored Glycine 0 CA--C 1.529 0.952 0 CA-C-O 119.483 -0.621 . . . . 0.0 113.791 172.109 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -58.87 -46.03 88.78 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 173.609 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.445 ' NZ ' ' OH ' ' A' ' 26' ' ' TYR . 34.5 pttt 144.16 -53.46 0.01 OUTLIER 'General case' 0 CA--C 1.503 -0.835 0 C-N-CA 127.345 2.258 . . . . 0.0 108.992 175.445 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.577 ' CG ' ' CE3' ' B' ' 90' ' ' TRP . 1.7 p90 -148.91 92.87 2.03 Favored 'General case' 0 N--CA 1.44 -0.948 0 CA-C-N 115.062 -0.972 . . . . 0.0 110.921 167.6 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.531 ' HG2' ' O ' ' A' ' 26' ' ' TYR . 1.0 OUTLIER -164.2 176.87 8.81 Favored 'General case' 0 C--N 1.31 -1.115 0 N-CA-C 105.697 -1.964 . . . . 0.0 105.697 174.373 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.491 HD21 HD23 ' A' ' 36' ' ' LEU . 51.7 tp -129.14 125.86 38.03 Favored 'General case' 0 C--N 1.305 -1.337 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 168.464 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.5 p -84.72 161.6 19.97 Favored 'General case' 0 N--CA 1.428 -1.554 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 178.385 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.576 ' NZ ' ' O ' ' A' ' 65' ' ' GLY . 8.0 mmmm -71.14 -5.5 32.21 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-O 121.17 0.51 . . . . 0.0 109.7 179.59 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 57.7 mttm -60.93 -47.42 86.52 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.134 -175.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.503 ' O ' ' N ' ' A' ' 36' ' ' LEU . 48.0 mm-40 -98.09 -24.41 15.33 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 114.235 -1.348 . . . . 0.0 111.796 -173.01 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.654 HD21 HD23 ' A' ' 77' ' ' LEU . 3.1 tm? -57.43 -46.97 82.97 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -167.733 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.485 ' HG3' ' N ' ' A' ' 35' ' ' GLU . 25.7 pttm -59.57 -45.31 92.22 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.494 0.664 . . . . 0.0 109.487 179.437 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.485 ' N ' ' HG3' ' A' ' 34' ' ' LYS . 82.2 mt-10 -68.68 -43.55 75.9 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 114.978 -1.01 . . . . 0.0 109.355 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.596 HD21 ' CE1' ' A' ' 74' ' ' TYR . 3.8 tp -61.24 -48.93 79.22 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-N 114.764 -1.107 . . . . 0.0 111.864 -178.496 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.816 HD21 HD12 ' A' ' 81' ' ' LEU . 2.0 tm? -62.27 -47.02 86.2 Favored 'General case' 0 C--N 1.31 -1.148 0 C-N-CA 119.756 -0.777 . . . . 0.0 110.721 -176.353 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.536 ' HA ' HD22 ' A' ' 45' ' ' LEU . 15.7 pt20 -66.35 -40.97 90.14 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 120.386 -0.525 . . . . 0.0 110.805 177.197 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.406 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 65.6 m -62.95 -52.1 64.31 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.417 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.707 ' HG2' HG11 ' A' ' 14' ' ' VAL . 0.2 OUTLIER -69.65 -40.38 76.51 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -178.199 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.556 HD22 HD21 ' A' ' 37' ' ' LEU . 10.7 mp -94.45 46.02 1.14 Allowed 'General case' 0 C--N 1.311 -1.079 0 C-N-CA 120.983 -0.287 . . . . 0.0 111.571 -178.103 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.5 m -56.92 -44.09 82.07 Favored 'General case' 0 C--O 1.241 0.606 0 C-N-CA 120.143 -0.623 . . . . 0.0 110.452 -175.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.43 -45.39 54.62 Favored Glycine 0 C--N 1.316 -0.551 0 N-CA-C 111.494 -0.642 . . . . 0.0 111.494 178.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.445 ' HD1' ' SD ' ' A' ' 85' ' ' MET . 39.3 m-85 -69.0 -41.47 77.77 Favored 'General case' 0 CA--C 1.505 -0.751 0 CA-C-O 121.212 0.53 . . . . 0.0 110.796 -178.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.536 HD22 ' HA ' ' A' ' 38' ' ' GLN . 43.0 tp -61.87 -46.64 88.54 Favored 'General case' 0 N--CA 1.436 -1.164 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.969 178.552 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -63.91 -42.41 97.41 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.105 0.479 . . . . 0.0 111.394 178.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.556 ' HB3' ' HG3' ' A' ' 85' ' ' MET . . . -61.7 -44.49 96.83 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.591 -0.731 . . . . 0.0 112.816 -174.005 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.499 ' HG2' ' HB2' ' A' ' 85' ' ' MET . 1.4 pp0? -114.8 41.96 2.26 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 -176.654 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.413 ' HG3' ' O ' ' A' ' 45' ' ' LEU . 8.9 mtpm? -62.2 -40.62 96.68 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.329 0.585 . . . . 0.0 109.627 174.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -65.77 -20.54 66.3 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.157 -0.929 . . . . 0.0 111.613 -176.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.584 ' O ' HG12 ' A' ' 54' ' ' VAL . 3.8 t -77.95 102.94 4.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 178.704 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -47.74 -30.53 3.96 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.552 -176.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.737 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -54.38 -29.08 47.42 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.683 179.333 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.584 HG12 ' O ' ' A' ' 51' ' ' VAL . 9.7 p -58.38 -44.7 89.11 Favored 'Isoleucine or valine' 0 C--O 1.234 0.255 0 C-N-CA 120.162 -0.615 . . . . 0.0 109.405 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.426 ' N ' HG13 ' A' ' 54' ' ' VAL . 21.8 t70 -60.89 -48.55 81.3 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-O 121.648 0.737 . . . . 0.0 109.749 177.623 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 47.6 mttp -64.54 -40.42 95.57 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 114.73 -1.123 . . . . 0.0 111.647 -179.641 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.737 HG23 ' O ' ' A' ' 53' ' ' ALA . 69.6 t -59.52 -45.23 94.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 178.508 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.782 ' SD ' HD12 ' A' ' 37' ' ' LEU . 7.2 mmm -61.01 -43.88 98.23 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.161 176.62 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.439 ' O ' ' HG3' ' A' ' 63' ' ' GLU . 28.4 ttpp -66.55 -50.91 61.6 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.038 -0.983 . . . . 0.0 112.361 -179.377 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -62.27 -45.42 93.35 Favored 'General case' 0 C--N 1.304 -1.388 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.826 -172.128 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.471 ' HG ' ' HB2' ' A' ' 77' ' ' LEU . 3.6 mm? -64.4 -39.55 94.08 Favored 'General case' 0 C--N 1.307 -1.272 0 C-N-CA 120.007 -0.677 . . . . 0.0 109.812 174.769 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.486 ' HA ' ' CE ' ' A' ' 30' ' ' LYS . 34.4 t70 -60.97 -42.02 97.53 Favored 'General case' 0 CA--C 1.51 -0.562 0 C-N-CA 120.438 -0.505 . . . . 0.0 110.776 177.114 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.439 ' HG3' ' O ' ' A' ' 59' ' ' LYS . 48.8 mt-10 -63.73 -40.87 97.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.944 0.402 . . . . 0.0 110.101 179.217 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -62.28 -43.71 98.2 Favored 'General case' 0 CA--C 1.505 -0.765 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.4 173.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.576 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . . . -73.63 49.67 1.69 Allowed Glycine 0 CA--C 1.505 -0.577 0 N-CA-C 110.221 -1.152 . . . . 0.0 110.221 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -63.4 -36.89 85.21 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 -178.252 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -96.96 -64.37 0.91 Allowed Glycine 0 C--N 1.32 -0.333 0 N-CA-C 110.373 -1.091 . . . . 0.0 110.373 176.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -143.0 -179.99 6.69 Favored 'General case' 0 CA--C 1.508 -0.64 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 178.203 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.524 HG11 ' HB2' ' A' ' 33' ' ' LEU . 2.4 p -122.49 128.38 75.36 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.916 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 168.819 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.601 ' CG ' ' N ' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -100.9 175.54 5.58 Favored 'General case' 0 C--N 1.314 -0.948 0 C-N-CA 120.501 -0.48 . . . . 0.0 111.767 -176.734 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.634 ' CD1' HD13 ' A' ' 12' ' ' ILE . 77.9 t80 -60.24 -45.5 93.03 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.029 -177.069 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.466 ' O ' HG22 ' A' ' 75' ' ' VAL . 50.5 mt-30 -60.17 -41.78 93.59 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.712 0.767 . . . . 0.0 109.268 177.836 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.453 ' O ' HG12 ' A' ' 76' ' ' VAL . 88.0 mt-10 -68.08 -41.24 82.19 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 114.902 -1.044 . . . . 0.0 109.577 177.542 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.596 ' CE1' HD21 ' A' ' 36' ' ' LEU . 28.8 t80 -61.25 -47.62 85.18 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.619 179.274 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.641 HG21 ' CB ' ' B' ' 79' ' ' ALA . 19.7 m -63.18 -41.55 93.21 Favored 'Isoleucine or valine' 0 C--O 1.236 0.384 0 C-N-CA 120.344 -0.542 . . . . 0.0 111.681 -177.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.453 HG12 ' O ' ' A' ' 73' ' ' GLU . 11.1 p -64.88 -37.65 80.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 C-N-CA 120.381 -0.528 . . . . 0.0 110.645 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.654 HD23 HD21 ' A' ' 33' ' ' LEU . 44.5 tp -61.02 -48.21 82.87 Favored 'General case' 0 CA--C 1.513 -0.462 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.478 178.817 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.63 HG12 HD23 ' A' ' 37' ' ' LEU . 17.8 m -68.7 -42.56 83.16 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.899 0 C-N-CA 120.048 -0.661 . . . . 0.0 111.066 177.372 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.722 ' CB ' HG21 ' B' ' 75' ' ' VAL . . . -62.61 -39.32 93.41 Favored 'General case' 0 CA--C 1.507 -0.677 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.498 178.462 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.47 -50.26 72.24 Favored 'General case' 0 CA--C 1.508 -0.649 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.816 HD12 HD21 ' A' ' 37' ' ' LEU . 95.4 mt -64.36 -42.07 96.39 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.604 175.326 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.425 ' O ' ' HB2' ' A' ' 86' ' ' ASN . 17.8 m -62.23 -48.53 79.55 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.033 -178.159 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.485 HG23 ' HH2' ' A' ' 90' ' ' TRP . 14.5 p -61.76 -45.77 97.97 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.239 0 C-N-CA 120.12 -0.632 . . . . 0.0 109.992 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.94 -50.77 72.04 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.672 177.406 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.556 ' HG3' ' HB3' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -65.64 -49.52 68.35 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-O 121.19 0.519 . . . . 0.0 111.122 -178.51 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.615 ' HB3' ' CZ2' ' A' ' 90' ' ' TRP . 3.1 t-20 -62.89 -31.2 72.2 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.93 -175.152 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.52 ' HA ' ' CE3' ' A' ' 90' ' ' TRP . 9.9 t-20 -46.45 -35.01 5.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.41 -0.813 . . . . 0.0 110.51 176.643 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -57.08 -44.36 83.03 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.137 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.408 ' O ' ' OG ' ' A' ' 93' ' ' SER . 64.5 m-85 -64.96 -41.87 95.1 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.704 178.828 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.615 ' CZ2' ' HB3' ' A' ' 86' ' ' ASN . 9.4 m0 -64.05 -44.15 93.36 Favored 'General case' 0 CA--C 1.497 -1.081 0 CA-C-O 121.509 0.671 . . . . 0.0 109.392 -178.816 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -69.89 -47.69 61.58 Favored 'General case' 0 C--N 1.302 -1.481 0 CA-C-N 114.283 -1.326 . . . . 0.0 110.776 -176.537 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -100.05 100.19 11.03 Favored 'General case' 0 CA--C 1.506 -0.741 0 C-N-CA 120.595 -0.442 . . . . 0.0 109.941 175.353 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.408 ' OG ' ' O ' ' A' ' 89' ' ' PHE . 3.1 m . . . . . 0 C--O 1.205 -1.276 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.585 -177.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.521 0 N-CA-C 110.465 -1.054 . . . . 0.0 110.465 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' SER . . . . . 0.419 ' OG ' ' O ' ' A' ' 40' ' ' GLU . 6.7 m -66.09 160.0 24.88 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 120.94 0.4 . . . . 0.0 110.595 178.624 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.419 ' O ' ' N ' ' B' ' 7' ' ' ALA . 49.0 mt-10 -57.91 -34.89 70.32 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 175.552 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 1.014 HD12 HD23 ' A' ' 11' ' ' LEU . 1.3 mm? -62.1 -42.34 99.12 Favored 'General case' 0 C--N 1.309 -1.194 0 CA-C-N 115.086 -0.961 . . . . 0.0 108.919 177.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -64.52 -40.57 95.86 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 177.361 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 17.1 m -61.17 -44.81 96.72 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.381 -0.827 . . . . 0.0 108.901 173.104 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.419 ' N ' ' O ' ' B' ' 3' ' ' GLU . . . -58.35 -47.63 83.15 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.004 176.245 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 8' ' ' MET . . . . . 0.563 ' SD ' HD12 ' B' ' 11' ' ' LEU . 94.0 mmm -63.23 -41.42 99.11 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.788 177.601 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 9' ' ' GLU . . . . . 0.439 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 1.2 mm-40 -62.42 -38.84 91.24 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 176.068 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.5 ' O ' HG23 ' B' ' 14' ' ' VAL . 9.5 m -60.31 -43.02 96.71 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 175.738 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.865 HD23 HD12 ' A' ' 4' ' ' LEU . 70.4 mt -61.8 -42.94 99.64 Favored 'General case' 0 C--O 1.236 0.379 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 174.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.532 HG21 ' ND2' ' A' ' 86' ' ' ASN . 21.8 mm -63.58 -45.1 98.55 Favored 'Isoleucine or valine' 0 C--O 1.237 0.439 0 CA-C-O 121.068 0.461 . . . . 0.0 109.916 -179.522 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 13' ' ' ASN . . . . . 0.439 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 54.7 m-80 -62.01 -43.14 99.48 Favored 'General case' 0 CA--C 1.508 -0.664 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.844 -178.449 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.766 HG21 HD21 ' A' ' 4' ' ' LEU . 89.2 t -65.3 -46.46 90.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.236 176.349 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.564 ' CE1' ' HB2' ' B' ' 28' ' ' LEU . 90.3 t80 -58.88 -49.03 79.3 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.845 -178.381 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.457 ' HA ' ' OG ' ' B' ' 19' ' ' SER . 8.2 m-70 -71.35 -30.72 66.5 Favored 'General case' 0 CA--C 1.506 -0.721 0 N-CA-C 113.3 0.852 . . . . 0.0 113.3 178.282 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.03 -41.03 74.35 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 173.485 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.82 ' CD2' HD13 ' B' ' 36' ' ' LEU . 85.8 m-70 -74.62 -38.42 62.56 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.549 -0.75 . . . . 0.0 112.15 174.49 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.457 ' OG ' ' HA ' ' B' ' 16' ' ' HIS . 34.6 m -50.51 -35.9 31.45 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 178.456 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -56.71 -36.26 71.1 Favored Glycine 0 CA--C 1.524 0.631 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.587 -178.176 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.573 ' HD3' ' HA ' ' B' ' 18' ' ' HIS . 0.2 OUTLIER -63.55 -44.62 93.64 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 122.425 -0.456 . . . . 0.0 111.365 179.57 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.547 ' O ' ' N ' ' B' ' 24' ' ' ASP . 0.0 OUTLIER -150.15 -45.55 0.13 Allowed 'General case' 0 C--O 1.236 0.352 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 -175.099 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 23' ' ' GLY . . . . . 0.45 ' N ' ' OE1' ' B' ' 22' ' ' GLU . . . -57.77 59.77 0.01 OUTLIER Glycine 0 CA--C 1.526 0.779 0 CA-C-N 115.581 -0.736 . . . . 0.0 113.813 -169.311 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.547 ' N ' ' O ' ' B' ' 22' ' ' GLU . 6.0 t70 39.74 -156.68 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 122.882 0.473 . . . . 0.0 110.453 176.262 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.524 ' HD2' ' CZ ' ' B' ' 26' ' ' TYR . 2.4 pttt -68.14 -47.86 66.92 Favored 'General case' 0 CA--C 1.508 -0.653 0 C-N-CA 118.417 -1.313 . . . . 0.0 108.902 177.345 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.524 ' CZ ' ' HD2' ' B' ' 25' ' ' LYS . 0.1 OUTLIER -134.66 92.5 2.91 Favored 'General case' 0 N--CA 1.445 -0.675 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.649 174.422 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.491 ' HG2' ' O ' ' B' ' 26' ' ' TYR . 3.2 mmtm -165.64 -174.92 3.28 Favored 'General case' 0 CA--C 1.507 -0.688 0 C-N-CA 124.921 1.288 . . . . 0.0 108.159 171.57 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.571 HD21 HD23 ' B' ' 36' ' ' LEU . 48.4 tp -144.41 135.44 25.18 Favored 'General case' 0 C--N 1.307 -1.246 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 170.685 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -102.62 163.81 12.01 Favored 'General case' 0 C--N 1.309 -1.183 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 178.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.516 ' NZ ' ' O ' ' B' ' 65' ' ' GLY . 0.3 OUTLIER -70.18 -6.91 37.66 Favored 'General case' 0 CA--C 1.509 -0.631 0 C-N-CA 119.49 -0.884 . . . . 0.0 109.449 -178.284 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 42.4 mttm -64.55 -47.87 77.17 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 107.603 -1.258 . . . . 0.0 107.603 -177.532 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.507 ' OE1' ' NZ ' ' B' ' 21' ' ' LYS . 52.6 mm-40 -89.0 -42.45 11.76 Favored 'General case' 0 C--O 1.222 -0.386 0 CA-C-N 114.154 -1.384 . . . . 0.0 111.785 178.819 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.815 HD11 ' CD2' ' B' ' 77' ' ' LEU . 2.6 tm? -52.72 -47.08 67.58 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 120.627 0.251 . . . . 0.0 111.239 -168.42 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.44 ' HG3' ' N ' ' B' ' 35' ' ' GLU . 16.9 pttp -58.85 -44.26 90.98 Favored 'General case' 0 C--N 1.309 -1.172 0 C-N-CA 120.167 -0.613 . . . . 0.0 110.509 178.332 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.44 ' N ' ' HG3' ' B' ' 34' ' ' LYS . 48.1 mm-40 -69.2 -45.89 68.79 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 122.027 0.918 . . . . 0.0 108.784 179.167 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.82 HD13 ' CD2' ' B' ' 18' ' ' HIS . 2.8 tp -60.83 -48.21 82.85 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 114.263 -1.335 . . . . 0.0 111.786 -178.049 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.747 HD11 ' CD1' ' B' ' 81' ' ' LEU . 2.3 tm? -62.62 -47.18 84.87 Favored 'General case' 0 C--N 1.311 -1.099 0 C-N-CA 120.112 -0.635 . . . . 0.0 111.105 -176.836 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.562 ' HB2' ' CD2' ' B' ' 45' ' ' LEU . 3.8 pt20 -66.02 -40.48 91.08 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 119.903 -0.719 . . . . 0.0 110.792 177.245 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.405 ' N ' ' HG3' ' B' ' 38' ' ' GLN . 98.3 m -63.74 -52.36 60.78 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 115.665 -0.698 . . . . 0.0 112.25 -177.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.735 ' HG2' HD12 ' B' ' 36' ' ' LEU . 56.5 mm-40 -73.4 -41.01 63.83 Favored 'General case' 0 C--N 1.332 -0.155 0 C-N-CA 120.159 -0.617 . . . . 0.0 112.261 -175.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 9.6 mp -96.02 35.96 1.36 Allowed 'General case' 0 CA--C 1.51 -0.563 0 CA-C-O 121.149 0.499 . . . . 0.0 109.9 -179.223 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -57.88 -36.59 72.61 Favored 'General case' 0 N--CA 1.442 -0.873 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.146 -176.476 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.88 -46.34 67.71 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 176.715 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.453 ' O ' ' HG3' ' B' ' 48' ' ' GLN . 15.3 m-85 -66.87 -43.91 82.29 Favored 'General case' 0 CA--C 1.496 -1.117 0 CA-C-O 121.26 0.552 . . . . 0.0 110.055 176.762 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.562 ' CD2' ' HB2' ' B' ' 38' ' ' GLN . 14.6 tp -61.32 -50.05 74.53 Favored 'General case' 0 N--CA 1.434 -1.269 0 CA-C-N 115.188 -0.914 . . . . 0.0 111.881 -177.016 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -61.21 -35.42 77.14 Favored 'General case' 0 C--N 1.305 -1.327 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.062 -177.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.22 -39.54 86.97 Favored 'General case' 0 C--N 1.309 -1.178 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.306 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.568 ' HG2' ' SD ' ' B' ' 85' ' ' MET . 1.1 pp0? -125.26 38.75 4.12 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 113.758 1.021 . . . . 0.0 113.758 -176.136 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.413 ' HG3' ' O ' ' B' ' 45' ' ' LEU . 5.7 mtpm? -61.7 -39.04 90.07 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 119.734 -0.787 . . . . 0.0 109.188 175.498 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -68.27 -28.81 67.53 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 114.977 -1.01 . . . . 0.0 112.208 -178.157 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 3.3 t -74.25 154.46 6.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 121.278 0.561 . . . . 0.0 112.349 -171.412 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.407 ' HB3' ' CE ' ' B' ' 56' ' ' LYS . 34.6 m-20 -61.91 -39.03 90.62 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.858 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.487 ' O ' HG23 ' B' ' 57' ' ' VAL . . . -49.03 -50.18 37.56 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 112.497 0.555 . . . . 0.0 112.497 -171.283 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.584 ' HA ' HD21 ' B' ' 81' ' ' LEU . 8.5 p -58.48 -46.81 89.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 C-N-CA 119.685 -0.806 . . . . 0.0 111.305 -175.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.491 ' O ' ' HB2' ' B' ' 59' ' ' LYS . 26.0 t70 -60.39 -49.96 75.51 Favored 'General case' 0 CA--C 1.508 -0.655 0 C-N-CA 119.737 -0.785 . . . . 0.0 110.302 177.445 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 56' ' ' LYS . . . . . 0.407 ' CE ' ' HB3' ' B' ' 52' ' ' ASP . 68.0 mttm -67.17 -42.59 84.01 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-N 114.996 -1.002 . . . . 0.0 112.043 -176.029 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.487 HG23 ' O ' ' B' ' 53' ' ' ALA . 47.1 t -62.78 -46.29 96.72 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.705 0 CA-C-O 121.408 0.623 . . . . 0.0 109.592 -179.147 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 51.8 ttp -60.84 -39.97 91.07 Favored 'General case' 0 N--CA 1.428 -1.56 0 CA-C-N 114.763 -1.108 . . . . 0.0 109.852 173.394 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 59' ' ' LYS . . . . . 0.679 ' NZ ' ' HB2' ' B' ' 59' ' ' LYS . 0.0 OUTLIER -63.23 -46.72 85.64 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.291 -179.46 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -64.13 -44.53 91.91 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.628 -0.714 . . . . 0.0 111.847 -177.321 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.429 ' N ' ' CD2' ' B' ' 61' ' ' LEU . 2.6 mm? -83.35 -10.78 58.26 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-O 120.984 0.421 . . . . 0.0 111.297 -176.643 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.463 ' OD1' ' NZ ' ' B' ' 30' ' ' LYS . 36.5 t70 -63.38 -37.14 86.12 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 120.581 -0.448 . . . . 0.0 111.223 -178.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.01 -48.86 79.96 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 124.043 0.839 . . . . 0.0 110.947 -174.213 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 64' ' ' ASN . . . . . 0.484 ' C ' ' H ' ' B' ' 66' ' ' ASP . 11.5 m-80 -62.76 -41.57 99.28 Favored 'General case' 0 CA--C 1.495 -1.157 0 CA-C-O 121.224 0.535 . . . . 0.0 110.032 175.622 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.516 ' O ' ' NZ ' ' B' ' 30' ' ' LYS . . . -72.26 38.23 0.68 Allowed Glycine 0 N--CA 1.44 -1.086 0 N-CA-C 110.771 -0.932 . . . . 0.0 110.771 177.555 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.484 ' H ' ' C ' ' B' ' 64' ' ' ASN . 10.5 t70 -61.32 -38.25 86.19 Favored 'General case' 0 CA--C 1.506 -0.723 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 177.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -131.96 -42.04 0.19 Allowed Glycine 0 C--N 1.308 -0.976 0 N-CA-C 110.062 -1.215 . . . . 0.0 110.062 176.645 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.461 ' OE1' ' NZ ' ' B' ' 27' ' ' LYS . 28.3 mt-10 -136.11 153.38 51.32 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.713 -0.243 . . . . 0.0 110.579 -178.174 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.438 HG13 ' HB3' ' B' ' 28' ' ' LEU . 2.2 p -126.69 128.34 70.96 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.06 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 170.53 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.546 ' CG ' ' N ' ' B' ' 71' ' ' PHE . 6.0 t70 -93.04 173.07 7.92 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 120.876 0.369 . . . . 0.0 111.77 -174.36 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.546 ' N ' ' CG ' ' B' ' 70' ' ' ASP . 75.8 t80 -59.03 -44.4 91.74 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.06 -178.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.434 ' HG3' HG11 ' A' ' 83' ' ' VAL . 34.2 mt-30 -57.52 -43.15 84.08 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.46 -0.571 . . . . 0.0 109.46 177.475 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -69.01 -39.26 79.4 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.993 177.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 74' ' ' TYR . . . . . 0.555 ' CE1' HD21 ' B' ' 36' ' ' LEU . 42.3 t80 -61.12 -47.8 84.58 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.63 179.289 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.722 HG21 ' CB ' ' A' ' 79' ' ' ALA . 20.4 m -62.78 -42.3 95.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 C-N-CA 120.155 -0.618 . . . . 0.0 111.759 -178.309 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.449 HG23 ' HB3' ' A' ' 72' ' ' GLN . 8.4 p -65.26 -39.39 85.25 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.596 0 C-N-CA 119.916 -0.714 . . . . 0.0 110.588 179.123 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.815 ' CD2' HD11 ' B' ' 33' ' ' LEU . 56.9 tp -61.56 -48.15 82.31 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.116 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.738 HG12 HD23 ' B' ' 37' ' ' LEU . 16.5 m -68.69 -40.34 81.5 Favored 'Isoleucine or valine' 0 C--O 1.243 0.749 0 C-N-CA 120.027 -0.669 . . . . 0.0 110.464 176.691 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.641 ' CB ' HG21 ' A' ' 75' ' ' VAL . . . -61.15 -40.35 93.51 Favored 'General case' 0 CA--C 1.502 -0.882 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.391 178.568 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 80' ' ' ALA . . . . . 0.516 ' O ' HG12 ' B' ' 83' ' ' VAL . . . -57.51 -49.03 77.65 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 -178.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.747 ' CD1' HD11 ' B' ' 37' ' ' LEU . 89.9 mt -63.59 -42.07 98.29 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.89 174.031 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.686 HG21 ' HB3' ' A' ' 8' ' ' MET . 18.8 m -62.16 -49.56 75.34 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.395 -179.276 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.516 HG12 ' O ' ' B' ' 80' ' ' ALA . 1.1 p -62.41 -42.41 95.5 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 179.642 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -58.55 -54.17 50.07 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.341 177.088 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 85' ' ' MET . . . . . 0.568 ' SD ' ' HG2' ' B' ' 48' ' ' GLN . 81.6 mmm -64.5 -42.73 95.66 Favored 'General case' 0 CA--C 1.51 -0.583 0 C-N-CA 120.198 -0.601 . . . . 0.0 111.589 177.639 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.749 ' OD1' HG21 ' A' ' 12' ' ' ILE . 2.4 t-20 -64.16 -39.39 93.9 Favored 'General case' 0 C--N 1.313 -0.983 0 C-N-CA 120.263 -0.575 . . . . 0.0 109.784 179.351 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 87' ' ' ASN . . . . . 0.68 ' HA ' ' CE3' ' B' ' 90' ' ' TRP . 27.7 t30 -60.25 -41.35 93.03 Favored 'General case' 0 CA--C 1.503 -0.86 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.043 174.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.531 ' O ' ' N ' ' B' ' 92' ' ' ASN . 4.4 m-85 -60.29 -42.91 96.46 Favored 'General case' 0 N--CA 1.443 -0.802 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 174.348 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -61.36 -43.41 98.92 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 177.604 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 90' ' ' TRP . . . . . 0.681 ' NE1' ' OD1' ' B' ' 86' ' ' ASN . 5.4 m0 -62.53 -51.95 65.38 Favored 'General case' 0 CA--C 1.5 -0.956 0 C-N-CA 119.116 -1.034 . . . . 0.0 108.862 -178.788 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -74.69 -47.54 31.06 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 114.422 -1.263 . . . . 0.0 112.04 -176.174 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 92' ' ' ASN . . . . . 0.531 ' N ' ' O ' ' B' ' 88' ' ' PHE . 2.1 t30 -95.43 100.6 12.34 Favored 'General case' 0 CA--C 1.498 -1.023 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 175.067 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.304 -1.391 0 CA-C-O 118.291 -0.862 . . . . 0.0 109.809 -175.461 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.143 0 N-CA-C 110.504 -1.038 . . . . 0.0 110.504 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -63.54 173.91 1.5 Allowed 'General case' 0 C--O 1.253 1.244 0 CA-C-O 120.909 0.385 . . . . 0.0 110.855 -178.496 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -63.49 -37.98 89.39 Favored 'General case' 0 CA--C 1.506 -0.744 0 C-N-CA 120.373 -0.531 . . . . 0.0 109.815 175.684 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.839 HD13 ' CD2' ' B' ' 11' ' ' LEU . 0.5 OUTLIER -59.99 -47.1 87.2 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.783 -177.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.4 ' HG2' ' CD2' ' B' ' 44' ' ' PHE . 99.7 mt-10 -63.07 -44.82 94.71 Favored 'General case' 0 N--CA 1.446 -0.67 0 C-N-CA 119.904 -0.719 . . . . 0.0 109.737 178.403 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.3 m -63.5 -46.75 84.66 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 115.113 -0.949 . . . . 0.0 110.94 177.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.79 -47.09 85.95 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.371 0.605 . . . . 0.0 109.693 179.324 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.674 ' HB3' HG21 ' B' ' 82' ' ' THR . 97.1 mmm -63.21 -42.01 99.22 Favored 'General case' 0 N--CA 1.443 -0.811 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.073 179.03 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.452 ' HG2' ' ND2' ' B' ' 86' ' ' ASN . 93.8 mt-10 -65.91 -33.96 77.03 Favored 'General case' 0 CA--C 1.515 -0.39 0 C-N-CA 119.951 -0.699 . . . . 0.0 111.541 175.468 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.709 HG22 ' CD1' ' B' ' 4' ' ' LEU . 18.6 m -56.44 -44.07 80.07 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 176.294 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.964 HD11 ' SD ' ' B' ' 8' ' ' MET . 97.3 mt -64.45 -39.56 94.06 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.615 172.859 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.638 HD13 ' CD1' ' A' ' 71' ' ' PHE . 17.2 mm -62.0 -43.98 98.33 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 -177.303 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 59.5 m-80 -61.33 -41.41 96.97 Favored 'General case' 0 CA--C 1.502 -0.904 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.698 -177.315 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 73.0 t -62.85 -46.05 97.31 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 174.283 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.529 ' CE1' ' HB2' ' A' ' 28' ' ' LEU . 77.0 t80 -59.87 -47.31 86.27 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.195 179.552 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.541 ' NE2' ' CE2' ' B' ' 90' ' ' TRP . 2.1 m-70 -65.96 -42.66 89.64 Favored 'General case' 0 C--O 1.245 0.836 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 178.248 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.23 -46.56 79.5 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 179.112 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.44 ' HA ' ' HG2' ' A' ' 21' ' ' LYS . 92.2 m-70 -74.28 -31.57 62.58 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.071 176.623 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 70.4 m -55.66 -40.99 73.0 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-O 121.451 0.643 . . . . 0.0 109.708 178.262 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.02 -21.05 51.96 Favored Glycine 0 CA--C 1.526 0.726 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.88 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.44 ' HG2' ' HA ' ' A' ' 18' ' ' HIS . 31.1 mmtp -65.92 -44.13 86.08 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -172.29 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.548 ' HG3' ' H ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -89.58 -66.29 0.94 Allowed 'General case' 0 C--O 1.236 0.384 0 N-CA-C 113.32 0.859 . . . . 0.0 113.32 -171.914 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.548 ' H ' ' HG3' ' A' ' 22' ' ' GLU . . . 176.35 -37.06 0.1 OUTLIER Glycine 0 CA--C 1.527 0.786 0 C-N-CA 120.476 -0.869 . . . . 0.0 112.949 -179.597 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -65.02 151.08 46.9 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-N 117.268 0.534 . . . . 0.0 111.578 -176.111 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.495 ' NZ ' ' OE2' ' B' ' 91' ' ' GLU . 25.1 pttt -56.63 -41.39 77.04 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.002 175.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.4 ' CD1' ' O ' ' A' ' 26' ' ' TYR . 14.1 p90 -157.08 93.08 1.31 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.407 0.622 . . . . 0.0 111.633 172.488 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.444 ' HA ' ' HD2' ' A' ' 27' ' ' LYS . 9.7 mmmm -154.03 157.97 39.85 Favored 'General case' 0 C--N 1.305 -1.343 0 N-CA-C 107.137 -1.431 . . . . 0.0 107.137 171.357 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.529 ' HB2' ' CE1' ' A' ' 15' ' ' PHE . 40.1 tp -121.1 120.11 34.37 Favored 'General case' 0 C--N 1.305 -1.343 0 CA-C-O 121.443 0.64 . . . . 0.0 109.624 -177.658 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.5 p -79.42 158.5 27.33 Favored 'General case' 0 N--CA 1.431 -1.386 0 CA-C-N 115.121 -0.945 . . . . 0.0 110.101 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.693 ' NZ ' ' HA ' ' A' ' 62' ' ' ASP . 12.6 mmmm -69.59 -6.13 29.08 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.799 0.809 . . . . 0.0 109.067 174.094 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -62.8 -45.3 93.3 Favored 'General case' 0 N--CA 1.441 -0.902 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 176.324 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.472 ' O ' ' HB3' ' A' ' 36' ' ' LEU . 59.2 mm-40 -97.79 -41.96 7.81 Favored 'General case' 0 N--CA 1.438 -1.066 0 CA-C-N 114.091 -1.413 . . . . 0.0 110.986 -176.382 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.826 HD21 HD23 ' A' ' 77' ' ' LEU . 2.7 tm? -50.46 -50.41 52.51 Favored 'General case' 0 CA--C 1.516 -0.36 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -168.821 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.1 pttp -64.15 -47.12 81.11 Favored 'General case' 0 C--N 1.314 -0.96 0 C-N-CA 118.877 -1.129 . . . . 0.0 111.008 179.144 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 80.0 mt-10 -69.73 -44.61 69.95 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.188 -174.55 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.568 ' O ' HD12 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -63.22 -44.01 96.48 Favored 'General case' 0 C--N 1.311 -1.094 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.838 173.345 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.637 HD23 HG12 ' A' ' 78' ' ' VAL . 2.9 tm? -61.29 -45.99 92.2 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 120.49 -0.484 . . . . 0.0 110.401 -178.187 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.458 ' HA ' HD22 ' A' ' 45' ' ' LEU . 6.0 pt20 -65.79 -44.05 86.91 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 119.605 -0.838 . . . . 0.0 111.272 177.691 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.422 HG22 ' N ' ' A' ' 40' ' ' GLU . 0.7 OUTLIER -64.37 -52.14 59.78 Favored 'General case' 0 N--CA 1.439 -0.989 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -177.39 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.422 ' N ' HG22 ' A' ' 39' ' ' THR . 75.1 mm-40 -71.85 -41.07 68.53 Favored 'General case' 0 C--O 1.238 0.488 0 C-N-CA 119.922 -0.711 . . . . 0.0 111.309 -174.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.548 HD22 HD21 ' A' ' 37' ' ' LEU . 10.9 mp -98.82 28.05 4.55 Favored 'General case' 0 C--O 1.242 0.691 0 CA-C-O 121.133 0.492 . . . . 0.0 110.282 -179.487 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.52 -33.6 60.23 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.498 -176.522 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -66.52 -49.91 52.91 Favored Glycine 0 C--N 1.317 -0.472 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 176.416 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.488 ' HD1' ' SD ' ' A' ' 85' ' ' MET . 40.4 m-85 -67.64 -42.6 82.03 Favored 'General case' 0 CA--C 1.489 -1.378 0 CA-C-O 121.265 0.555 . . . . 0.0 109.998 178.005 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.458 HD22 ' HA ' ' A' ' 38' ' ' GLN . 49.9 tp -61.49 -47.16 86.9 Favored 'General case' 0 N--CA 1.428 -1.554 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.666 -178.613 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -66.34 -40.08 89.63 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.827 0.346 . . . . 0.0 111.304 176.641 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.732 ' HB3' ' SD ' ' A' ' 85' ' ' MET . . . -62.61 -41.25 98.88 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.811 -177.221 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.426 ' HB2' ' CG2' ' A' ' 51' ' ' VAL . 1.6 pp0? -129.24 39.95 3.69 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.681 0.623 . . . . 0.0 112.681 -179.5 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 46.6 tttm -60.22 -46.14 90.77 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.141 0.496 . . . . 0.0 109.663 178.632 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.405 ' C ' ' H ' ' A' ' 52' ' ' ASP . 17.8 t70 -69.8 -20.71 63.45 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.443 -0.799 . . . . 0.0 112.498 -177.671 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.481 ' O ' ' N ' ' A' ' 53' ' ' ALA . 84.1 t -57.74 -2.32 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -172.399 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.424 ' OD1' ' NZ ' ' A' ' 56' ' ' LYS . 34.3 t70 61.53 -40.0 0.13 Allowed 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 175.042 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.484 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -52.18 -35.41 48.82 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 178.081 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.478 ' HA ' HD21 ' A' ' 81' ' ' LEU . 2.4 p -58.64 -42.18 84.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.155 175.504 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.41 ' O ' ' N ' ' A' ' 59' ' ' LYS . 35.0 t70 -61.47 -46.45 89.99 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.324 0.583 . . . . 0.0 109.892 175.242 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.6 ' CD ' ' N ' ' A' ' 56' ' ' LYS . 4.1 mptt -65.68 -40.01 91.91 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.37 -179.611 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.731 HG12 HD12 ' A' ' 77' ' ' LEU . 73.3 t -65.05 -44.31 95.85 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.986 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 176.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 51.2 ttm -61.67 -36.99 82.43 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 114.493 -1.23 . . . . 0.0 110.185 175.496 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.447 ' NZ ' ' OE2' ' A' ' 63' ' ' GLU . 16.4 tptp -58.61 -43.83 89.71 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.254 -177.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -60.31 -41.92 94.49 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 177.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.771 ' HG ' HD22 ' A' ' 77' ' ' LEU . 2.0 mm? -63.06 -41.1 99.39 Favored 'General case' 0 C--O 1.243 0.749 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.799 175.072 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.693 ' HA ' ' NZ ' ' A' ' 30' ' ' LYS . 50.9 m-20 -66.53 -41.08 89.29 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 120.547 -0.461 . . . . 0.0 111.86 175.38 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.447 ' OE2' ' NZ ' ' A' ' 59' ' ' LYS . 91.5 mt-10 -65.67 -46.35 79.43 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 177.466 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.49 ' O ' ' N ' ' A' ' 66' ' ' ASP . 38.5 t-20 -64.95 -42.39 94.65 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.698 178.314 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 61' ' ' LEU . . . -62.03 42.3 0.06 OUTLIER Glycine 0 N--CA 1.465 0.583 0 CA-C-N 115.735 -0.666 . . . . 0.0 113.059 -173.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.49 ' N ' ' O ' ' A' ' 64' ' ' ASN . 38.7 t70 -63.67 -37.5 87.57 Favored 'General case' 0 CA--C 1.507 -0.676 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 174.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.406 ' O ' ' HG3' ' A' ' 68' ' ' GLU . . . -120.22 -68.67 0.29 Allowed Glycine 0 C--N 1.317 -0.479 0 N-CA-C 110.476 -1.05 . . . . 0.0 110.476 177.796 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.437 ' HB2' ' HE2' ' A' ' 27' ' ' LYS . 0.6 OUTLIER -146.84 171.81 14.62 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.494 HG13 ' O ' ' A' ' 28' ' ' LEU . 0.4 OUTLIER -113.42 132.24 62.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 170.003 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.412 ' O ' ' N ' ' A' ' 74' ' ' TYR . 0.0 OUTLIER -92.31 -178.86 5.06 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.439 -0.504 . . . . 0.0 110.302 -177.624 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.638 ' CD1' HD13 ' A' ' 12' ' ' ILE . 75.7 t80 -60.42 -45.14 94.69 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.899 0.38 . . . . 0.0 110.243 179.382 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -59.52 -42.1 91.46 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.457 ' O ' HG12 ' A' ' 76' ' ' VAL . 96.3 mt-10 -70.17 -41.43 73.8 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.979 176.062 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.412 ' N ' ' O ' ' A' ' 70' ' ' ASP . 43.0 t80 -61.37 -47.68 84.71 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 177.597 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.946 HG21 ' CB ' ' B' ' 79' ' ' ALA . 19.6 m -62.43 -42.43 95.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 C-N-CA 120.075 -0.65 . . . . 0.0 112.217 -177.763 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.457 HG12 ' O ' ' A' ' 73' ' ' GLU . 12.2 p -64.26 -37.58 80.29 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.713 0 C-N-CA 120.252 -0.579 . . . . 0.0 110.355 -178.309 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.826 HD23 HD21 ' A' ' 33' ' ' LEU . 54.2 tp -60.73 -50.25 74.23 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.283 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.637 HG12 HD23 ' A' ' 37' ' ' LEU . 16.8 m -69.26 -42.15 81.34 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.654 177.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.736 ' CB ' HG21 ' B' ' 75' ' ' VAL . . . -62.44 -44.88 95.37 Favored 'General case' 0 CA--C 1.511 -0.534 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.19 -179.5 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.68 -42.13 92.22 Favored 'General case' 0 CA--C 1.509 -0.62 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.478 HD21 ' HA ' ' A' ' 54' ' ' VAL . 95.4 mt -64.33 -41.62 96.71 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.301 174.662 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.484 ' O ' ' HB2' ' A' ' 86' ' ' ASN . 19.4 m -61.61 -51.31 69.04 Favored 'General case' 0 N--CA 1.445 -0.705 0 C-N-CA 120.341 -0.544 . . . . 0.0 109.833 -179.004 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.7 HG11 ' HG3' ' B' ' 72' ' ' GLN . 5.7 p -66.02 -36.84 78.44 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.218 0 C-N-CA 120.77 -0.372 . . . . 0.0 111.029 176.464 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.22 -50.7 68.74 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 120.426 -0.51 . . . . 0.0 110.4 178.322 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.732 ' SD ' ' HB3' ' A' ' 47' ' ' ALA . 23.1 ttp -74.95 -45.94 38.89 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 119.805 -0.758 . . . . 0.0 110.522 178.116 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.586 ' HB3' ' CZ2' ' A' ' 90' ' ' TRP . 0.5 OUTLIER -59.49 -30.06 68.28 Favored 'General case' 0 CA--C 1.507 -0.702 0 C-N-CA 120.59 -0.444 . . . . 0.0 109.963 -177.907 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -54.24 -39.07 66.45 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.016 173.759 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -59.56 -45.08 92.87 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 174.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -61.2 -42.94 99.47 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 119.708 -0.797 . . . . 0.0 109.596 175.74 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.774 ' HZ2' HD12 ' B' ' 12' ' ' ILE . 15.2 m0 -67.96 -47.92 67.27 Favored 'General case' 0 CA--C 1.498 -1.043 0 CA-C-O 121.064 0.459 . . . . 0.0 110.384 -177.659 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -84.8 6.31 25.06 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.311 -179.488 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -56.16 105.62 0.21 Allowed 'General case' 0 CA--C 1.509 -0.614 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 179.541 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 58.6 m . . . . . 0 C--O 1.203 -1.377 0 CA-C-O 118.469 -0.777 . . . . 0.0 109.491 -175.548 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.359 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 40.2 m -87.4 166.57 14.73 Favored 'General case' 0 C--N 1.317 -0.812 0 O-C-N 123.706 0.298 . . . . 0.0 111.2 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.557 ' H ' ' CD ' ' B' ' 3' ' ' GLU . 1.4 mp0 -50.08 -20.56 1.0 Allowed 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.72 178.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.709 ' CD1' HG22 ' A' ' 10' ' ' THR . 1.3 mm? -59.89 -40.58 89.21 Favored 'General case' 0 N--CA 1.436 -1.131 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 178.293 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.434 ' HG2' ' HD2' ' A' ' 44' ' ' PHE . 94.2 mt-10 -60.64 -43.57 97.39 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 120.169 -0.613 . . . . 0.0 109.639 176.514 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 8.2 m -61.72 -45.33 94.42 Favored 'General case' 0 N--CA 1.445 -0.724 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 175.267 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.26 -44.01 97.94 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.559 177.73 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' MET . . . . . 0.964 ' SD ' HD11 ' A' ' 11' ' ' LEU . 96.5 mmm -63.6 -42.61 98.23 Favored 'General case' 0 CA--C 1.514 -0.414 0 C-N-CA 120.467 -0.493 . . . . 0.0 110.477 177.452 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -68.14 -27.4 66.4 Favored 'General case' 0 N--CA 1.442 -0.852 0 C-N-CA 119.098 -1.041 . . . . 0.0 111.837 175.335 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 10.4 m -57.81 -43.03 85.45 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 174.186 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.839 ' CD2' HD13 ' A' ' 4' ' ' LEU . 96.9 mt -63.13 -40.35 97.33 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 174.29 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.774 HD12 ' HZ2' ' A' ' 90' ' ' TRP . 22.4 mm -63.1 -43.81 99.15 Favored 'Isoleucine or valine' 0 C--O 1.239 0.534 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 -179.495 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 47.5 m-80 -61.66 -44.63 96.59 Favored 'General case' 0 CA--C 1.506 -0.742 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.625 -175.579 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.456 HG11 HD21 ' A' ' 4' ' ' LEU . 26.8 m -66.26 -39.37 84.07 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.047 0 CA-C-O 121.192 0.52 . . . . 0.0 109.926 175.437 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -59.04 -48.79 80.3 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.172 178.54 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 -64.63 -40.71 95.96 Favored 'General case' 0 CA--C 1.499 -1.006 0 N-CA-C 112.011 0.375 . . . . 0.0 112.011 175.255 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.19 -49.82 65.91 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 179.537 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.571 ' CD2' HD22 ' B' ' 36' ' ' LEU . 96.8 m-70 -71.67 -36.28 70.59 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.428 -0.806 . . . . 0.0 112.348 177.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.511 ' HA ' ' O ' ' B' ' 27' ' ' LYS . 67.6 m -52.76 -37.64 59.78 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-O 121.284 0.564 . . . . 0.0 110.457 178.195 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.77 -25.99 59.67 Favored Glycine 0 N--CA 1.443 -0.852 0 CA-C-N 115.538 -0.756 . . . . 0.0 111.233 179.175 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.453 ' HG3' ' CD ' ' B' ' 32' ' ' GLU . 34.2 mmtp -66.63 -47.17 73.44 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-O 120.701 0.286 . . . . 0.0 110.49 -176.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.458 ' OE1' ' N ' ' B' ' 29' ' ' SER . 3.6 pt-20 -88.65 -37.91 15.22 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.639 178.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.91 21.97 64.72 Favored Glycine 0 CA--C 1.529 0.93 0 CA-C-N 116.101 -0.499 . . . . 0.0 113.428 173.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 39.2 t70 -58.96 -47.76 83.95 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 177.14 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.537 ' CG ' ' H ' ' B' ' 26' ' ' TYR . 0.0 OUTLIER 160.59 -67.46 0.0 OUTLIER 'General case' 0 CA--C 1.508 -0.67 0 C-N-CA 125.191 1.396 . . . . 0.0 109.282 172.499 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.537 ' H ' ' CG ' ' B' ' 25' ' ' LYS . 0.3 OUTLIER -132.05 94.49 3.48 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 166.179 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.511 ' O ' ' HA ' ' B' ' 19' ' ' SER . 6.3 mmtp -153.49 158.39 41.27 Favored 'General case' 0 CA--C 1.467 -2.241 0 CA-C-N 115.1 -0.954 . . . . 0.0 110.363 -175.608 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.609 ' O ' HG13 ' B' ' 69' ' ' VAL . 46.2 tp -125.47 117.31 23.36 Favored 'General case' 0 N--CA 1.406 -2.638 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 166.705 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.458 ' N ' ' OE1' ' B' ' 22' ' ' GLU . 11.5 p -82.31 164.58 21.02 Favored 'General case' 0 C--N 1.297 -1.687 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.41 -178.082 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.685 ' NZ ' ' HA ' ' B' ' 62' ' ' ASP . 10.5 mmmm -71.62 -5.94 37.21 Favored 'General case' 0 C--N 1.314 -0.937 0 C-N-CA 120.075 -0.65 . . . . 0.0 110.171 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.407 ' H ' ' HG3' ' B' ' 31' ' ' LYS . 33.6 mttm -65.51 -70.77 0.22 Allowed 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 176.456 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.465 ' HB3' ' ND1' ' B' ' 18' ' ' HIS . 46.9 mm-40 -69.7 -35.82 75.41 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.612 -1.176 . . . . 0.0 111.633 -178.004 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.751 HD21 HD23 ' B' ' 77' ' ' LEU . 1.5 tm? -57.07 -46.26 82.62 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.948 -170.149 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.656 ' HZ3' ' HB2' ' B' ' 34' ' ' LYS . 14.7 mtmm -64.87 -46.7 80.72 Favored 'General case' 0 C--N 1.312 -1.024 0 C-N-CA 119.878 -0.729 . . . . 0.0 109.737 -178.758 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -69.47 -44.78 70.5 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.946 -178.037 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.571 HD22 ' CD2' ' B' ' 18' ' ' HIS . 0.1 OUTLIER -64.16 -43.63 94.57 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.781 -0.367 . . . . 0.0 111.232 179.109 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.673 HD21 HD12 ' B' ' 81' ' ' LEU . 2.5 tm? -62.22 -47.18 85.55 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.736 -177.578 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -65.56 -41.44 92.96 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 119.676 -0.81 . . . . 0.0 109.959 176.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 98.9 m -65.0 -53.71 41.81 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.612 -178.058 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.51 ' HB3' ' HB2' ' A' ' 4' ' ' LEU . 79.2 mm-40 -69.41 -38.64 78.03 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 111.847 0.314 . . . . 0.0 111.847 -177.582 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.519 HD22 HD21 ' B' ' 37' ' ' LEU . 10.9 mp -97.04 36.88 1.37 Allowed 'General case' 0 C--N 1.315 -0.895 0 C-N-CA 120.866 -0.334 . . . . 0.0 110.297 179.653 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 58.2 m -55.98 -44.41 78.51 Favored 'General case' 0 C--O 1.24 0.6 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.286 -176.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -66.68 -46.77 72.89 Favored Glycine 0 C--O 1.242 0.637 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 177.36 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.526 ' CE2' HG23 ' B' ' 82' ' ' THR . 5.6 m-30 -62.74 -43.51 98.62 Favored 'General case' 0 CA--C 1.51 -0.564 0 CA-C-O 121.046 0.45 . . . . 0.0 110.05 177.041 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.546 ' O ' HD12 ' B' ' 45' ' ' LEU . 2.9 tp -60.03 -47.21 86.77 Favored 'General case' 0 C--N 1.309 -1.165 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.354 179.389 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.514 ' O ' ' NZ ' ' B' ' 49' ' ' LYS . 32.1 t70 -65.62 -39.19 91.22 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.932 178.757 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 47' ' ' ALA . . . . . 0.585 ' CB ' ' SD ' ' B' ' 85' ' ' MET . . . -62.63 -38.68 91.21 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 -173.513 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.433 ' OE1' ' HB ' ' B' ' 54' ' ' VAL . 1.0 OUTLIER -124.29 43.87 2.89 Favored 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 120.896 -0.322 . . . . 0.0 111.714 -175.072 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.514 ' NZ ' ' O ' ' B' ' 46' ' ' ASP . 39.1 mtmm -62.79 -40.09 96.27 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 176.189 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -63.56 -30.02 71.2 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.42 -1.263 . . . . 0.0 113.262 -178.113 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 51' ' ' VAL . . . . . 0.581 ' C ' ' H ' ' B' ' 53' ' ' ALA . 12.2 t -62.27 -24.01 33.66 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 C-N-CA 120.399 -0.521 . . . . 0.0 110.742 -174.34 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.52 ' OD2' ' NZ ' ' B' ' 56' ' ' LYS . 0.3 OUTLIER 69.16 -17.65 0.21 Allowed 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 121.127 0.489 . . . . 0.0 110.036 -177.385 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.666 ' O ' HG23 ' B' ' 57' ' ' VAL . . . -61.34 -37.62 83.98 Favored 'General case' 0 C--O 1.21 -1.0 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 177.476 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.643 ' HA ' HD21 ' B' ' 81' ' ' LEU . 7.2 p -59.34 -44.42 92.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 178.078 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.444 ' O ' ' HG2' ' B' ' 58' ' ' MET . 30.6 t70 -60.59 -49.67 76.6 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.977 0.894 . . . . 0.0 109.575 176.117 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 56' ' ' LYS . . . . . 0.52 ' NZ ' ' OD2' ' B' ' 52' ' ' ASP . 33.5 mttp -65.98 -40.35 91.15 Favored 'General case' 0 C--N 1.303 -1.426 0 CA-C-N 114.839 -1.073 . . . . 0.0 112.241 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.88 HG12 HD12 ' B' ' 77' ' ' LEU . 75.4 t -63.6 -47.45 91.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 179.171 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 58' ' ' MET . . . . . 0.444 ' HG2' ' O ' ' B' ' 55' ' ' ASP . 26.4 ptt? -62.63 -39.47 93.91 Favored 'General case' 0 CA--C 1.513 -0.472 0 C-N-CA 120.064 -0.654 . . . . 0.0 109.353 175.514 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 59' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' B' ' 63' ' ' GLU . 63.9 tttp -58.77 -46.36 87.68 Favored 'General case' 0 N--CA 1.441 -0.91 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.261 171.647 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 60' ' ' GLU . . . . . 0.486 ' N ' ' O ' ' B' ' 56' ' ' LYS . 3.0 mm-40 -53.13 -41.33 64.96 Favored 'General case' 0 C--N 1.314 -0.966 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 -179.536 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.602 HD23 HD13 ' B' ' 77' ' ' LEU . 3.3 mm? -64.45 -38.06 89.69 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.586 172.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.685 ' HA ' ' NZ ' ' B' ' 30' ' ' LYS . 50.5 m-20 -67.31 -35.33 79.23 Favored 'General case' 0 C--O 1.242 0.706 0 O-C-N 121.596 -0.69 . . . . 0.0 111.287 174.439 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 63' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' B' ' 59' ' ' LYS . 67.2 mm-40 -62.41 -58.67 6.8 Favored 'General case' 0 N--CA 1.448 -0.545 0 O-C-N 123.568 0.542 . . . . 0.0 110.259 175.307 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 64' ' ' ASN . . . . . 0.446 ' C ' ' H ' ' B' ' 66' ' ' ASP . 6.0 t-20 -74.18 -47.81 33.23 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 121.343 0.592 . . . . 0.0 111.419 179.436 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.579 ' N ' ' O ' ' B' ' 61' ' ' LEU . . . -73.99 43.78 1.24 Allowed Glycine 0 CA--C 1.494 -1.266 0 N-CA-C 110.038 -1.225 . . . . 0.0 110.038 -178.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.446 ' H ' ' C ' ' B' ' 64' ' ' ASN . 6.4 t70 -62.66 -36.03 81.56 Favored 'General case' 0 CA--C 1.509 -0.633 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 178.647 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -104.71 -72.77 0.88 Allowed Glycine 0 N--CA 1.449 -0.442 0 CA-C-N 114.52 -1.218 . . . . 0.0 110.891 179.396 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.45 ' OE1' ' NZ ' ' B' ' 27' ' ' LYS . 94.4 mt-10 -143.08 156.09 44.74 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 123.216 0.607 . . . . 0.0 111.218 -178.06 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.92 HG23 ' CB ' ' B' ' 73' ' ' GLU . 0.8 OUTLIER -123.62 129.04 74.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.447 176.109 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -92.7 -170.03 2.35 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-O 121.229 0.537 . . . . 0.0 110.141 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.644 ' O ' HG22 ' B' ' 75' ' ' VAL . 68.9 t80 -61.29 -45.22 95.39 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.219 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.7 ' HG3' HG11 ' A' ' 83' ' ' VAL . 33.9 mt-30 -61.34 -40.73 95.32 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.573 179.163 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.92 ' CB ' HG23 ' B' ' 69' ' ' VAL . 62.4 mm-40 -70.6 -39.96 73.5 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 121.166 0.508 . . . . 0.0 110.447 173.731 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 74' ' ' TYR . . . . . 0.522 ' OH ' HD11 ' A' ' 4' ' ' LEU . 26.6 t80 -61.52 -48.06 82.75 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.895 -0.593 . . . . 0.0 112.592 179.356 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.736 HG21 ' CB ' ' A' ' 79' ' ' ALA . 16.1 m -63.96 -41.21 91.77 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 N-CA-C 112.989 0.737 . . . . 0.0 112.989 -177.141 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.446 HG12 ' O ' ' B' ' 73' ' ' GLU . 12.9 p -62.86 -34.75 67.73 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.425 0 C-N-CA 120.078 -0.649 . . . . 0.0 110.966 -179.025 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.88 HD12 HG12 ' B' ' 57' ' ' VAL . 55.1 tp -61.73 -48.61 79.94 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.088 178.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.654 HG12 HD23 ' B' ' 37' ' ' LEU . 28.4 m -70.59 -39.72 76.35 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 C-N-CA 120.299 -0.561 . . . . 0.0 110.661 177.266 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.946 ' CB ' HG21 ' A' ' 75' ' ' VAL . . . -62.3 -45.83 91.49 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.408 179.409 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.88 -44.25 91.07 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.673 HD12 HD21 ' B' ' 37' ' ' LEU . 94.8 mt -64.5 -41.95 96.12 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.351 175.267 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.674 HG21 ' HB3' ' A' ' 8' ' ' MET . 21.6 m -62.28 -50.31 72.2 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.886 -179.156 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.497 HG12 ' O ' ' B' ' 79' ' ' ALA . 7.4 p -62.35 -45.24 99.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 C-N-CA 119.663 -0.815 . . . . 0.0 110.296 179.219 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -58.08 -52.46 65.43 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.52 177.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 85' ' ' MET . . . . . 0.585 ' SD ' ' CB ' ' B' ' 47' ' ' ALA . 0.0 OUTLIER -68.46 -47.57 66.8 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.149 -0.621 . . . . 0.0 112.259 179.445 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.595 ' OD1' ' NE1' ' B' ' 90' ' ' TRP . 1.6 t-20 -64.72 -34.39 78.21 Favored 'General case' 0 C--N 1.317 -0.836 0 C-N-CA 119.644 -0.822 . . . . 0.0 110.226 -175.866 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 87' ' ' ASN . . . . . 0.626 ' HA ' ' CE3' ' B' ' 90' ' ' TRP . 0.2 OUTLIER -56.36 -38.06 70.9 Favored 'General case' 0 C--O 1.239 0.518 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 176.284 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.528 ' O ' ' N ' ' B' ' 92' ' ' ASN . 90.2 t80 -58.54 -44.71 89.69 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.891 176.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 40.7 m-85 -59.29 -41.03 88.0 Favored 'General case' 0 C--N 1.318 -0.802 0 C-N-CA 119.647 -0.821 . . . . 0.0 111.177 177.316 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 90' ' ' TRP . . . . . 0.626 ' CE3' ' HA ' ' B' ' 87' ' ' ASN . 3.4 m0 -67.17 -45.67 76.31 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.884 0.373 . . . . 0.0 110.081 -179.126 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 91' ' ' GLU . . . . . 0.495 ' OE2' ' NZ ' ' A' ' 25' ' ' LYS . 61.8 mt-10 -107.16 6.65 28.96 Favored 'General case' 0 C--O 1.241 0.607 0 N-CA-C 114.706 1.373 . . . . 0.0 114.706 -171.461 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 92' ' ' ASN . . . . . 0.528 ' N ' ' O ' ' B' ' 88' ' ' PHE . 35.3 t30 -62.75 116.23 5.03 Favored 'General case' 0 C--O 1.245 0.841 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 177.444 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 59.6 m . . . . . 0 C--O 1.203 -1.382 0 CA-C-O 118.17 -0.919 . . . . 0.0 109.159 -176.488 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.751 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.27 177.48 0.83 Allowed 'General case' 0 C--O 1.244 0.802 0 CA-C-O 120.743 0.306 . . . . 0.0 111.128 -179.474 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 7' ' ' ALA . 42.5 mp0 -57.89 -40.9 81.38 Favored 'General case' 0 CA--C 1.508 -0.67 0 C-N-CA 120.639 -0.424 . . . . 0.0 110.364 177.282 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.938 ' CD1' HD23 ' B' ' 11' ' ' LEU . 0.6 OUTLIER -61.2 -42.18 98.14 Favored 'General case' 0 C--N 1.312 -1.044 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 -179.745 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.481 ' CG ' ' HA ' ' B' ' 41' ' ' LEU . 46.6 mt-10 -64.21 -42.33 96.66 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 175.526 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.3 m -61.58 -44.89 96.18 Favored 'General case' 0 C--O 1.244 0.803 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.576 177.196 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 3' ' ' GLU . . . -58.32 -47.43 83.74 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.718 178.408 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.525 ' HE1' ' HB2' ' B' ' 79' ' ' ALA . 93.7 mmm -65.07 -41.32 95.19 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.392 179.252 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -61.88 -35.72 79.15 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.941 176.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 16.5 m -59.97 -43.68 94.92 Favored 'General case' 0 C--N 1.314 -0.956 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 177.122 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.725 HD11 ' SD ' ' B' ' 8' ' ' MET . 89.1 mt -63.21 -39.55 94.95 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.536 175.849 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.453 HD13 ' CE1' ' A' ' 71' ' ' PHE . 22.1 mm -61.97 -43.38 97.48 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 -179.244 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 70.9 m-20 -60.28 -42.07 94.67 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 -179.186 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.537 HG11 HD11 ' A' ' 36' ' ' LEU . 85.7 t -63.09 -45.49 98.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.678 176.874 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -58.83 -46.04 88.59 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.646 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.524 ' NE2' ' CD1' ' B' ' 90' ' ' TRP . 9.6 m-70 -56.99 -46.36 82.3 Favored 'General case' 0 CA--C 1.511 -0.555 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.354 177.565 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.522 ' O ' ' HG2' ' A' ' 21' ' ' LYS . . . -57.29 -51.91 67.47 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.137 -175.048 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.558 ' CD2' HD13 ' A' ' 36' ' ' LEU . 92.0 m-70 -68.42 -37.16 80.05 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.854 -179.471 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 40.2 m -53.75 -41.84 67.54 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 178.007 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.99 -39.77 96.68 Favored Glycine 0 N--CA 1.445 -0.747 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.945 176.231 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.522 ' HG2' ' O ' ' A' ' 17' ' ' ALA . 33.3 mmtm -64.3 -45.24 88.82 Favored 'General case' 0 CA--C 1.507 -0.674 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.416 -175.831 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.06 -41.21 67.68 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 120.145 -0.622 . . . . 0.0 111.623 -179.104 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 136.22 -8.63 4.1 Favored Glycine 0 CA--C 1.523 0.592 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.961 175.463 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -80.61 149.84 29.72 Favored 'General case' 0 CA--C 1.508 -0.659 0 CA-C-N 117.501 0.651 . . . . 0.0 111.06 -178.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.512 ' HD2' ' CE2' ' A' ' 26' ' ' TYR . 47.3 pttt -64.66 -39.55 93.88 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 172.284 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.512 ' CE2' ' HD2' ' A' ' 25' ' ' LYS . 5.3 p90 -162.64 92.25 0.78 Allowed 'General case' 0 C--O 1.238 0.471 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.21 170.193 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.436 ' HD2' ' HA ' ' A' ' 27' ' ' LYS . 10.2 mmmm -163.66 162.95 24.43 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 106.076 -1.824 . . . . 0.0 106.076 170.724 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.472 ' HB3' ' O ' ' A' ' 69' ' ' VAL . 44.4 tp -124.04 129.15 50.42 Favored 'General case' 0 C--N 1.308 -1.222 0 C-N-CA 119.988 -0.685 . . . . 0.0 110.183 178.086 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.7 p -81.47 163.72 22.54 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.97 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.475 ' NZ ' ' HA ' ' A' ' 62' ' ' ASP . 7.4 mmmm -75.85 -4.2 39.43 Favored 'General case' 0 C--N 1.314 -0.953 0 C-N-CA 120.117 -0.633 . . . . 0.0 109.883 176.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 39.3 mttm -74.62 -63.23 1.29 Allowed 'General case' 0 CA--C 1.52 -0.207 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 177.089 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 36' ' ' LEU . 75.4 mm-40 -67.11 -37.57 84.13 Favored 'General case' 0 N--CA 1.442 -0.834 0 CA-C-N 114.033 -1.44 . . . . 0.0 111.751 -177.12 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.744 HD11 ' CD2' ' A' ' 77' ' ' LEU . 2.7 tm? -58.68 -43.34 89.93 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.499 -0.48 . . . . 0.0 110.154 -175.388 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.506 ' NZ ' ' OD2' ' A' ' 62' ' ' ASP . 62.7 mttp -62.7 -46.85 86.21 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 119.874 -0.73 . . . . 0.0 109.691 179.064 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 66.4 tt0 -65.43 -44.38 87.52 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.624 178.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.692 HD21 ' CE1' ' A' ' 74' ' ' TYR . 17.2 tp -60.83 -48.79 80.22 Favored 'General case' 0 C--N 1.298 -1.655 0 CA-C-N 114.808 -1.087 . . . . 0.0 111.903 178.069 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.658 HD23 HG12 ' A' ' 78' ' ' VAL . 2.7 tm? -63.58 -45.65 89.42 Favored 'General case' 0 C--N 1.306 -1.283 0 C-N-CA 120.452 -0.499 . . . . 0.0 110.692 -177.122 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -68.53 -41.42 79.9 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.159 -0.616 . . . . 0.0 110.889 176.333 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 73.9 m -61.9 -51.12 69.47 Favored 'General case' 0 N--CA 1.442 -0.841 0 CA-C-N 115.902 -0.59 . . . . 0.0 112.024 -178.289 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -83.92 -35.77 23.81 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 113.116 0.784 . . . . 0.0 113.116 -174.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.41 ' HB2' HD22 ' A' ' 37' ' ' LEU . 10.4 mp -105.65 37.7 2.17 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-O 120.579 0.228 . . . . 0.0 111.279 -178.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.4 m -56.1 -39.22 71.82 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 -178.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.695 ' H ' ' H1 ' ' B' ' 1' ' ' GLY . . . -62.05 -50.21 67.69 Favored Glycine 0 CA--C 1.52 0.389 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.747 178.042 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.472 ' CZ ' HG23 ' A' ' 82' ' ' THR . 33.1 m-85 -67.88 -42.24 81.52 Favored 'General case' 0 CA--C 1.499 -0.981 0 CA-C-O 121.457 0.646 . . . . 0.0 109.961 177.472 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 49.1 tp -63.06 -48.34 79.08 Favored 'General case' 0 N--CA 1.432 -1.332 0 CA-C-N 115.127 -0.942 . . . . 0.0 111.593 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -70.86 -41.31 71.57 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -178.264 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.948 ' HB3' ' SD ' ' A' ' 85' ' ' MET . . . -56.08 -44.56 79.1 Favored 'General case' 0 CA--C 1.509 -0.607 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.364 -175.624 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.463 ' CB ' HG21 ' A' ' 51' ' ' VAL . 1.7 pp0? -120.09 52.22 1.15 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.236 0.541 . . . . 0.0 110.295 176.206 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.2 ttmm -59.65 -41.63 90.98 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.202 -175.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.415 ' C ' ' H ' ' A' ' 52' ' ' ASP . 39.0 t70 -111.57 17.21 20.21 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 -173.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.583 HG12 ' O ' ' A' ' 51' ' ' VAL . 35.3 t -74.42 21.37 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 N-CA-C 111.79 0.293 . . . . 0.0 111.79 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.529 ' OD1' ' NZ ' ' A' ' 56' ' ' LYS . 40.9 t0 59.39 -47.67 0.07 Allowed 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 112.788 0.662 . . . . 0.0 112.788 174.801 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.542 ' N ' ' O ' ' A' ' 51' ' ' VAL . . . -58.48 -36.54 73.9 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.808 0.337 . . . . 0.0 110.428 -178.559 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.433 HG13 ' N ' ' A' ' 55' ' ' ASP . 7.3 p -58.8 -47.72 88.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.361 179.525 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.593 ' O ' ' N ' ' A' ' 59' ' ' LYS . 25.4 t70 -59.44 -48.83 80.14 Favored 'General case' 0 CA--C 1.495 -1.151 0 CA-C-O 121.132 0.491 . . . . 0.0 109.684 176.284 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.529 ' NZ ' ' OD1' ' A' ' 52' ' ' ASP . 37.0 mttp -62.68 -41.77 99.28 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.822 -176.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.554 HG12 HD12 ' A' ' 77' ' ' LEU . 98.5 t -62.1 -45.68 98.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 174.253 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 14.4 mmm -61.92 -40.06 94.17 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-O 121.564 0.697 . . . . 0.0 109.251 175.735 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.593 ' N ' ' O ' ' A' ' 55' ' ' ASP . 0.1 OUTLIER -61.07 -46.91 88.76 Favored 'General case' 0 N--CA 1.431 -1.408 0 CA-C-N 114.706 -1.134 . . . . 0.0 109.306 -176.498 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -62.04 -40.01 94.27 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.166 179.514 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.725 ' HG ' HD13 ' A' ' 77' ' ' LEU . 3.3 mm? -61.7 -39.82 92.83 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.293 -0.563 . . . . 0.0 110.176 176.357 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.506 ' OD2' ' NZ ' ' A' ' 34' ' ' LYS 0.416 5.0 m-20 -85.23 -11.05 55.78 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 115.446 1.647 . . . . 0.0 115.446 176.604 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.49 ' HG3' ' O ' ' A' ' 59' ' ' LYS . 97.7 mt-10 -64.36 -36.64 84.81 Favored 'General case' 0 CA--C 1.501 -0.934 0 N-CA-C 105.459 -2.052 . . . . 0.0 105.459 163.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -79.52 37.52 0.34 Allowed 'General case' 0 N--CA 1.441 -0.914 0 CA-C-N 113.541 -1.663 . . . . 0.0 108.769 167.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.466 ' H ' ' C ' ' A' ' 63' ' ' GLU . . . -91.95 18.37 53.72 Favored Glycine 0 CA--C 1.506 -0.527 0 N-CA-C 108.362 -1.895 . . . . 0.0 108.362 178.281 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -60.22 -43.24 96.17 Favored 'General case' 0 N--CA 1.436 -1.16 0 CA-C-N 114.255 -0.973 . . . . 0.0 110.835 -177.57 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -156.1 -82.73 0.04 OUTLIER Glycine 0 C--N 1.319 -0.363 0 N-CA-C 111.508 -0.637 . . . . 0.0 111.508 179.523 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -121.09 164.84 16.19 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.567 0.222 . . . . 0.0 111.031 -177.122 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.692 HG23 ' CB ' ' A' ' 73' ' ' GLU . 1.6 p -120.67 129.08 76.01 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 N-CA-C 107.685 -1.228 . . . . 0.0 107.685 170.174 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.594 ' CG ' ' N ' ' A' ' 71' ' ' PHE . 1.0 OUTLIER -95.11 -179.54 4.85 Favored 'General case' 0 C--N 1.313 -1.019 0 C-N-CA 120.659 -0.417 . . . . 0.0 110.568 -175.913 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.594 ' N ' ' CG ' ' A' ' 70' ' ' ASP . 66.0 t80 -58.39 -42.83 87.97 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 -176.659 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -59.27 -44.05 92.45 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.488 -179.249 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.692 ' CB ' HG23 ' A' ' 69' ' ' VAL . 56.5 mp0 -69.62 -39.15 77.36 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.287 0.565 . . . . 0.0 109.993 176.325 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.692 ' CE1' HD21 ' A' ' 36' ' ' LEU . 22.5 t80 -60.73 -49.75 76.23 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.832 177.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.92 HG21 ' CB ' ' B' ' 79' ' ' ALA . 24.9 m -63.94 -43.32 97.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 C-N-CA 120.13 -0.628 . . . . 0.0 112.058 -179.058 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 14.7 p -64.87 -38.3 82.39 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 C-N-CA 120.348 -0.541 . . . . 0.0 110.689 -179.141 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.744 ' CD2' HD11 ' A' ' 33' ' ' LEU . 49.4 tp -60.86 -49.7 76.42 Favored 'General case' 0 CA--C 1.508 -0.662 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.809 179.376 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.658 HG12 HD23 ' A' ' 37' ' ' LEU . 22.0 m -66.52 -42.1 89.56 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.04 0 C-N-CA 119.604 -0.839 . . . . 0.0 110.121 177.633 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.927 ' CB ' HG21 ' B' ' 75' ' ' VAL . . . -62.77 -42.82 99.86 Favored 'General case' 0 CA--C 1.51 -0.585 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.149 179.045 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.02 -48.77 77.69 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-O 121.369 0.604 . . . . 0.0 109.841 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 87.8 mt -62.69 -40.87 98.47 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.498 -0.773 . . . . 0.0 109.159 176.42 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.481 ' O ' ' HB2' ' A' ' 86' ' ' ASN . 17.3 m -62.24 -51.53 67.4 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.284 179.305 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.672 HG11 ' HG3' ' B' ' 72' ' ' GLN . 5.1 p -63.17 -43.41 98.82 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.373 0 C-N-CA 119.896 -0.722 . . . . 0.0 111.226 178.654 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.0 -52.5 65.0 Favored 'General case' 0 N--CA 1.446 -0.65 0 C-N-CA 120.15 -0.62 . . . . 0.0 110.585 178.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.948 ' SD ' ' HB3' ' A' ' 47' ' ' ALA . 15.8 ttp -75.61 -42.37 51.98 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 119.816 -0.754 . . . . 0.0 111.459 -179.041 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.6 ' OD1' ' NE1' ' A' ' 90' ' ' TRP . 2.1 t-20 -63.46 -34.0 76.8 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 -178.559 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.692 ' HA ' ' CD2' ' A' ' 90' ' ' TRP . 16.4 t-20 -57.45 -38.08 73.89 Favored 'General case' 0 CA--C 1.513 -0.45 0 C-N-CA 120.424 -0.51 . . . . 0.0 109.645 175.123 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.599 ' O ' ' N ' ' A' ' 92' ' ' ASN . 90.1 t80 -59.02 -42.95 91.41 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 172.302 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.518 ' HB2' ' O ' ' A' ' 86' ' ' ASN . 20.0 m-30 -58.81 -42.92 90.28 Favored 'General case' 0 C--O 1.232 0.181 0 C-N-CA 120.282 -0.567 . . . . 0.0 109.495 174.398 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.707 ' HZ2' HD12 ' B' ' 12' ' ' ILE . 20.2 m0 -62.84 -50.25 71.69 Favored 'General case' 0 CA--C 1.501 -0.933 0 CA-C-O 121.486 0.66 . . . . 0.0 109.512 179.605 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -70.54 -29.41 65.87 Favored 'General case' 0 C--N 1.3 -1.567 0 CA-C-N 114.926 -1.034 . . . . 0.0 112.358 179.601 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.599 ' N ' ' O ' ' A' ' 88' ' ' PHE . 59.3 t-20 -37.83 121.65 0.93 Allowed 'General case' 0 CA--C 1.507 -0.701 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.466 -173.71 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 60.8 m . . . . . 0 C--O 1.203 -1.364 0 CA-C-N 114.929 -1.032 . . . . 0.0 109.97 -172.414 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' GLY . . . . . 0.695 ' H1 ' ' H ' ' A' ' 43' ' ' GLY . . . . . . . . 0 CA--C 1.521 0.423 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 2' ' ' SER . . . . . 0.444 ' H ' ' H2 ' ' B' ' 1' ' ' GLY . 18.1 m -93.01 174.95 6.97 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.794 0.331 . . . . 0.0 111.404 -179.293 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.4 ' H ' ' CD ' ' B' ' 3' ' ' GLU . 45.5 mp0 -55.86 -23.03 28.43 Favored 'General case' 0 CA--C 1.513 -0.465 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 175.55 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.69 HD12 HD23 ' A' ' 11' ' ' LEU . 2.9 mm? -61.32 -39.86 92.08 Favored 'General case' 0 N--CA 1.438 -1.033 0 CA-C-N 115.327 -0.851 . . . . 0.0 108.806 -178.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -61.68 -41.06 97.05 Favored 'General case' 0 N--CA 1.446 -0.673 0 C-N-CA 119.869 -0.732 . . . . 0.0 109.308 175.361 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 8.4 m -62.8 -45.8 90.93 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.135 0.493 . . . . 0.0 109.826 174.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.95 -47.47 82.82 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.53 -0.545 . . . . 0.0 109.53 177.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' MET . . . . . 0.725 ' SD ' HD11 ' A' ' 11' ' ' LEU . 97.7 mmm -63.93 -41.87 97.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.326 177.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 72.6 mt-10 -66.73 -34.54 78.07 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 120.64 -0.424 . . . . 0.0 111.502 177.364 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.433 ' O ' HG23 ' B' ' 14' ' ' VAL . 9.0 m -58.29 -43.19 87.92 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 175.148 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.938 HD23 ' CD1' ' A' ' 4' ' ' LEU . 67.7 mt -61.85 -42.06 98.59 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.687 175.247 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.707 HD12 ' HZ2' ' A' ' 90' ' ' TRP . 21.1 mm -63.08 -44.16 99.38 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 CA-C-O 121.133 0.492 . . . . 0.0 109.789 -178.537 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 51.3 m-80 -62.41 -41.61 98.81 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.698 -175.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.649 HG21 HD21 ' A' ' 4' ' ' LEU . 97.7 t -62.94 -44.22 99.49 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 176.703 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -57.38 -46.87 82.94 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 178.46 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -59.96 -45.3 93.12 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.231 175.441 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.51 ' O ' ' HG2' ' B' ' 21' ' ' LYS . . . -53.46 -34.42 57.86 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.009 -178.619 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 86.8 m-70 -88.41 -36.49 16.5 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 178.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 73.4 m -57.68 -42.54 83.85 Favored 'General case' 0 C--O 1.239 0.548 0 C-N-CA 120.267 -0.573 . . . . 0.0 110.131 179.487 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.48 -40.28 92.02 Favored Glycine 0 N--CA 1.446 -0.634 0 N-CA-C 109.454 -1.458 . . . . 0.0 109.454 177.537 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.51 ' HG2' ' O ' ' B' ' 17' ' ' ALA . 11.4 mmtp -71.62 -48.32 48.71 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.101 0.477 . . . . 0.0 109.839 178.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.403 ' HB2' ' OG ' ' B' ' 29' ' ' SER . 0.2 OUTLIER -66.21 -46.14 78.29 Favored 'General case' 0 C--O 1.238 0.481 0 N-CA-C 114.108 1.151 . . . . 0.0 114.108 -171.357 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 162.86 -69.53 0.22 Allowed Glycine 0 C--O 1.238 0.381 0 C-N-CA 119.292 -1.432 . . . . 0.0 112.883 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.433 ' HB3' ' HB2' ' B' ' 27' ' ' LYS . 38.8 t70 -71.14 161.18 31.55 Favored 'General case' 0 CA--C 1.509 -0.625 0 CA-C-O 121.366 0.603 . . . . 0.0 112.14 -175.775 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.475 ' H ' ' HG2' ' B' ' 25' ' ' LYS . 7.0 pttm -55.52 -40.15 71.43 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 114.718 -1.128 . . . . 0.0 108.962 175.491 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.483 ' CG ' ' CE3' ' A' ' 90' ' ' TRP . 1.7 p90 -148.95 93.63 2.13 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.244 172.41 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.433 ' HB2' ' HB3' ' B' ' 24' ' ' ASP . 7.2 mmmm -159.51 158.83 32.6 Favored 'General case' 0 CA--C 1.49 -1.329 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 171.291 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.423 HD11 ' HB2' ' B' ' 32' ' ' GLU . 52.1 tp -125.45 126.44 44.93 Favored 'General case' 0 C--N 1.3 -1.577 0 C-N-CA 120.169 -0.612 . . . . 0.0 109.415 173.331 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.403 ' OG ' ' HB2' ' B' ' 22' ' ' GLU . 6.0 p -88.64 161.36 16.92 Favored 'General case' 0 N--CA 1.433 -1.276 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 171.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.749 ' NZ ' ' HA ' ' B' ' 62' ' ' ASP . 11.3 mmmm -69.34 -4.54 18.63 Favored 'General case' 0 C--N 1.3 -1.569 0 C-N-CA 120.284 -0.567 . . . . 0.0 110.352 -178.282 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 54.2 mttm -61.55 -47.14 86.91 Favored 'General case' 0 CA--C 1.508 -0.636 0 CA-C-N 114.916 -1.038 . . . . 0.0 109.164 -177.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.472 ' O ' ' N ' ' B' ' 36' ' ' LEU . 4.5 mt-10 -101.54 -22.14 14.57 Favored 'General case' 0 C--O 1.213 -0.857 0 CA-C-N 114.853 -1.067 . . . . 0.0 110.969 -175.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.711 HD11 ' CD2' ' B' ' 77' ' ' LEU . 2.8 tm? -57.39 -42.53 82.4 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 -177.738 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -62.49 -45.33 93.52 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 119.699 -0.8 . . . . 0.0 110.104 178.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.402 ' O ' ' OG1' ' B' ' 39' ' ' THR . 99.7 mt-10 -68.25 -43.98 76.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.811 0.815 . . . . 0.0 109.849 177.769 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.519 HD21 ' CE1' ' B' ' 74' ' ' TYR . 22.3 tp -61.08 -48.15 83.02 Favored 'General case' 0 C--N 1.304 -1.398 0 CA-C-N 114.643 -1.162 . . . . 0.0 111.966 179.151 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.768 HD11 HD11 ' B' ' 81' ' ' LEU . 0.1 OUTLIER -62.37 -47.67 83.16 Favored 'General case' 0 C--N 1.316 -0.859 0 C-N-CA 120.163 -0.615 . . . . 0.0 110.343 -176.735 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.736 ' HB2' HD22 ' B' ' 45' ' ' LEU . 15.7 pt20 -64.88 -43.45 92.9 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.298 -0.561 . . . . 0.0 110.996 176.579 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 70.8 m -62.73 -53.16 58.62 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.617 -177.028 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.426 ' HG3' HG11 ' B' ' 14' ' ' VAL . 68.3 mm-40 -73.82 -39.25 64.21 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 -176.737 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.481 ' HA ' ' CG ' ' A' ' 5' ' ' GLU . 10.8 mp -92.6 44.89 1.17 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.83 0.348 . . . . 0.0 110.49 176.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 51.6 m -53.61 -44.22 69.27 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.819 -175.389 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -66.76 -50.36 48.57 Favored Glycine 0 C--O 1.242 0.644 0 C-N-CA 120.649 -0.786 . . . . 0.0 111.298 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.639 ' HD1' ' SD ' ' B' ' 85' ' ' MET . 79.8 m-85 -66.42 -41.36 89.35 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-O 121.275 0.56 . . . . 0.0 110.118 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.736 HD22 ' HB2' ' B' ' 38' ' ' GLN . 2.0 tp -48.0 -51.36 24.23 Favored 'General case' 0 CA--C 1.504 -0.794 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.852 -179.515 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -62.69 -42.37 99.6 Favored 'General case' 0 C--N 1.3 -1.553 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.923 -177.422 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 47' ' ' ALA . . . . . 0.599 ' HB3' ' SD ' ' B' ' 85' ' ' MET . . . -70.9 -41.15 71.67 Favored 'General case' 0 C--N 1.313 -0.993 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -175.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.678 ' NE2' ' HB3' ' B' ' 81' ' ' LEU . 11.5 mt-30 -71.15 -16.51 62.54 Favored 'General case' 0 C--N 1.313 -0.987 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -171.474 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -58.19 -40.68 82.15 Favored 'General case' 0 CA--C 1.5 -0.972 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 -176.465 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -66.4 -30.84 71.3 Favored 'General case' 0 C--N 1.309 -1.195 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.598 178.093 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 54.6 t -69.2 -41.56 81.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.773 -178.4 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.462 ' OD2' ' NZ ' ' B' ' 56' ' ' LYS . 0.7 OUTLIER 73.63 -7.18 1.62 Allowed 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 115.002 -0.999 . . . . 0.0 111.539 -176.914 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.666 ' O ' HG23 ' B' ' 57' ' ' VAL . . . -69.19 -37.69 78.25 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 174.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.537 ' HA ' HD21 ' B' ' 81' ' ' LEU . 7.6 p -57.08 -42.77 80.06 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.443 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.781 179.019 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.415 ' HB3' ' O ' ' B' ' 52' ' ' ASP . 1.5 t70 -53.15 -53.1 55.49 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.788 175.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 56' ' ' LYS . . . . . 0.462 ' NZ ' ' OD2' ' B' ' 52' ' ' ASP . 21.0 mttp -65.83 -40.86 92.18 Favored 'General case' 0 C--N 1.298 -1.638 0 CA-C-N 114.636 -1.165 . . . . 0.0 111.353 -178.844 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.666 HG23 ' O ' ' B' ' 53' ' ' ALA . 60.0 t -62.13 -45.83 97.85 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 177.124 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 58' ' ' MET . . . . . 0.419 ' SD ' HD13 ' B' ' 37' ' ' LEU . 2.1 mtm -61.75 -42.26 98.74 Favored 'General case' 0 CA--C 1.5 -0.948 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 177.422 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 59' ' ' LYS . . . . . 0.629 ' HB2' ' HZ2' ' B' ' 59' ' ' LYS . 0.1 OUTLIER -62.39 -42.51 99.48 Favored 'General case' 0 C--N 1.305 -1.361 0 CA-C-N 114.717 -1.129 . . . . 0.0 109.831 -177.855 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 60' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' B' ' 64' ' ' ASN . 42.1 tt0 -59.39 -42.51 91.89 Favored 'General case' 0 CA--C 1.517 -0.315 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 177.032 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.672 ' HG ' HD13 ' B' ' 77' ' ' LEU . 1.9 mm? -62.4 -39.03 91.92 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.132 -0.486 . . . . 0.0 109.889 173.144 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.749 ' HA ' ' NZ ' ' B' ' 30' ' ' LYS . 59.2 m-20 -66.5 -39.35 88.66 Favored 'General case' 0 C--N 1.316 -0.867 0 C-N-CA 120.26 -0.576 . . . . 0.0 111.03 176.552 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -65.8 -41.74 91.56 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 172.725 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 64' ' ' ASN . . . . . 0.49 ' C ' ' H ' ' B' ' 66' ' ' ASP . 2.0 m-80 -75.83 -1.55 25.76 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 114.973 -1.012 . . . . 0.0 109.833 175.53 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' B' ' 61' ' ' LEU . . . -74.75 44.19 1.47 Allowed Glycine 0 N--CA 1.449 -0.47 0 N-CA-C 108.753 -1.739 . . . . 0.0 108.753 175.141 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.49 ' H ' ' C ' ' B' ' 64' ' ' ASN . 16.9 t70 -64.11 -39.14 93.39 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 115.055 -0.573 . . . . 0.0 110.15 -176.139 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -138.11 -77.82 0.07 OUTLIER Glycine 0 C--N 1.318 -0.437 0 N-CA-C 109.942 -1.263 . . . . 0.0 109.942 178.501 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.406 ' OE2' ' NZ ' ' B' ' 27' ' ' LYS . 1.6 mp0 -133.67 166.6 22.23 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 178.823 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.754 HG23 ' CB ' ' B' ' 73' ' ' GLU . 1.8 p -110.4 125.16 67.65 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.665 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 172.111 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.32 -173.83 2.89 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-O 121.074 0.464 . . . . 0.0 110.455 -178.163 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.63 ' O ' HG22 ' B' ' 75' ' ' VAL . 64.3 t80 -60.27 -44.7 95.1 Favored 'General case' 0 C--N 1.309 -1.195 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.565 179.322 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.672 ' HG3' HG11 ' A' ' 83' ' ' VAL . 25.4 mt-30 -59.22 -42.12 90.27 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.89 177.617 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.754 ' CB ' HG23 ' B' ' 69' ' ' VAL . 46.1 mt-10 -69.73 -41.21 75.58 Favored 'General case' 0 C--O 1.24 0.57 0 C-N-CA 119.861 -0.735 . . . . 0.0 110.762 175.523 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 74' ' ' TYR . . . . . 0.519 ' CE1' HD21 ' B' ' 36' ' ' LEU . 29.6 t80 -61.18 -48.67 80.5 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.318 178.667 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.927 HG21 ' CB ' ' A' ' 79' ' ' ALA . 27.6 m -64.86 -43.0 96.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 C-N-CA 120.261 -0.576 . . . . 0.0 112.5 -179.56 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 13.1 p -64.65 -39.66 86.39 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 C-N-CA 120.292 -0.563 . . . . 0.0 110.305 -178.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.755 HD21 HD12 ' B' ' 37' ' ' LEU . 52.6 tp -61.03 -48.0 83.8 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.569 -179.479 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 22.3 m -67.48 -42.26 86.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 C-N-CA 119.755 -0.778 . . . . 0.0 110.462 175.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.92 ' CB ' HG21 ' A' ' 75' ' ' VAL . . . -64.17 -41.25 97.21 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.728 -179.039 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 80' ' ' ALA . . . . . 0.533 ' O ' HG12 ' B' ' 83' ' ' VAL . . . -60.4 -44.63 95.5 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 177.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.768 HD11 HD11 ' B' ' 37' ' ' LEU . 97.4 mt -63.46 -41.75 98.62 Favored 'General case' 0 C--N 1.305 -1.326 0 CA-C-N 114.864 -1.062 . . . . 0.0 109.981 175.34 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.437 ' O ' ' HB2' ' B' ' 86' ' ' ASN . 17.7 m -61.66 -48.92 78.64 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.86 177.037 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.533 HG12 ' O ' ' B' ' 80' ' ' ALA . 0.4 OUTLIER -63.9 -42.11 94.72 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.354 179.683 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -51.29 -60.83 2.69 Favored 'General case' 0 C--O 1.239 0.502 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.433 -179.066 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 85' ' ' MET . . . . . 0.639 ' SD ' ' HD1' ' B' ' 44' ' ' PHE . 87.2 mtp -66.27 -41.6 89.63 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.583 -0.447 . . . . 0.0 112.03 176.702 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.479 ' O ' ' CD1' ' B' ' 90' ' ' TRP . 28.3 m-80 -62.24 -40.27 95.62 Favored 'General case' 0 CA--C 1.497 -1.065 0 C-N-CA 119.86 -0.736 . . . . 0.0 111.671 -179.395 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 87' ' ' ASN . . . . . 0.512 ' HA ' ' CE3' ' B' ' 90' ' ' TRP . 3.4 t30 -58.64 -40.68 84.08 Favored 'General case' 0 N--CA 1.443 -0.789 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 175.654 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.63 ' O ' ' N ' ' B' ' 92' ' ' ASN . 56.4 t80 -61.07 -45.23 95.58 Favored 'General case' 0 C--O 1.212 -0.887 0 C-N-CA 120.08 -0.648 . . . . 0.0 110.38 170.157 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 19.6 m-30 -57.41 -43.59 83.89 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.073 -0.651 . . . . 0.0 109.711 178.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 90' ' ' TRP . . . . . 0.524 ' CD1' ' NE2' ' A' ' 16' ' ' HIS . 10.7 m0 -64.14 -50.16 69.3 Favored 'General case' 0 CA--C 1.503 -0.865 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 179.224 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -71.28 -31.52 67.57 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 114.961 -1.018 . . . . 0.0 112.446 -178.41 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 92' ' ' ASN . . . . . 0.63 ' N ' ' O ' ' B' ' 88' ' ' PHE . 54.9 t-20 -47.53 108.01 0.14 Allowed 'General case' 0 C--O 1.24 0.591 0 CA-C-O 121.374 0.607 . . . . 0.0 110.6 -175.583 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 9.9 m . . . . . 0 C--O 1.207 -1.139 0 CA-C-N 115.132 -0.94 . . . . 0.0 108.935 -177.358 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.638 0 N-CA-C 111.109 -0.796 . . . . 0.0 111.109 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -73.12 157.42 37.28 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 179.086 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -59.35 -38.28 80.0 Favored 'General case' 0 CA--C 1.507 -0.684 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 175.756 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.923 HD21 HG21 ' B' ' 14' ' ' VAL . 4.3 mm? -61.54 -44.47 96.98 Favored 'General case' 0 C--N 1.314 -0.95 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 178.027 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.435 ' HG2' ' CD1' ' B' ' 44' ' ' PHE . 99.4 mt-10 -64.39 -42.4 96.14 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.067 -0.969 . . . . 0.0 109.674 175.558 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.1 m -61.22 -45.73 93.36 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.555 178.148 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.496 ' HB1' ' HB1' ' B' ' 7' ' ' ALA . . . -61.29 -41.84 97.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.099 177.438 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.504 ' HG2' ' O ' ' A' ' 4' ' ' LEU . 93.1 mmm -64.47 -40.8 96.36 Favored 'General case' 0 C--O 1.238 0.493 0 C-N-CA 120.603 -0.439 . . . . 0.0 110.964 177.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -64.21 -38.11 89.87 Favored 'General case' 0 CA--C 1.515 -0.371 0 C-N-CA 120.053 -0.659 . . . . 0.0 109.891 176.486 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 18.0 m -57.11 -46.04 82.93 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.503 HD11 ' SD ' ' B' ' 8' ' ' MET . 94.7 mt -63.85 -41.18 97.85 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.256 175.6 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.439 HD13 ' CE1' ' A' ' 71' ' ' PHE . 24.1 mm -62.89 -43.25 98.79 Favored 'Isoleucine or valine' 0 C--O 1.237 0.42 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.199 178.656 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 22.5 m120 -59.46 -44.53 92.97 Favored 'General case' 0 CA--C 1.509 -0.611 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 -178.06 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.58 HG21 HD21 ' B' ' 4' ' ' LEU . 74.3 t -67.29 -43.81 87.82 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.312 175.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.477 ' CE1' ' HB2' ' A' ' 28' ' ' LEU . 69.5 t80 -57.85 -46.63 84.5 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.615 ' NE2' ' OD1' ' B' ' 86' ' ' ASN . 11.9 m-70 -60.49 -48.0 83.68 Favored 'General case' 0 CA--C 1.503 -0.862 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.975 179.522 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.539 ' O ' ' HG2' ' A' ' 21' ' ' LYS . . . -55.28 -50.19 70.16 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.933 -175.807 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.429 ' HB3' ' HB3' ' A' ' 32' ' ' GLU . 94.9 m-70 -67.49 -40.29 85.22 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 177.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 28.0 m -56.96 -41.42 78.27 Favored 'General case' 0 C--O 1.24 0.581 0 CA-C-O 121.706 0.765 . . . . 0.0 109.05 175.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.99 -40.09 95.04 Favored Glycine 0 N--CA 1.444 -0.79 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.211 -179.69 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.539 ' HG2' ' O ' ' A' ' 17' ' ' ALA . 43.2 mmtm -66.65 -48.37 69.6 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.757 -0.377 . . . . 0.0 111.32 -174.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.552 ' HG2' ' HD2' ' A' ' 31' ' ' LYS . 70.9 mt-10 -70.14 -44.92 67.88 Favored 'General case' 0 C--O 1.24 0.573 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.17 -171.179 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 152.71 -25.46 0.84 Allowed Glycine 0 CA--C 1.533 1.193 0 C-N-CA 119.7 -1.238 . . . . 0.0 114.525 176.441 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.501 ' CB ' ' HB2' ' A' ' 27' ' ' LYS . 6.3 t70 -77.38 160.74 28.54 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 117.924 0.862 . . . . 0.0 112.366 -175.535 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.528 ' HB3' ' CD2' ' A' ' 26' ' ' TYR 0.254 74.2 mmtt -62.81 -49.41 75.06 Favored 'General case' 0 CA--C 1.486 -1.518 0 N-CA-C 107.292 -1.373 . . . . 0.0 107.292 171.345 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.528 ' CD2' ' HB3' ' A' ' 25' ' ' LYS . 1.1 p90 -158.33 92.52 1.16 Allowed 'General case' 0 N--CA 1.416 -2.126 0 CA-C-N 113.602 -1.636 . . . . 0.0 109.988 178.528 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.501 ' HB2' ' CB ' ' A' ' 24' ' ' ASP . 21.5 mmmt -156.31 157.23 35.35 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 106.09 -1.818 . . . . 0.0 106.09 172.615 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.517 HD21 HD23 ' A' ' 36' ' ' LEU . 38.3 tp -123.05 127.94 49.46 Favored 'General case' 0 C--N 1.302 -1.491 0 C-N-CA 119.784 -0.766 . . . . 0.0 109.18 176.638 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.449 ' HB2' ' HG3' ' A' ' 31' ' ' LYS . 0.9 OUTLIER -105.01 -178.33 3.62 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 179.942 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.586 ' CE ' ' HA ' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -82.74 -5.42 58.9 Favored 'General case' 0 C--N 1.307 -1.248 0 C-N-CA 119.601 -0.839 . . . . 0.0 111.664 -175.335 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.552 ' HD2' ' HG2' ' A' ' 22' ' ' GLU . 35.8 mttt -65.56 -45.42 83.4 Favored 'General case' 0 CA--C 1.505 -0.779 0 N-CA-C 107.651 -1.24 . . . . 0.0 107.651 179.059 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 36' ' ' LEU . 74.8 mm-40 -97.25 -40.68 8.65 Favored 'General case' 0 N--CA 1.431 -1.389 0 CA-C-N 113.908 -1.496 . . . . 0.0 112.093 -174.854 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.628 ' C ' HD13 ' A' ' 33' ' ' LEU . 2.7 tm? -58.87 -44.94 91.18 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 120.947 -0.301 . . . . 0.0 111.434 -172.423 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.4 mtpp -61.71 -42.01 98.38 Favored 'General case' 0 C--N 1.313 -1.021 0 C-N-CA 120.159 -0.616 . . . . 0.0 109.528 -179.174 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -72.67 -43.6 62.93 Favored 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.551 177.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.702 HD21 ' CE1' ' A' ' 74' ' ' TYR . 2.9 tp -61.45 -48.53 80.73 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.214 -0.903 . . . . 0.0 112.321 -178.695 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.816 HD12 ' SD ' ' A' ' 58' ' ' MET . 2.8 tm? -62.5 -46.57 87.85 Favored 'General case' 0 C--N 1.317 -0.846 0 C-N-CA 119.935 -0.706 . . . . 0.0 110.962 -174.364 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.699 ' HA ' HD22 ' A' ' 45' ' ' LEU . 14.5 pt20 -65.57 -42.69 91.49 Favored 'General case' 0 C--N 1.316 -0.861 0 C-N-CA 120.146 -0.621 . . . . 0.0 110.24 176.118 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 97.8 m -64.16 -52.38 59.29 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 112.832 0.678 . . . . 0.0 112.832 -176.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.417 ' HG2' HD12 ' A' ' 36' ' ' LEU . 75.3 mm-40 -76.15 -39.87 53.96 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 113.255 0.835 . . . . 0.0 113.255 -174.243 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.583 HD22 HD21 ' A' ' 37' ' ' LEU . 10.2 mp -87.32 38.08 0.8 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.027 0.441 . . . . 0.0 111.126 -179.009 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -41.83 -56.14 2.81 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-N 115.569 -0.741 . . . . 0.0 112.151 -178.346 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.411 ' H ' ' CD ' ' B' ' 5' ' ' GLU . . . -66.05 -43.79 92.72 Favored Glycine 0 C--N 1.317 -0.492 0 N-CA-C 111.67 -0.572 . . . . 0.0 111.67 -178.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.619 ' HA ' ' SD ' ' A' ' 85' ' ' MET . 47.4 m-85 -66.79 -42.66 85.65 Favored 'General case' 0 CA--C 1.498 -1.032 0 CA-C-O 121.261 0.553 . . . . 0.0 109.952 179.476 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.699 HD22 ' HA ' ' A' ' 38' ' ' GLN . 49.6 tp -61.71 -47.82 83.56 Favored 'General case' 0 N--CA 1.432 -1.346 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.365 177.036 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.442 ' OD1' ' NZ ' ' A' ' 49' ' ' LYS . 29.4 t70 -62.77 -42.43 99.68 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.143 0.497 . . . . 0.0 110.791 177.718 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.841 ' HB3' ' SD ' ' A' ' 85' ' ' MET . . . -75.14 -10.19 59.24 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.799 -178.319 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 44.4 mm-40 -111.57 3.23 17.83 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 -177.78 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.442 ' NZ ' ' OD1' ' A' ' 46' ' ' ASP . 42.0 mtmt -60.54 -32.9 71.93 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 177.229 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -81.2 8.88 7.83 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.375 -0.829 . . . . 0.0 110.914 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.559 ' O ' HG12 ' A' ' 54' ' ' VAL . 75.5 t -120.08 130.67 74.02 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 CA-C-O 121.416 0.627 . . . . 0.0 110.91 -176.374 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -65.37 -39.94 92.92 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.389 177.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.526 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -58.05 -35.17 70.95 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.475 -0.784 . . . . 0.0 113.107 -171.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.577 ' HA ' HD21 ' A' ' 81' ' ' LEU . 7.1 p -57.59 -46.66 86.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 C-N-CA 119.744 -0.782 . . . . 0.0 111.001 -175.546 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 59' ' ' LYS . 23.6 t70 -58.47 -48.8 79.58 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.12 0.486 . . . . 0.0 110.089 177.518 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.438 ' HD2' ' N ' ' A' ' 56' ' ' LYS . 2.8 mptp? -65.98 -41.33 91.3 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.769 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.557 HG12 HD12 ' A' ' 77' ' ' LEU . 57.9 t -60.44 -46.07 95.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 174.465 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.816 ' SD ' HD12 ' A' ' 37' ' ' LEU . 30.4 mmm -62.09 -44.25 97.07 Favored 'General case' 0 CA--C 1.504 -0.798 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.012 178.638 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.508 ' NZ ' ' OE2' ' A' ' 63' ' ' GLU . 20.9 tptp -67.65 -46.44 72.43 Favored 'General case' 0 N--CA 1.435 -1.21 0 CA-C-N 114.843 -1.071 . . . . 0.0 111.028 -176.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 -58.84 -46.29 88.07 Favored 'General case' 0 C--O 1.241 0.614 0 C-N-CA 120.351 -0.54 . . . . 0.0 109.737 179.74 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.663 ' HG ' HD13 ' A' ' 77' ' ' LEU . 1.8 mm? -63.7 -40.22 96.24 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.45 174.776 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.586 ' HA ' ' CE ' ' A' ' 30' ' ' LYS . 36.2 t70 -61.43 -42.71 99.18 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 120.273 -0.571 . . . . 0.0 110.452 177.47 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.508 ' OE2' ' NZ ' ' A' ' 59' ' ' LYS . 74.0 mm-40 -57.32 -46.25 83.44 Favored 'General case' 0 CA--C 1.512 -0.517 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 178.394 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.499 ' C ' ' H ' ' A' ' 66' ' ' ASP . 10.0 t-20 -65.23 -41.88 93.95 Favored 'General case' 0 CA--C 1.502 -0.88 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.443 178.346 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.551 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . . . -69.88 40.61 0.43 Allowed Glycine 0 C--O 1.238 0.404 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 178.377 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.499 ' H ' ' C ' ' A' ' 64' ' ' ASN . 32.7 t70 -63.77 -35.06 79.34 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 177.261 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -108.98 -66.53 0.58 Allowed Glycine 0 C--N 1.32 -0.348 0 N-CA-C 109.302 -1.519 . . . . 0.0 109.302 175.181 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.413 ' OE1' ' NZ ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -138.9 170.48 15.91 Favored 'General case' 0 CA--C 1.511 -0.526 0 CA-C-O 120.658 0.266 . . . . 0.0 110.366 177.959 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.475 HG11 ' HG ' ' A' ' 33' ' ' LEU . 1.5 p -125.41 129.58 72.93 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.099 0 N-CA-C 107.542 -1.281 . . . . 0.0 107.542 169.567 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -94.03 -179.89 5.11 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 119.733 -0.787 . . . . 0.0 111.851 -174.124 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.439 ' CE1' HD13 ' A' ' 12' ' ' ILE . 48.1 t80 -61.25 -44.57 97.03 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.948 -179.799 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.42 ' O ' HG22 ' A' ' 75' ' ' VAL . 33.6 mt-30 -59.93 -44.3 94.43 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.992 179.015 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.461 ' HA ' HG12 ' A' ' 76' ' ' VAL . 61.2 mt-10 -66.48 -40.6 89.42 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 121.1 0.476 . . . . 0.0 110.524 174.832 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.702 ' CE1' HD21 ' A' ' 36' ' ' LEU . 32.2 t80 -60.37 -47.96 83.81 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.435 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.694 HG21 ' CB ' ' B' ' 79' ' ' ALA . 18.6 m -63.47 -42.86 97.7 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 C-N-CA 119.645 -0.822 . . . . 0.0 111.422 179.219 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.461 HG12 ' HA ' ' A' ' 73' ' ' GLU . 14.1 p -67.49 -37.35 78.7 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.759 0 C-N-CA 119.922 -0.711 . . . . 0.0 110.915 -179.221 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.663 HD13 ' HG ' ' A' ' 61' ' ' LEU . 53.2 tp -60.78 -47.66 85.32 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.232 -0.587 . . . . 0.0 109.834 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.597 HG12 HD23 ' A' ' 37' ' ' LEU . 10.4 m -70.41 -43.05 78.5 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 C-N-CA 120.452 -0.499 . . . . 0.0 111.001 175.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.712 ' CB ' HG21 ' B' ' 75' ' ' VAL . . . -64.77 -38.92 92.62 Favored 'General case' 0 CA--C 1.511 -0.553 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.32 179.788 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 76' ' ' VAL . . . -56.79 -48.13 78.61 Favored 'General case' 0 CA--C 1.509 -0.63 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 178.723 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.577 HD21 ' HA ' ' A' ' 54' ' ' VAL . 99.5 mt -63.75 -41.17 98.05 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 115.025 -0.989 . . . . 0.0 109.773 174.797 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.478 HG21 ' HB3' ' B' ' 8' ' ' MET . 22.7 m -61.74 -51.05 69.93 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.546 -179.422 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 13.2 p -62.56 -44.34 99.27 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.424 0 C-N-CA 120.106 -0.637 . . . . 0.0 109.8 179.49 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.58 -51.61 68.79 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.256 177.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.841 ' SD ' ' HB3' ' A' ' 47' ' ' ALA . 9.2 ttt -71.13 -44.75 64.97 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.073 -0.651 . . . . 0.0 111.561 -179.804 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.429 ' HB2' ' O ' ' A' ' 82' ' ' THR . 8.2 m120 -65.94 -25.05 66.95 Favored 'General case' 0 CA--C 1.499 -1.006 0 C-N-CA 120.953 -0.299 . . . . 0.0 111.23 -177.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.446 HD21 ' CD ' ' A' ' 91' ' ' GLU . 9.7 t30 -55.95 -35.87 67.16 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 178.183 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.476 ' O ' ' N ' ' A' ' 92' ' ' ASN . 59.5 m-85 -60.1 -41.15 91.91 Favored 'General case' 0 C--O 1.214 -0.771 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.953 178.028 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -55.85 -46.8 78.1 Favored 'General case' 0 CA--C 1.512 -0.487 0 CA-C-O 120.989 0.423 . . . . 0.0 110.661 -176.013 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.509 ' CE2' ' CD2' ' B' ' 16' ' ' HIS . 37.4 m95 -72.81 -40.91 65.46 Favored 'General case' 0 C--N 1.303 -1.433 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.107 -177.109 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.446 ' CD ' HD21 ' A' ' 87' ' ' ASN . 89.7 mt-10 -70.15 -38.04 75.38 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.409 -0.517 . . . . 0.0 110.296 175.355 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.476 ' N ' ' O ' ' A' ' 88' ' ' PHE . 36.0 t30 -50.28 114.44 1.12 Allowed 'General case' 0 CA--C 1.51 -0.572 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.825 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 6.0 t . . . . . 0 C--O 1.209 -1.072 0 CA-C-O 118.341 -0.838 . . . . 0.0 111.203 -172.944 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.734 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' SER . . . . . 0.418 ' O ' ' N ' ' B' ' 5' ' ' GLU . 18.8 m -68.22 151.53 46.83 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 177.409 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.459 ' H ' ' CD ' ' B' ' 3' ' ' GLU . 2.0 mp0 -51.4 -24.72 5.16 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 177.003 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.58 HD21 HG21 ' A' ' 14' ' ' VAL . 8.5 mp -61.74 -42.24 98.71 Favored 'General case' 0 N--CA 1.442 -0.851 0 CA-C-N 115.21 -0.905 . . . . 0.0 109.658 177.602 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' B' ' 2' ' ' SER . 31.0 mt-10 -62.49 -42.94 99.84 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 178.853 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 8.0 m -62.13 -44.57 96.34 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-N 115.272 -0.876 . . . . 0.0 109.103 173.156 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.496 ' HB1' ' HB1' ' A' ' 7' ' ' ALA . . . -57.34 -45.08 84.69 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.995 178.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 8' ' ' MET . . . . . 0.503 ' SD ' HD11 ' A' ' 11' ' ' LEU . 95.9 mmm -63.45 -41.88 98.65 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.332 -0.547 . . . . 0.0 109.879 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 9' ' ' GLU . . . . . 0.404 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 70.0 mt-10 -65.35 -37.14 86.15 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 120.325 -0.55 . . . . 0.0 110.463 173.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.597 ' O ' HG23 ' B' ' 14' ' ' VAL . 8.7 m -58.81 -43.19 90.5 Favored 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 176.327 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.714 HD23 ' CD1' ' A' ' 4' ' ' LEU . 99.4 mt -62.51 -42.6 99.62 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.969 175.011 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.539 HD13 ' CD1' ' B' ' 71' ' ' PHE . 18.4 mm -62.76 -46.09 97.22 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.003 -178.256 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 13' ' ' ASN . . . . . 0.404 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 50.2 m-80 -63.75 -42.28 97.88 Favored 'General case' 0 C--N 1.312 -1.065 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.255 -176.451 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.923 HG21 HD21 ' A' ' 4' ' ' LEU . 77.8 t -64.19 -46.78 92.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 175.828 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.595 ' CE2' ' HB2' ' B' ' 28' ' ' LEU . 64.1 t80 -57.2 -47.53 81.05 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.36 -0.837 . . . . 0.0 108.781 176.293 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.509 ' CD2' ' CE2' ' A' ' 90' ' ' TRP . 2.2 t-80 -61.51 -44.06 97.74 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.336 -179.031 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.02 -43.33 60.86 Favored 'General case' 0 CA--C 1.508 -0.661 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 -178.164 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.507 ' CD2' HD22 ' B' ' 36' ' ' LEU . 97.5 m-70 -69.22 -39.2 78.7 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-N 115.021 -0.991 . . . . 0.0 111.001 175.232 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 75.5 m -56.58 -40.48 75.29 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 176.543 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.19 -48.2 81.83 Favored Glycine 0 N--CA 1.443 -0.863 0 N-CA-C 109.799 -1.32 . . . . 0.0 109.799 176.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 65.4 mmtt -66.35 -40.6 89.93 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.747 0.308 . . . . 0.0 111.309 178.681 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.481 ' HG3' ' H ' ' B' ' 24' ' ' ASP . 4.7 tp10 -63.57 -35.17 79.61 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.305 176.346 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 107.01 -13.13 41.12 Favored Glycine 0 C--O 1.237 0.338 0 C-N-CA 121.141 -0.552 . . . . 0.0 111.786 175.438 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.481 ' H ' ' HG3' ' B' ' 22' ' ' GLU . 9.4 t70 -77.83 148.7 34.59 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.616 -0.434 . . . . 0.0 110.337 177.558 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.405 ' HE2' ' CZ ' ' B' ' 26' ' ' TYR . 18.0 pttm -63.49 -30.87 71.93 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 120.476 -0.49 . . . . 0.0 110.356 176.379 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.405 ' CZ ' ' HE2' ' B' ' 25' ' ' LYS . 2.1 p90 -164.17 93.35 0.69 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.651 170.546 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.522 ' HE2' ' HB2' ' B' ' 68' ' ' GLU . 1.1 mmtm -164.12 161.41 22.33 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 114.835 -1.075 . . . . 0.0 108.521 172.064 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.595 ' HB2' ' CE2' ' B' ' 15' ' ' PHE . 47.3 tp -124.64 121.27 34.24 Favored 'General case' 0 C--N 1.306 -1.289 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 174.85 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 11.3 p -85.89 170.71 12.11 Favored 'General case' 0 C--N 1.315 -0.928 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 176.698 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.624 ' CE ' ' HA ' ' B' ' 62' ' ' ASP . 3.8 mmmm -72.66 -6.36 43.82 Favored 'General case' 0 C--N 1.315 -0.9 0 C-N-CA 120.139 -0.624 . . . . 0.0 109.786 179.145 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 22.0 mttm -63.53 -65.91 0.62 Allowed 'General case' 0 CA--C 1.511 -0.553 0 CA-C-O 122.311 1.053 . . . . 0.0 108.286 177.298 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.492 ' CB ' ' HB3' ' B' ' 18' ' ' HIS . 70.8 mm-40 -72.86 -39.52 66.43 Favored 'General case' 0 N--CA 1.431 -1.423 0 CA-C-N 113.553 -1.658 . . . . 0.0 112.749 -175.524 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.583 HD13 ' C ' ' B' ' 33' ' ' LEU . 3.0 tm? -59.15 -43.96 92.07 Favored 'General case' 0 CA--C 1.51 -0.582 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.203 -173.073 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.494 ' NZ ' ' HB3' ' B' ' 34' ' ' LYS . 9.3 mtpm? -63.02 -43.02 99.89 Favored 'General case' 0 C--N 1.315 -0.907 0 C-N-CA 120.255 -0.578 . . . . 0.0 110.299 179.353 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.439 ' O ' ' OG1' ' B' ' 39' ' ' THR . 69.2 mm-40 -66.09 -46.6 77.09 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 177.294 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.721 HD21 ' CE1' ' B' ' 74' ' ' TYR . 9.1 tp -62.03 -51.39 68.2 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-N 114.564 -1.198 . . . . 0.0 113.611 -178.053 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.643 HD12 ' SD ' ' B' ' 58' ' ' MET . 2.9 tm? -63.53 -47.61 80.94 Favored 'General case' 0 C--N 1.316 -0.856 0 C-N-CA 119.786 -0.766 . . . . 0.0 111.527 -172.45 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -66.14 -41.54 90.29 Favored 'General case' 0 C--N 1.314 -0.957 0 C-N-CA 120.286 -0.566 . . . . 0.0 110.485 178.191 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.439 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 68.8 m -64.84 -55.73 17.75 Favored 'General case' 0 C--O 1.244 0.796 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -177.588 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -70.88 -40.44 72.25 Favored 'General case' 0 CA--C 1.51 -0.571 0 N-CA-C 112.629 0.603 . . . . 0.0 112.629 -176.516 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.439 HD21 ' HB ' ' B' ' 78' ' ' VAL . 9.2 mp -98.23 21.9 10.3 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.62 -179.666 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -48.73 -36.24 15.9 Favored 'General case' 0 N--CA 1.443 -0.782 0 C-N-CA 120.604 -0.438 . . . . 0.0 110.375 -179.273 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -64.76 -51.09 54.8 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 110.894 -0.883 . . . . 0.0 110.894 175.348 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.435 ' CD1' ' HG2' ' A' ' 5' ' ' GLU . 41.2 m-85 -63.81 -43.12 97.23 Favored 'General case' 0 CA--C 1.509 -0.628 0 CA-C-O 121.225 0.536 . . . . 0.0 110.386 176.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.517 ' O ' HD12 ' B' ' 45' ' ' LEU . 2.3 tp -59.14 -47.95 83.4 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.476 179.704 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -65.05 -41.09 95.47 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-O 121.076 0.465 . . . . 0.0 110.662 173.478 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 47' ' ' ALA . . . . . 0.442 ' HB1' ' SD ' ' B' ' 85' ' ' MET . . . -59.7 -47.83 84.09 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.922 -176.506 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.53 ' NE2' ' SD ' ' B' ' 85' ' ' MET . 0.0 OUTLIER -109.69 23.04 14.95 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -179.181 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.472 ' O ' ' NZ ' ' B' ' 49' ' ' LYS . 0.3 OUTLIER -59.58 -29.74 68.16 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 177.901 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 30.4 p-10 -78.44 -5.9 53.77 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.232 -177.745 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 51' ' ' VAL . . . . . 0.797 ' O ' HG12 ' B' ' 54' ' ' VAL . 57.5 t -85.02 127.95 39.43 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.655 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 177.663 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -59.35 -39.17 82.33 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-O 121.358 0.599 . . . . 0.0 110.002 -179.046 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.718 ' O ' HG23 ' B' ' 57' ' ' VAL . . . -58.67 -24.59 61.56 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-N 115.375 -0.83 . . . . 0.0 112.185 -178.545 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.797 HG12 ' O ' ' B' ' 51' ' ' VAL . 9.4 p -57.77 -45.41 87.05 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 C-N-CA 120.067 -0.653 . . . . 0.0 110.963 -174.485 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -60.98 -48.03 83.71 Favored 'General case' 0 CA--C 1.51 -0.559 0 CA-C-O 121.73 0.776 . . . . 0.0 109.487 177.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 56' ' ' LYS . . . . . 0.47 ' HA ' ' HB3' ' B' ' 59' ' ' LYS . 59.6 mttm -64.37 -39.12 93.25 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 114.194 -1.367 . . . . 0.0 111.806 -178.26 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.718 HG23 ' O ' ' B' ' 53' ' ' ALA . 71.4 t -60.04 -46.76 93.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 176.615 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 58' ' ' MET . . . . . 0.643 ' SD ' HD12 ' B' ' 37' ' ' LEU . 7.2 mmm -62.31 -43.38 98.96 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.675 0.75 . . . . 0.0 109.105 176.631 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 59' ' ' LYS . . . . . 0.47 ' HB3' ' HA ' ' B' ' 56' ' ' LYS . 28.0 tptp -63.58 -47.29 82.09 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-N 114.482 -1.236 . . . . 0.0 111.292 -176.825 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 78.8 tt0 -58.92 -42.76 90.46 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 -177.108 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.794 ' HG ' HD13 ' B' ' 77' ' ' LEU . 2.8 mm? -63.41 -41.01 98.72 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.777 174.444 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.624 ' HA ' ' CE ' ' B' ' 30' ' ' LYS . 44.1 t0 -60.14 -46.66 88.89 Favored 'General case' 0 N--CA 1.443 -0.81 0 C-N-CA 119.546 -0.862 . . . . 0.0 110.137 177.064 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.72 -45.92 90.5 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.595 178.567 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 64' ' ' ASN . . . . . 0.452 ' C ' ' H ' ' B' ' 66' ' ' ASP . 12.4 t-20 -63.81 -41.98 97.77 Favored 'General case' 0 CA--C 1.498 -1.047 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 178.454 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' B' ' 61' ' ' LEU . . . -69.48 50.64 0.62 Allowed Glycine 0 N--CA 1.444 -0.776 0 N-CA-C 109.684 -1.367 . . . . 0.0 109.684 178.206 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.452 ' H ' ' C ' ' B' ' 64' ' ' ASN . 33.6 t70 -61.69 -37.57 84.63 Favored 'General case' 0 CA--C 1.498 -1.052 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 178.414 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -113.52 -73.67 0.62 Allowed Glycine 0 C--N 1.316 -0.551 0 N-CA-C 109.644 -1.383 . . . . 0.0 109.644 175.731 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.522 ' HB2' ' HE2' ' B' ' 27' ' ' LYS . 0.9 OUTLIER -127.65 178.14 6.32 Favored 'General case' 0 C--N 1.314 -0.946 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 178.676 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.495 HG23 ' CB ' ' B' ' 73' ' ' GLU . 1.8 p -127.76 133.2 68.0 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.189 0 N-CA-C 107.784 -1.191 . . . . 0.0 107.784 169.795 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -98.07 -178.8 4.18 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 120.344 -0.542 . . . . 0.0 111.815 -174.049 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.539 ' CD1' HD13 ' B' ' 12' ' ' ILE . 65.8 t80 -61.4 -44.63 96.81 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.526 -179.222 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.44 ' O ' HG22 ' B' ' 75' ' ' VAL . 47.4 mt-30 -59.7 -42.7 93.57 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.825 178.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.514 ' HA ' HG12 ' B' ' 76' ' ' VAL . 91.0 mt-10 -67.39 -38.75 85.17 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.475 176.469 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 74' ' ' TYR . . . . . 0.721 ' CE1' HD21 ' B' ' 36' ' ' LEU . 32.0 t80 -60.72 -48.23 82.72 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.28 178.619 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.712 HG21 ' CB ' ' A' ' 79' ' ' ALA . 17.6 m -64.48 -42.69 95.98 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 C-N-CA 120.067 -0.653 . . . . 0.0 111.899 179.83 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.514 HG12 ' HA ' ' B' ' 73' ' ' GLU . 12.0 p -65.47 -39.65 85.82 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 C-N-CA 120.429 -0.508 . . . . 0.0 110.968 -178.133 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.794 HD13 ' HG ' ' B' ' 61' ' ' LEU . 57.4 tp -61.09 -48.27 82.45 Favored 'General case' 0 CA--C 1.515 -0.388 0 C-N-CA 120.412 -0.515 . . . . 0.0 110.063 -179.615 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.534 HG12 HD23 ' B' ' 37' ' ' LEU . 15.6 m -69.07 -41.55 81.62 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 C-N-CA 120.336 -0.546 . . . . 0.0 110.736 176.83 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.694 ' CB ' HG21 ' A' ' 75' ' ' VAL . . . -63.16 -40.09 96.53 Favored 'General case' 0 CA--C 1.507 -0.699 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.06 178.737 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 80' ' ' ALA . . . . . 0.655 ' O ' HG12 ' B' ' 83' ' ' VAL . . . -56.28 -48.74 76.02 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 -179.532 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.405 ' HG ' HG11 ' B' ' 57' ' ' VAL . 98.8 mt -65.57 -41.58 92.77 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.046 174.775 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 18.5 m -60.44 -46.14 91.12 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.579 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.655 HG12 ' O ' ' B' ' 80' ' ' ALA . 2.7 p -62.68 -41.76 93.5 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.74 0 C-N-CA 120.402 -0.519 . . . . 0.0 109.831 178.063 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.05 -47.86 84.1 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 174.208 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 85' ' ' MET . . . . . 0.53 ' SD ' ' NE2' ' B' ' 48' ' ' GLN . 12.6 tpt -59.26 -43.79 92.44 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.7 177.168 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.615 ' OD1' ' NE2' ' A' ' 16' ' ' HIS . 32.5 t30 -62.34 -43.14 99.52 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.603 178.74 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 32.6 t30 -62.67 -44.42 96.29 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 120.39 -0.524 . . . . 0.0 110.389 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -64.69 -32.68 74.46 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.403 175.286 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -53.69 -48.93 69.06 Favored 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 -177.037 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 90' ' ' TRP . . . . . 0.45 ' CD1' ' O ' ' B' ' 86' ' ' ASN . 42.3 m95 -78.27 -44.11 26.34 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.6 178.795 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 -68.52 -36.71 79.23 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 120.215 -0.594 . . . . 0.0 112.366 -178.111 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -47.33 115.68 1.18 Allowed 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 -178.109 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 1.9 t . . . . . 0 C--O 1.205 -1.246 0 CA-C-O 117.978 -1.011 . . . . 0.0 110.417 -176.119 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.581 0 N-CA-C 110.774 -0.931 . . . . 0.0 110.774 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.434 ' C ' ' N ' ' A' ' 4' ' ' LEU . 0.7 OUTLIER -75.37 -172.21 1.69 Allowed 'General case' 0 C--N 1.319 -0.739 0 C-N-CA 122.64 0.376 . . . . 0.0 111.6 -176.777 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.457 ' H ' ' CD ' ' A' ' 3' ' ' GLU . 1.9 mp0 -41.78 -24.31 0.04 OUTLIER 'General case' 0 CA--C 1.509 -0.613 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.984 178.474 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.696 ' CD1' HD23 ' B' ' 11' ' ' LEU . 2.3 mm? -61.02 -42.41 98.42 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.819 -174.356 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.459 ' O ' ' HG3' ' A' ' 9' ' ' GLU . 93.2 mt-10 -65.92 -44.03 86.36 Favored 'General case' 0 N--CA 1.443 -0.787 0 C-N-CA 119.729 -0.788 . . . . 0.0 109.706 176.235 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 14.3 m -61.08 -45.55 94.28 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.813 176.682 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 3' ' ' GLU . . . -55.39 -47.75 75.4 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 178.67 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.529 ' HE1' ' HB2' ' B' ' 79' ' ' ALA . 94.9 mmm -64.7 -40.75 95.9 Favored 'General case' 0 C--O 1.239 0.55 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.672 177.561 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.459 ' HG3' ' O ' ' A' ' 5' ' ' GLU . 88.7 mt-10 -62.39 -37.54 86.13 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 177.685 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.3 m -59.59 -44.92 93.2 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 178.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.608 HD11 ' SD ' ' B' ' 8' ' ' MET . 85.5 mt -62.86 -40.77 98.49 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.241 175.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 22.1 mm -61.93 -45.53 98.5 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.54 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.053 -179.358 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -61.38 -44.74 96.64 Favored 'General case' 0 C--N 1.316 -0.863 0 C-N-CA 120.749 -0.38 . . . . 0.0 110.521 -177.484 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.78 HG21 HD11 ' B' ' 4' ' ' LEU . 74.2 t -63.99 -48.07 87.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 C-N-CA 120.56 -0.456 . . . . 0.0 110.048 177.443 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.535 ' CE2' ' HB2' ' A' ' 28' ' ' LEU . 56.8 t80 -61.09 -48.52 81.31 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.42 0.628 . . . . 0.0 109.892 177.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -60.57 -45.33 94.35 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.968 -1.015 . . . . 0.0 111.219 -175.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.14 -46.72 79.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.308 -0.405 . . . . 0.0 109.975 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.414 ' ND1' ' OE1' ' A' ' 32' ' ' GLU . 87.9 m-70 -67.22 -37.75 84.1 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.994 176.566 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.497 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 25.1 m -56.31 -41.12 75.47 Favored 'General case' 0 CA--C 1.511 -0.52 0 C-N-CA 120.156 -0.618 . . . . 0.0 109.471 177.01 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.51 -36.11 83.26 Favored Glycine 0 N--CA 1.445 -0.737 0 N-CA-C 110.481 -1.048 . . . . 0.0 110.481 178.141 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.5 mmtp -65.08 -47.22 78.03 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -175.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -152.88 -35.45 0.11 Allowed 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 112.616 0.599 . . . . 0.0 112.616 -178.649 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.5 91.6 0.17 Allowed Glycine 0 CA--C 1.526 0.722 0 C-N-CA 121.585 -0.341 . . . . 0.0 112.75 -172.547 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.523 ' CG ' ' H ' ' A' ' 25' ' ' LYS . 14.6 t70 37.87 -148.06 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 122.925 0.49 . . . . 0.0 110.288 174.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.523 ' H ' ' CG ' ' A' ' 24' ' ' ASP . 16.1 pttm -93.0 -34.32 13.78 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 169.831 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.524 ' HB3' ' CE2' ' B' ' 90' ' ' TRP . 0.0 OUTLIER -131.79 92.37 3.13 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.284 165.143 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.605 ' NZ ' ' HB2' ' A' ' 70' ' ' ASP . 30.9 mmtt -164.17 166.19 21.39 Favored 'General case' 0 CA--C 1.497 -1.092 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.339 175.625 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.623 ' CD2' HD23 ' A' ' 33' ' ' LEU . 45.8 tp -125.88 130.18 50.82 Favored 'General case' 0 C--N 1.296 -1.725 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 171.625 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -81.83 156.29 24.95 Favored 'General case' 0 C--N 1.316 -0.875 0 C-N-CA 119.686 -0.805 . . . . 0.0 109.55 -177.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.484 ' NZ ' ' O ' ' A' ' 65' ' ' GLY . 0.7 OUTLIER -69.93 -4.42 20.48 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 177.437 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.42 ' H ' ' HG3' ' A' ' 31' ' ' LYS . 30.9 mttt -79.58 -59.36 2.78 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 178.516 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.426 ' O ' ' HB3' ' A' ' 36' ' ' LEU . 80.6 mm-40 -66.77 -39.01 87.68 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-N 113.69 -1.595 . . . . 0.0 110.215 -179.528 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.694 HD21 HD23 ' A' ' 77' ' ' LEU . 2.8 tm? -59.18 -43.53 92.17 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.204 -171.703 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 50.2 mttp -62.36 -45.52 92.82 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 119.838 -0.745 . . . . 0.0 109.732 -178.748 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -72.45 -49.42 33.51 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.075 -177.166 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.52 ' HG ' ' N ' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -63.55 -44.36 94.38 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.817 -0.628 . . . . 0.0 111.484 -179.639 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.585 HD13 ' C ' ' A' ' 37' ' ' LEU . 3.0 tm? -61.98 -46.29 89.89 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 119.962 -0.695 . . . . 0.0 110.837 -177.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -65.67 -40.45 92.41 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 119.611 -0.835 . . . . 0.0 110.393 176.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 97.8 m -62.95 -51.01 68.56 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.039 179.093 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.656 ' HB3' HD12 ' B' ' 4' ' ' LEU . 65.4 mm-40 -72.73 -39.43 66.91 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 120.392 -0.523 . . . . 0.0 112.142 -174.692 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.566 HD22 HD21 ' A' ' 37' ' ' LEU . 11.1 mp -105.57 31.91 4.66 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 111.886 0.328 . . . . 0.0 111.886 -176.447 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 50.6 m -52.57 -40.99 63.18 Favored 'General case' 0 C--N 1.319 -0.76 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.906 -178.271 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -63.17 -46.92 92.1 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.441 -0.664 . . . . 0.0 111.441 179.089 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.429 ' CD2' ' HG2' ' B' ' 5' ' ' GLU . 17.4 m-85 -70.15 -43.23 71.31 Favored 'General case' 0 CA--C 1.5 -0.968 0 CA-C-O 121.391 0.615 . . . . 0.0 109.918 176.667 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 49' ' ' LYS . 49.0 tp -61.15 -47.01 88.2 Favored 'General case' 0 N--CA 1.435 -1.186 0 CA-C-N 115.125 -0.943 . . . . 0.0 111.182 -179.491 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -64.11 -39.16 93.45 Favored 'General case' 0 C--N 1.318 -0.765 0 C-N-CA 120.266 -0.574 . . . . 0.0 110.337 178.207 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.59 ' HB3' ' HG3' ' A' ' 85' ' ' MET . . . -60.86 -35.04 75.58 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.654 -179.134 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.451 HE21 ' C ' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -131.3 41.63 3.3 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.985 -0.286 . . . . 0.0 111.598 179.149 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -65.5 -38.93 91.16 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.854 0.359 . . . . 0.0 110.593 179.772 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.437 ' OD1' ' NZ ' ' A' ' 49' ' ' LYS . 1.0 OUTLIER -98.02 5.34 48.86 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-N 115.832 -0.622 . . . . 0.0 112.419 -176.056 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.625 ' O ' HG12 ' A' ' 54' ' ' VAL . 16.3 t -83.4 120.59 34.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 176.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.515 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 23.6 t70 -48.54 -33.69 10.06 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-O 121.109 0.481 . . . . 0.0 111.18 -176.277 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.494 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -49.64 -33.21 14.83 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.627 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.625 HG12 ' O ' ' A' ' 51' ' ' VAL . 10.0 p -60.88 -46.59 96.08 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 C-N-CA 120.601 -0.44 . . . . 0.0 110.583 -178.476 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -62.27 -40.55 96.59 Favored 'General case' 0 CA--C 1.5 -0.958 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 177.004 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.515 ' NZ ' ' OD2' ' A' ' 52' ' ' ASP . 41.5 mmtm -64.98 -41.23 95.62 Favored 'General case' 0 N--CA 1.439 -1.006 0 CA-C-N 115.226 -0.897 . . . . 0.0 109.826 -178.641 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.572 HG11 ' HG ' ' A' ' 81' ' ' LEU . 54.3 t -60.69 -44.48 97.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 173.795 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.553 ' HG2' ' O ' ' A' ' 54' ' ' VAL . 59.0 mmm -60.21 -41.69 93.54 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.636 0.731 . . . . 0.0 109.661 176.664 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.447 ' NZ ' ' OE2' ' A' ' 63' ' ' GLU . 14.4 tptp -63.73 -47.06 82.61 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 114.671 -1.15 . . . . 0.0 111.265 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -57.53 -45.24 85.29 Favored 'General case' 0 C--O 1.244 0.785 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 179.314 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.788 ' HG ' HD13 ' A' ' 77' ' ' LEU . 3.3 mm? -66.43 -41.08 89.7 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.799 174.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.456 ' OD1' ' NZ ' ' A' ' 30' ' ' LYS . 28.2 t70 -60.84 -37.08 80.82 Favored 'General case' 0 CA--C 1.508 -0.671 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.718 -174.041 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.447 ' OE2' ' NZ ' ' A' ' 59' ' ' LYS . 98.7 mt-10 -62.98 -47.77 81.71 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 179.812 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 63.2 m-20 -64.89 -45.95 83.82 Favored 'General case' 0 CA--C 1.505 -0.781 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.792 172.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.484 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . . . -75.67 53.6 2.86 Favored Glycine 0 CA--C 1.493 -1.327 0 N-CA-C 110.304 -1.119 . . . . 0.0 110.304 -178.455 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -60.5 -39.23 86.98 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 108.466 -0.938 . . . . 0.0 108.466 177.751 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -126.72 -68.95 0.17 Allowed Glycine 0 C--N 1.318 -0.447 0 N-CA-C 110.202 -1.159 . . . . 0.0 110.202 175.077 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -110.03 162.06 14.91 Favored 'General case' 0 C--N 1.313 -0.995 0 C-N-CA 122.824 0.45 . . . . 0.0 110.004 177.41 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.5 HG13 ' HB3' ' A' ' 28' ' ' LEU . 2.1 p -120.53 130.64 74.25 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.361 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 175.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.613 ' CG ' ' N ' ' A' ' 71' ' ' PHE . 0.1 OUTLIER -92.59 175.11 6.94 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.186 0.517 . . . . 0.0 112.259 -173.55 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.684 ' O ' HG22 ' A' ' 75' ' ' VAL . 59.9 t80 -60.27 -45.3 93.8 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.955 -178.175 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -60.52 -38.64 85.03 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 179.05 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.628 ' O ' HD11 ' A' ' 61' ' ' LEU . 98.1 mt-10 -70.21 -44.89 67.71 Favored 'General case' 0 C--N 1.31 -1.136 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.248 176.032 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 45.1 t80 -60.82 -48.15 83.13 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.887 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 1.004 HG21 ' CB ' ' B' ' 79' ' ' ALA . 17.4 m -61.12 -43.48 96.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 C-N-CA 120.253 -0.579 . . . . 0.0 111.558 -178.112 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.574 ' O ' ' N ' ' A' ' 80' ' ' ALA . 12.7 p -66.57 -34.5 70.49 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.746 0 C-N-CA 120.035 -0.666 . . . . 0.0 110.049 178.19 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.788 HD13 ' HG ' ' A' ' 61' ' ' LEU . 48.9 tp -61.37 -48.7 80.06 Favored 'General case' 0 CA--C 1.512 -0.498 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.442 178.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.494 HG12 HD23 ' A' ' 37' ' ' LEU . 18.6 m -68.59 -42.58 83.53 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.831 0 C-N-CA 119.874 -0.73 . . . . 0.0 110.316 176.4 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.875 ' CB ' HG21 ' B' ' 75' ' ' VAL . . . -61.71 -40.99 97.0 Favored 'General case' 0 CA--C 1.506 -0.727 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.552 177.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.574 ' N ' ' O ' ' A' ' 76' ' ' VAL . . . -57.58 -50.69 72.29 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.584 -178.665 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.572 ' HG ' HG11 ' A' ' 57' ' ' VAL . 93.5 mt -63.19 -40.72 98.32 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.587 174.489 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.416 ' O ' ' HB2' ' A' ' 86' ' ' ASN . 21.1 m -59.42 -50.52 73.63 Favored 'General case' 0 N--CA 1.445 -0.704 0 C-N-CA 120.311 -0.555 . . . . 0.0 110.114 179.337 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.435 HG11 ' HG3' ' B' ' 72' ' ' GLN . 14.0 p -65.44 -43.11 94.65 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 C-N-CA 119.786 -0.766 . . . . 0.0 110.338 176.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.41 -52.53 64.99 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.471 179.049 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.59 ' HG3' ' HB3' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -68.71 -43.64 75.56 Favored 'General case' 0 CA--C 1.516 -0.337 0 C-N-CA 120.485 -0.486 . . . . 0.0 110.511 177.264 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.617 ' ND2' HG13 ' B' ' 12' ' ' ILE . 80.8 m-20 -61.89 -34.4 75.97 Favored 'General case' 0 CA--C 1.489 -1.375 0 C-N-CA 120.306 -0.558 . . . . 0.0 111.35 -179.179 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.562 ' HA ' ' CD1' ' A' ' 90' ' ' TRP . 0.3 OUTLIER -45.22 -38.3 5.3 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 177.906 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.428 ' HB3' ' O ' ' A' ' 85' ' ' MET . 90.2 t80 -61.67 -45.39 94.22 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.731 173.83 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.577 ' N ' ' O ' ' A' ' 86' ' ' ASN . 10.8 m-85 -61.24 -46.54 89.97 Favored 'General case' 0 C--O 1.219 -0.537 0 N-CA-C 113.656 0.984 . . . . 0.0 113.656 -178.3 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.587 ' CD1' ' O ' ' A' ' 86' ' ' ASN . 2.6 m95 -58.67 -47.08 85.69 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 118.638 -1.225 . . . . 0.0 107.96 -176.716 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 90.8 mt-10 -70.4 -46.41 64.03 Favored 'General case' 0 N--CA 1.441 -0.917 0 CA-C-N 114.551 -1.204 . . . . 0.0 110.512 -178.595 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.417 ' O ' ' OG ' ' A' ' 93' ' ' SER . 45.2 t30 -96.73 100.09 11.65 Favored 'General case' 0 CA--C 1.508 -0.66 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 175.033 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.417 ' OG ' ' O ' ' A' ' 92' ' ' ASN . 3.8 m . . . . . 0 C--O 1.206 -1.191 0 CA-C-O 118.276 -0.869 . . . . 0.0 109.626 -178.326 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 1' ' ' GLY . . . . . 0.526 ' H3 ' ' CD ' ' B' ' 5' ' ' GLU . . . . . . . . 0 C--O 1.238 0.349 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 2' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 40' ' ' GLU . 70.6 m -72.61 176.52 5.41 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-O 120.924 0.392 . . . . 0.0 111.018 178.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.516 ' H ' ' CD ' ' B' ' 3' ' ' GLU . 50.0 mp0 -55.15 -17.83 4.8 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 175.648 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.78 HD11 HG21 ' A' ' 14' ' ' VAL . 47.2 mt -60.93 -39.91 91.2 Favored 'General case' 0 N--CA 1.438 -1.06 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.195 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.526 ' CD ' ' H3 ' ' B' ' 1' ' ' GLY . 95.8 mt-10 -61.33 -41.78 97.6 Favored 'General case' 0 N--CA 1.445 -0.696 0 C-N-CA 119.289 -0.964 . . . . 0.0 108.852 175.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 7.6 m -61.99 -45.92 91.5 Favored 'General case' 0 C--O 1.239 0.504 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 174.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.61 -47.6 83.82 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.87 177.691 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' MET . . . . . 0.608 ' SD ' HD11 ' A' ' 11' ' ' LEU . 97.0 mmm -64.27 -41.55 96.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.553 176.872 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 9' ' ' GLU . . . . . 0.429 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 4.4 mm-40 -60.51 -37.28 80.63 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 174.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 10.6 m -60.45 -44.25 96.04 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 176.384 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.696 HD23 ' CD1' ' A' ' 4' ' ' LEU . 81.2 mt -62.34 -42.38 99.34 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.755 174.854 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.617 HG13 ' ND2' ' A' ' 86' ' ' ASN . 11.9 mm -62.98 -44.51 99.7 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.611 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 179.693 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 13' ' ' ASN . . . . . 0.429 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 44.4 m-80 -60.63 -45.46 93.97 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.43 -177.63 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.642 HG21 HD21 ' A' ' 4' ' ' LEU . 38.2 t -64.04 -49.02 83.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.832 176.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.616 ' CE1' ' HB2' ' B' ' 28' ' ' LEU . 65.2 t80 -60.24 -47.48 85.81 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-O 121.611 0.72 . . . . 0.0 109.323 177.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.47 ' CG ' ' CZ3' ' A' ' 90' ' ' TRP . 0.7 OUTLIER -58.68 -43.95 90.11 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 114.744 -1.116 . . . . 0.0 110.561 -178.771 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.473 ' O ' ' HG2' ' B' ' 21' ' ' LYS . . . -54.57 -50.18 68.58 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.703 -179.209 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.506 ' ND1' ' HB3' ' B' ' 32' ' ' GLU . 96.5 m-70 -66.54 -39.09 88.41 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.08 178.572 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 19.9 m -58.39 -41.6 85.2 Favored 'General case' 0 CA--C 1.513 -0.445 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 174.071 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.4 -34.31 87.82 Favored Glycine 0 N--CA 1.446 -0.672 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 177.037 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.473 ' HG2' ' O ' ' B' ' 17' ' ' ALA . 25.5 mmtp -65.26 -49.54 69.2 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 120.142 -0.623 . . . . 0.0 110.456 -178.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' B' ' 24' ' ' ASP . 76.7 mt-10 -156.2 -29.19 0.1 Allowed 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.84 -179.173 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 23' ' ' GLY . . . . . 0.458 ' HA3' ' O ' ' B' ' 27' ' ' LYS . . . -60.81 70.2 0.01 OUTLIER Glycine 0 CA--C 1.527 0.843 0 CA-C-N 116.338 -0.392 . . . . 0.0 112.727 -171.446 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.574 ' CG ' ' H ' ' B' ' 25' ' ' LYS . 23.3 t70 36.28 -154.7 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.927 0.891 . . . . 0.0 111.785 178.863 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.574 ' H ' ' CG ' ' B' ' 24' ' ' ASP . 0.0 OUTLIER -64.25 -47.02 81.2 Favored 'General case' 0 CA--C 1.493 -1.214 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 -178.788 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.408 ' O ' ' HG2' ' B' ' 27' ' ' LYS . 0.0 OUTLIER -151.77 93.09 1.81 Allowed 'General case' 0 N--CA 1.43 -1.462 0 CA-C-N 114.979 -1.009 . . . . 0.0 110.526 172.733 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.458 ' O ' ' HA3' ' B' ' 23' ' ' GLY . 22.9 mmmt -158.36 169.61 24.08 Favored 'General case' 0 C--N 1.317 -0.848 0 C-N-CA 124.558 1.143 . . . . 0.0 108.169 174.261 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.616 ' HB2' ' CE1' ' B' ' 15' ' ' PHE . 45.9 tp -124.97 123.44 39.89 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 110.466 -0.198 . . . . 0.0 110.466 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 12.8 p -79.61 160.17 26.49 Favored 'General case' 0 C--O 1.241 0.651 0 CA-C-O 120.718 0.294 . . . . 0.0 111.43 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.517 ' NZ ' ' O ' ' B' ' 62' ' ' ASP . 0.2 OUTLIER -74.13 -8.61 56.77 Favored 'General case' 0 CA--C 1.511 -0.553 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 176.717 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -65.5 -42.63 91.93 Favored 'General case' 0 CA--C 1.496 -1.099 0 N-CA-C 106.85 -1.537 . . . . 0.0 106.85 177.104 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.515 ' O ' ' HB3' ' B' ' 36' ' ' LEU . 61.1 mm-40 -100.39 -41.91 6.83 Favored 'General case' 0 N--CA 1.423 -1.814 0 CA-C-N 112.226 -2.261 . . . . 0.0 110.146 -171.235 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.619 HD21 HD23 ' B' ' 77' ' ' LEU . 2.6 tm? -57.66 -45.78 85.1 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.176 -172.334 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.481 ' NZ ' ' OD1' ' B' ' 62' ' ' ASP . 67.8 mttm -63.76 -43.88 95.12 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 120.15 -0.62 . . . . 0.0 110.448 178.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -69.21 -49.35 57.26 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.489 -179.696 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.535 ' O ' HD12 ' B' ' 36' ' ' LEU . 0.1 OUTLIER -62.56 -46.49 88.12 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.823 -0.626 . . . . 0.0 112.447 -179.394 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.585 HD13 ' C ' ' B' ' 37' ' ' LEU . 3.0 tm? -61.92 -47.55 84.44 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 119.766 -0.773 . . . . 0.0 111.291 -174.42 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -65.91 -41.34 91.57 Favored 'General case' 0 C--N 1.318 -0.784 0 C-N-CA 120.189 -0.605 . . . . 0.0 110.236 177.36 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 96.6 m -63.32 -50.92 68.12 Favored 'General case' 0 N--CA 1.441 -0.896 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.576 -179.469 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.412 ' CG ' HD12 ' B' ' 36' ' ' LEU . 79.1 mm-40 -73.11 -41.05 64.45 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -177.588 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.434 HD21 ' HB ' ' B' ' 78' ' ' VAL . 9.8 mp -105.39 33.98 3.45 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.32 -176.117 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 18.3 m -51.94 -40.89 61.53 Favored 'General case' 0 C--N 1.314 -0.951 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.719 -177.442 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 43' ' ' GLY . . . . . 0.405 ' N ' ' OE2' ' A' ' 5' ' ' GLU . . . -66.66 -48.32 62.88 Favored Glycine 0 C--N 1.32 -0.313 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 178.219 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.6 ' CD1' ' SD ' ' B' ' 85' ' ' MET . 41.8 m-85 -65.57 -41.48 92.87 Favored 'General case' 0 CA--C 1.508 -0.667 0 CA-C-O 121.02 0.438 . . . . 0.0 110.525 177.449 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.54 ' O ' ' HB2' ' B' ' 49' ' ' LYS . 8.0 tp -60.37 -50.67 72.68 Favored 'General case' 0 C--N 1.309 -1.165 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.719 176.185 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -66.79 -42.32 86.19 Favored 'General case' 0 C--N 1.313 -1.018 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 176.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 47' ' ' ALA . . . . . 0.508 ' CB ' ' SD ' ' B' ' 85' ' ' MET . . . -56.39 -47.97 77.85 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.51 -176.371 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -116.5 28.47 8.55 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 179.602 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.54 ' HB2' ' O ' ' B' ' 45' ' ' LEU . 58.2 tttm -60.06 -45.87 91.45 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.291 0.567 . . . . 0.0 109.725 179.42 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -68.02 -18.19 64.63 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.652 -178.418 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 51' ' ' VAL . . . . . 0.567 ' O ' ' N ' ' B' ' 53' ' ' ALA . 47.8 t -65.74 -0.6 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.927 0 CA-C-N 116.284 -0.417 . . . . 0.0 112.108 -174.276 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.9 t70 63.24 -46.01 0.22 Allowed 'General case' 0 N--CA 1.475 0.788 0 CA-C-O 120.764 0.316 . . . . 0.0 111.202 179.12 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.567 ' N ' ' O ' ' B' ' 51' ' ' VAL . . . -51.64 -26.1 8.34 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.977 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.548 HG23 HD22 ' B' ' 81' ' ' LEU . 8.8 p -58.04 -44.63 87.5 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.711 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 177.536 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.468 ' OD2' ' NZ ' ' B' ' 59' ' ' LYS . 35.0 t70 -62.91 -44.81 95.09 Favored 'General case' 0 CA--C 1.496 -1.113 0 CA-C-O 121.483 0.658 . . . . 0.0 109.593 173.532 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 12.9 mmtp -63.2 -44.24 95.93 Favored 'General case' 0 C--N 1.308 -1.225 0 CA-C-N 114.857 -1.065 . . . . 0.0 109.973 -172.162 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.759 HG12 HD12 ' B' ' 77' ' ' LEU . 85.2 t -64.73 -46.44 92.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-O 121.378 0.609 . . . . 0.0 109.362 176.495 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 58' ' ' MET . . . . . 0.555 ' HG3' ' N ' ' B' ' 59' ' ' LYS . 0.0 OUTLIER -63.11 -34.64 78.04 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.397 178.902 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 59' ' ' LYS . . . . . 0.555 ' N ' ' HG3' ' B' ' 58' ' ' MET . 0.2 OUTLIER -58.78 -43.64 90.49 Favored 'General case' 0 CA--C 1.5 -0.977 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.931 -176.038 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -60.26 -44.46 95.27 Favored 'General case' 0 C--N 1.31 -1.114 0 C-N-CA 120.182 -0.607 . . . . 0.0 109.518 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.774 ' HG ' HD22 ' B' ' 77' ' ' LEU . 3.4 mm? -62.95 -42.81 99.93 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.158 174.568 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.517 ' O ' ' NZ ' ' B' ' 30' ' ' LYS . 13.8 t70 -59.92 -47.19 86.79 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 115.657 -0.702 . . . . 0.0 109.709 -179.401 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -66.6 -51.34 57.46 Favored 'General case' 0 CA--C 1.512 -0.487 0 CA-C-O 121.136 0.493 . . . . 0.0 110.618 178.09 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 64' ' ' ASN . . . . . 0.495 ' O ' ' N ' ' B' ' 66' ' ' ASP . 35.9 m-80 -63.66 -41.87 98.16 Favored 'General case' 0 CA--C 1.5 -0.948 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.265 -176.306 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.458 ' HA3' ' CE ' ' B' ' 30' ' ' LYS . . . -68.37 54.61 0.45 Allowed Glycine 0 N--CA 1.444 -0.786 0 N-CA-C 110.701 -0.96 . . . . 0.0 110.701 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.495 ' N ' ' O ' ' B' ' 64' ' ' ASN . 34.4 t70 -60.93 -37.47 82.41 Favored 'General case' 0 CA--C 1.505 -0.77 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 177.38 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -116.16 -68.12 0.41 Allowed Glycine 0 C--N 1.312 -0.76 0 N-CA-C 109.053 -1.619 . . . . 0.0 109.053 172.642 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.448 ' CB ' ' HB3' ' B' ' 27' ' ' LYS . 13.1 mp0 -138.27 165.72 25.99 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.085 0.469 . . . . 0.0 110.882 176.079 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.547 HG21 HD12 ' B' ' 61' ' ' LEU . 1.3 m -111.57 139.14 37.22 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.082 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 173.215 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.455 ' HB3' ' NZ ' ' B' ' 27' ' ' LYS . 0.0 OUTLIER -91.81 177.23 6.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 121.946 -0.471 . . . . 0.0 110.965 -173.213 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.636 ' O ' HG22 ' B' ' 75' ' ' VAL . 58.5 t80 -60.76 -45.05 95.83 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 -178.414 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.435 ' HG3' HG11 ' A' ' 83' ' ' VAL . 25.4 mt-30 -60.88 -38.75 86.73 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.424 175.346 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.442 ' OE1' ' N ' ' B' ' 70' ' ' ASP . 48.0 mt-10 -66.6 -45.06 80.43 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 175.032 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -62.63 -48.51 79.06 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 115.644 -0.707 . . . . 0.0 112.852 -179.474 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.875 HG21 ' CB ' ' A' ' 79' ' ' ALA . 18.0 m -63.02 -42.31 96.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 C-N-CA 120.208 -0.597 . . . . 0.0 112.489 -175.484 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 11.0 p -63.77 -37.48 79.81 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 C-N-CA 120.124 -0.631 . . . . 0.0 110.228 178.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.774 HD22 ' HG ' ' B' ' 61' ' ' LEU . 47.2 tp -60.73 -49.21 78.42 Favored 'General case' 0 CA--C 1.511 -0.543 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.887 179.57 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.556 HG12 HD23 ' B' ' 37' ' ' LEU . 17.2 m -67.58 -43.2 87.17 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 C-N-CA 119.485 -0.886 . . . . 0.0 110.504 177.343 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 1.004 ' CB ' HG21 ' A' ' 75' ' ' VAL . . . -63.61 -43.85 95.66 Favored 'General case' 0 CA--C 1.509 -0.612 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.902 -179.606 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 80' ' ' ALA . . . . . 0.651 ' HB3' HG11 ' B' ' 57' ' ' VAL . . . -61.98 -42.49 99.19 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 120.267 -0.573 . . . . 0.0 109.71 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.548 HD22 HG23 ' B' ' 54' ' ' VAL . 96.0 mt -63.73 -40.96 98.02 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 174.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.467 ' HA ' ' CD1' ' B' ' 44' ' ' PHE . 21.1 m -61.32 -49.14 78.2 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.605 176.501 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.531 HG12 ' O ' ' B' ' 80' ' ' ALA . 0.3 OUTLIER -63.29 -40.52 89.37 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 179.768 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.73 -51.73 66.33 Favored 'General case' 0 CA--C 1.519 -0.249 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 177.475 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 85' ' ' MET . . . . . 0.6 ' SD ' ' CD1' ' B' ' 44' ' ' PHE . 26.9 ttt -66.31 -42.28 88.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.256 0.551 . . . . 0.0 110.322 175.725 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.525 ' O ' ' N ' ' B' ' 89' ' ' PHE . 17.1 t30 -59.41 -26.33 65.06 Favored 'General case' 0 CA--C 1.501 -0.938 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.847 -174.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 35.8 t-20 -47.71 -38.59 15.55 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 177.538 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.425 ' O ' ' ND2' ' B' ' 92' ' ' ASN . 65.7 t80 -59.45 -46.36 88.99 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.872 172.805 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 89' ' ' PHE . . . . . 0.525 ' N ' ' O ' ' B' ' 86' ' ' ASN . 10.2 m-85 -60.02 -48.75 80.42 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 -172.682 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 90' ' ' TRP . . . . . 0.524 ' CE2' ' HB3' ' A' ' 26' ' ' TYR . 2.3 m95 -59.6 -44.37 93.4 Favored 'General case' 0 CA--C 1.507 -0.679 0 C-N-CA 119.064 -1.054 . . . . 0.0 109.559 -171.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -82.15 -44.84 15.94 Favored 'General case' 0 C--N 1.308 -1.201 0 CA-C-N 114.748 -1.114 . . . . 0.0 111.136 -176.079 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 92' ' ' ASN . . . . . 0.425 ' ND2' ' O ' ' B' ' 88' ' ' PHE . 51.6 m-80 -72.1 106.99 4.55 Favored 'General case' 0 CA--C 1.504 -0.798 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 177.747 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 6.4 m . . . . . 0 C--O 1.203 -1.372 0 CA-C-N 115.382 -0.826 . . . . 0.0 109.81 -174.499 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.645 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 m -72.78 161.13 31.12 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.553 0.216 . . . . 0.0 110.724 -178.251 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 7' ' ' ALA . 55.9 mp0 -60.65 -41.14 94.38 Favored 'General case' 0 CA--C 1.496 -1.097 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 175.777 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.773 ' CD1' HD23 ' B' ' 11' ' ' LEU . 2.7 mm? -61.75 -42.86 99.53 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-N 114.951 -1.022 . . . . 0.0 108.556 -179.087 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -65.52 -44.31 87.33 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-N 115.072 -0.967 . . . . 0.0 109.242 175.604 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.473 ' O ' ' N ' ' A' ' 10' ' ' THR . 10.8 m -60.98 -45.83 93.21 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.471 177.158 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.595 ' HB1' ' HB1' ' B' ' 7' ' ' ALA . . . -56.74 -48.86 76.85 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.504 179.08 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.487 ' HG2' ' O ' ' A' ' 4' ' ' LEU . 93.2 mmm -64.51 -41.45 96.41 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 -179.62 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 55.8 mm-40 -62.93 -36.67 84.17 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.802 174.596 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.473 ' N ' ' O ' ' A' ' 6' ' ' THR . 7.4 m -59.97 -45.02 94.04 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 176.728 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.68 HD23 HD22 ' B' ' 4' ' ' LEU . 85.2 mt -62.69 -39.81 95.13 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.149 177.228 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.46 HD13 ' CD1' ' A' ' 71' ' ' PHE . 19.5 mm -61.44 -43.84 97.47 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.777 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 -178.798 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 30.3 m-80 -59.83 -44.23 94.17 Favored 'General case' 0 C--N 1.313 -0.993 0 C-N-CA 120.206 -0.598 . . . . 0.0 110.365 -176.161 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 1.064 HG21 HD11 ' B' ' 4' ' ' LEU . 99.2 t -64.38 -48.65 84.37 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 C-N-CA 120.289 -0.564 . . . . 0.0 110.325 175.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.424 ' CE1' ' HB2' ' A' ' 28' ' ' LEU . 68.3 t80 -59.79 -48.26 82.39 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.663 0.744 . . . . 0.0 109.611 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.612 ' ND1' ' O ' ' A' ' 25' ' ' LYS . 5.2 t60 -61.55 -45.53 93.78 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 114.534 -1.212 . . . . 0.0 110.145 178.266 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.93 -49.51 76.52 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.511 178.344 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 66.4 m-70 -65.54 -37.8 87.78 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.071 177.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.499 ' HB3' ' H ' ' A' ' 27' ' ' LYS . 25.3 m -54.09 -44.02 70.86 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 178.457 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.46 -34.98 91.05 Favored Glycine 0 N--CA 1.444 -0.799 0 N-CA-C 110.671 -0.972 . . . . 0.0 110.671 177.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -63.09 -47.03 84.62 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 179.316 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.551 ' CD ' ' H ' ' A' ' 29' ' ' SER . 99.3 mt-10 -70.66 -40.75 72.81 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.481 -0.488 . . . . 0.0 110.551 177.341 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 146.33 -27.45 1.68 Allowed Glycine 0 CA--C 1.529 0.95 0 C-N-CA 121.145 -0.55 . . . . 0.0 112.69 176.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -75.75 152.41 37.41 Favored 'General case' 0 C--N 1.32 -0.716 0 O-C-N 122.196 -0.591 . . . . 0.0 110.879 -177.792 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.612 ' O ' ' ND1' ' A' ' 16' ' ' HIS . 0.0 OUTLIER -66.05 -45.14 82.45 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 171.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.409 ' O ' ' HG2' ' A' ' 27' ' ' LYS . 14.1 p90 -150.01 92.5 1.9 Allowed 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.463 172.146 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.499 ' H ' ' HB3' ' A' ' 19' ' ' SER . 3.4 mmmm -161.52 154.06 20.23 Favored 'General case' 0 CA--C 1.498 -1.026 0 N-CA-C 106.332 -1.729 . . . . 0.0 106.332 167.662 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.695 HD11 ' HB2' ' A' ' 32' ' ' GLU . 31.6 tp -131.27 141.21 49.95 Favored 'General case' 0 C--N 1.3 -1.583 0 C-N-CA 120.013 -0.675 . . . . 0.0 110.031 179.48 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.551 ' H ' ' CD ' ' A' ' 22' ' ' GLU . 3.1 m -104.26 158.44 16.45 Favored 'General case' 0 C--N 1.308 -1.214 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 176.359 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.524 ' CE ' ' HB ' ' A' ' 69' ' ' VAL . 2.4 mmtm -67.73 -7.09 24.41 Favored 'General case' 0 C--N 1.314 -0.969 0 C-N-CA 119.598 -0.841 . . . . 0.0 112.343 -172.313 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.466 ' HD2' ' HG2' ' A' ' 22' ' ' GLU . 1.6 ptpm? -66.58 -51.99 50.42 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.768 0.318 . . . . 0.0 110.557 176.418 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.695 ' HB2' HD11 ' A' ' 28' ' ' LEU . 71.5 mm-40 -70.44 -35.86 73.61 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.435 176.464 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.875 HD11 ' CD2' ' A' ' 77' ' ' LEU . 3.4 tm? -58.2 -44.17 87.95 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.23 -170.232 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -62.71 -45.51 92.43 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 119.656 -0.818 . . . . 0.0 110.152 178.577 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.44 ' O ' ' OG1' ' A' ' 39' ' ' THR . 98.7 mt-10 -67.28 -42.9 83.04 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.664 0.745 . . . . 0.0 109.622 178.678 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 32' ' ' GLU . 31.1 tp -61.0 -48.48 81.61 Favored 'General case' 0 C--N 1.305 -1.342 0 CA-C-N 114.631 -1.168 . . . . 0.0 112.005 -179.663 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.651 HD12 HD21 ' A' ' 77' ' ' LEU . 0.1 OUTLIER -62.43 -49.81 73.98 Favored 'General case' 0 C--N 1.318 -0.765 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.824 -176.174 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.436 ' HA ' HD22 ' A' ' 45' ' ' LEU . 16.0 pt20 -64.4 -41.89 96.39 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.199 0.523 . . . . 0.0 110.724 179.231 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.44 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 79.5 m -62.67 -52.06 64.8 Favored 'General case' 0 N--CA 1.439 -1.001 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.703 -177.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -76.46 -39.1 54.26 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 120.04 -0.664 . . . . 0.0 112.718 -176.279 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.8 mp -99.95 40.49 1.23 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.435 0.16 . . . . 0.0 110.958 -179.486 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 51.3 m -59.42 -40.93 88.3 Favored 'General case' 0 C--N 1.315 -0.919 0 C-N-CA 119.196 -1.001 . . . . 0.0 111.015 -178.04 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.06 -43.6 95.5 Favored Glycine 0 CA--C 1.527 0.825 0 N-CA-C 111.312 -0.715 . . . . 0.0 111.312 177.435 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -68.87 -43.24 75.77 Favored 'General case' 0 CA--C 1.509 -0.627 0 CA-C-O 121.059 0.457 . . . . 0.0 110.407 176.542 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.436 HD22 ' HA ' ' A' ' 38' ' ' GLN . 46.7 tp -60.95 -42.99 99.32 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.207 175.55 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.539 ' OD1' ' NZ ' ' A' ' 49' ' ' LYS . 30.3 t70 -61.55 -38.04 86.0 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.924 176.651 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.22 -43.31 70.92 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.685 179.235 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.541 ' O ' HG11 ' A' ' 54' ' ' VAL . 0.0 OUTLIER -115.31 58.23 0.72 Allowed 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 120.658 0.266 . . . . 0.0 111.281 -179.248 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.539 ' NZ ' ' OD1' ' A' ' 46' ' ' ASP . 50.4 mttp -65.23 -44.27 88.8 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 121.046 0.451 . . . . 0.0 109.907 178.804 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -113.88 2.36 15.06 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.196 -0.911 . . . . 0.0 113.277 -172.376 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.804 ' O ' HG12 ' A' ' 54' ' ' VAL . 62.9 t -59.8 137.37 22.31 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.895 0 C-N-CA 120.323 -0.551 . . . . 0.0 110.102 -178.559 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -55.62 -44.45 77.08 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.215 0.531 . . . . 0.0 110.108 -177.672 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.59 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -58.83 -39.51 81.45 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.539 -0.755 . . . . 0.0 112.243 -176.167 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.804 HG12 ' O ' ' A' ' 51' ' ' VAL . 7.6 p -59.07 -45.11 92.65 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 C-N-CA 119.018 -1.073 . . . . 0.0 111.511 -175.214 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.487 ' O ' ' N ' ' A' ' 59' ' ' LYS . 28.6 t70 -61.52 -42.83 99.4 Favored 'General case' 0 CA--C 1.496 -1.118 0 C-N-CA 119.781 -0.768 . . . . 0.0 109.727 177.737 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.1 mmtp -63.03 -43.42 98.76 Favored 'General case' 0 C--N 1.318 -0.79 0 C-N-CA 120.347 -0.541 . . . . 0.0 109.86 -178.47 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.722 HG12 HD12 ' A' ' 77' ' ' LEU . 80.1 t -64.48 -43.98 96.94 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.917 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 178.798 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 19.7 mmm -61.09 -40.6 94.34 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 176.224 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.532 ' O ' ' HG2' ' A' ' 63' ' ' GLU . 22.7 tptp -65.96 -46.49 77.92 Favored 'General case' 0 N--CA 1.434 -1.266 0 CA-C-N 114.861 -1.063 . . . . 0.0 110.224 -176.374 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -58.98 -40.71 85.63 Favored 'General case' 0 CA--C 1.516 -0.351 0 C-N-CA 119.924 -0.71 . . . . 0.0 111.013 179.112 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.74 ' HG ' HD13 ' A' ' 77' ' ' LEU . 1.7 mm? -62.13 -41.4 98.22 Favored 'General case' 0 C--N 1.313 -0.993 0 C-N-CA 119.854 -0.738 . . . . 0.0 109.29 174.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -65.26 -41.55 94.17 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.346 176.058 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.532 ' HG2' ' O ' ' A' ' 59' ' ' LYS . 64.3 mm-40 -61.04 -41.26 96.24 Favored 'General case' 0 CA--C 1.513 -0.442 0 N-CA-C 107.385 -1.339 . . . . 0.0 107.385 176.323 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.434 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . 12.0 t-20 -86.62 30.94 0.69 Allowed 'General case' 0 N--CA 1.443 -0.79 0 CA-C-N 114.946 -1.025 . . . . 0.0 110.366 174.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.418 ' HA2' ' HG3' ' A' ' 30' ' ' LYS . . . -94.03 20.39 47.8 Favored Glycine 0 N--CA 1.461 0.308 0 N-CA-C 109.024 -1.63 . . . . 0.0 109.024 176.77 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -60.46 -44.65 95.67 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.062 -0.569 . . . . 0.0 110.465 -175.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -125.52 -76.99 0.27 Allowed Glycine 0 C--O 1.241 0.534 0 N-CA-C 111.521 -0.632 . . . . 0.0 111.521 -178.4 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.475 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 2.1 mp0 -139.15 -163.45 1.48 Allowed 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 -179.031 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.686 HG23 ' HB2' ' A' ' 73' ' ' GLU . 1.8 p -133.7 129.8 55.58 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.232 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 170.111 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.0 -176.74 3.33 Favored 'General case' 0 C--N 1.31 -1.115 0 C-N-CA 119.988 -0.685 . . . . 0.0 111.003 -178.509 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.528 ' O ' HG13 ' A' ' 75' ' ' VAL . 53.1 t80 -60.54 -43.35 97.27 Favored 'General case' 0 C--N 1.302 -1.457 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.714 179.761 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -60.86 -43.55 98.23 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.026 179.268 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.686 ' HB2' HG23 ' A' ' 69' ' ' VAL . 82.4 mt-10 -65.38 -40.72 93.86 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 119.87 -0.732 . . . . 0.0 109.727 174.691 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.457 ' OH ' HD13 ' B' ' 4' ' ' LEU . 32.7 t80 -60.76 -48.63 80.91 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.008 -178.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.768 HG21 ' CB ' ' B' ' 79' ' ' ALA . 5.4 m -65.32 -42.89 94.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 C-N-CA 119.5 -0.88 . . . . 0.0 111.625 178.375 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.443 HG12 ' O ' ' A' ' 73' ' ' GLU . 0.8 OUTLIER -64.07 -39.49 85.65 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 C-N-CA 120.335 -0.546 . . . . 0.0 110.096 -177.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.875 ' CD2' HD11 ' A' ' 33' ' ' LEU . 49.8 tp -61.2 -49.55 76.72 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.953 178.686 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 17.1 m -70.89 -42.91 77.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 C-N-CA 119.835 -0.746 . . . . 0.0 110.878 177.522 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.878 ' CB ' HG21 ' B' ' 75' ' ' VAL . . . -61.08 -46.12 91.96 Favored 'General case' 0 CA--C 1.503 -0.85 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.086 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -54.75 -48.7 72.27 Favored 'General case' 0 CA--C 1.511 -0.545 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.484 HD11 HD11 ' A' ' 37' ' ' LEU . 95.7 mt -63.25 -41.31 99.05 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.896 175.747 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 16.3 m -61.72 -50.48 72.27 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.56 -0.456 . . . . 0.0 110.495 -179.441 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.474 HG11 ' HG3' ' B' ' 72' ' ' GLN . 10.7 p -63.7 -43.64 98.13 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 C-N-CA 120.174 -0.61 . . . . 0.0 110.263 177.714 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.88 -49.09 79.07 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.283 176.352 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 9.5 tpt -67.89 -46.15 72.44 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.535 -0.466 . . . . 0.0 111.125 178.648 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.452 ' HA ' ' CD2' ' A' ' 89' ' ' PHE . 2.8 m-80 -61.36 -27.72 68.71 Favored 'General case' 0 CA--C 1.503 -0.86 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.376 -179.514 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.403 ' OD1' ' CE2' ' B' ' 26' ' ' TYR . 37.8 t30 -57.94 -40.06 79.56 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 177.206 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.408 ' O ' ' CB ' ' A' ' 92' ' ' ASN . 69.5 m-85 -63.19 -39.49 94.8 Favored 'General case' 0 C--O 1.22 -0.454 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.663 174.79 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.452 ' CD2' ' HA ' ' A' ' 86' ' ' ASN . 14.0 m-30 -55.49 -51.18 67.84 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.871 -175.721 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 44.5 m95 -74.81 -44.0 51.68 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.337 -176.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -67.41 -40.47 85.57 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.699 179.414 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.408 ' CB ' ' O ' ' A' ' 88' ' ' PHE . 21.0 t-20 -66.65 106.99 1.97 Allowed 'General case' 0 CA--C 1.507 -0.689 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 179.296 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 15.1 m . . . . . 0 C--O 1.206 -1.212 0 CA-C-O 118.177 -0.916 . . . . 0.0 109.66 -173.743 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.241 0.557 0 N-CA-C 111.288 -0.725 . . . . 0.0 111.288 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 2' ' ' SER . . . . . 0.432 ' O ' ' N ' ' B' ' 5' ' ' GLU . 4.0 m -62.84 149.82 43.29 Favored 'General case' 0 C--N 1.314 -0.956 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 177.801 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.438 ' OE1' ' N ' ' B' ' 3' ' ' GLU . 3.2 mp0 -53.15 -28.0 23.95 Favored 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 179.515 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 1.064 HD11 HG21 ' A' ' 14' ' ' VAL . 41.2 mt -62.25 -41.68 98.65 Favored 'General case' 0 N--CA 1.439 -0.976 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.387 176.441 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' B' ' 2' ' ' SER . 47.3 mt-10 -62.76 -42.99 99.94 Favored 'General case' 0 N--CA 1.443 -0.808 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 177.82 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.409 ' O ' ' N ' ' B' ' 10' ' ' THR . 7.0 m -61.92 -45.08 95.27 Favored 'General case' 0 C--O 1.242 0.685 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 172.867 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.595 ' HB1' ' HB1' ' A' ' 7' ' ' ALA . . . -58.0 -45.76 86.31 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.923 179.454 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 8' ' ' MET . . . . . 0.512 ' SD ' HD12 ' B' ' 11' ' ' LEU . 94.8 mmm -64.13 -40.98 97.34 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.943 -0.392 . . . . 0.0 109.943 178.348 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.82 -37.87 89.07 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 119.745 -0.782 . . . . 0.0 109.624 174.708 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.409 ' N ' ' O ' ' B' ' 6' ' ' THR . 10.1 m -59.39 -43.38 92.94 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 175.797 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.773 HD23 ' CD1' ' A' ' 4' ' ' LEU . 84.2 mt -62.11 -41.74 98.53 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.92 174.766 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 23.4 mm -62.15 -43.79 98.27 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.633 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 179.19 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 40.0 m-80 -60.16 -44.05 95.32 Favored 'General case' 0 CA--C 1.505 -0.758 0 C-N-CA 120.435 -0.506 . . . . 0.0 111.387 -173.529 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.543 HG21 HD21 ' A' ' 4' ' ' LEU . 93.1 t -63.76 -48.84 84.65 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.914 0 C-N-CA 119.975 -0.69 . . . . 0.0 109.688 175.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.516 ' CE1' ' HB2' ' B' ' 28' ' ' LEU . 70.1 t80 -59.89 -49.55 77.27 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.236 179.465 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.481 ' ND1' ' O ' ' B' ' 25' ' ' LYS . 23.5 t60 -67.08 -42.76 84.11 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.97 178.284 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.491 ' O ' ' HG2' ' B' ' 21' ' ' LYS . . . -60.17 -49.43 77.67 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 176.612 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 78.8 m-70 -64.88 -35.15 80.2 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.862 176.306 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 21.9 m -56.51 -44.48 80.76 Favored 'General case' 0 C--O 1.243 0.721 0 N-CA-C 107.508 -1.293 . . . . 0.0 107.508 172.713 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.78 -41.26 99.88 Favored Glycine 0 C--O 1.242 0.594 0 CA-C-N 114.802 -1.09 . . . . 0.0 110.777 176.023 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.491 ' HG2' ' O ' ' B' ' 17' ' ' ALA . 74.5 mmtt -61.99 -47.2 85.85 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.622 -0.511 . . . . 0.0 109.622 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.579 ' CD ' ' H ' ' B' ' 29' ' ' SER . 98.8 mt-10 -72.87 -48.95 33.1 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.857 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 158.01 -45.55 0.47 Allowed Glycine 0 CA--C 1.532 1.108 0 C-N-CA 120.346 -0.931 . . . . 0.0 113.157 -178.067 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -66.42 147.28 53.53 Favored 'General case' 0 N--CA 1.478 0.966 0 CA-C-N 117.671 0.736 . . . . 0.0 111.153 -176.563 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.544 ' NZ ' ' CZ ' ' B' ' 26' ' ' TYR . 16.2 pttp -63.48 -37.39 87.11 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 120.518 -0.473 . . . . 0.0 110.072 176.282 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.544 ' CZ ' ' NZ ' ' B' ' 25' ' ' LYS . 2.8 p90 -158.23 92.04 1.14 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.064 169.57 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.515 ' HG2' ' O ' ' B' ' 26' ' ' TYR . 6.5 mmmm -163.7 157.4 19.13 Favored 'General case' 0 CA--C 1.495 -1.173 0 N-CA-C 106.159 -1.793 . . . . 0.0 106.159 168.134 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.516 ' HB2' ' CE1' ' B' ' 15' ' ' PHE . 38.5 tp -123.55 135.58 54.08 Favored 'General case' 0 C--N 1.292 -1.926 0 C-N-CA 119.987 -0.685 . . . . 0.0 109.847 -179.463 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.579 ' H ' ' CD ' ' B' ' 22' ' ' GLU . 2.1 m -102.54 177.47 4.85 Favored 'General case' 0 C--N 1.294 -1.838 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 178.756 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.408 ' HZ2' ' HG3' ' B' ' 30' ' ' LYS . 0.0 OUTLIER -76.03 -3.56 36.44 Favored 'General case' 0 C--N 1.304 -1.37 0 C-N-CA 120.047 -0.661 . . . . 0.0 109.312 177.296 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.437 ' HG3' ' HB2' ' B' ' 29' ' ' SER . 61.8 mttm -61.29 -45.35 94.84 Favored 'General case' 0 CA--C 1.51 -0.593 0 N-CA-C 108.183 -1.044 . . . . 0.0 108.183 -178.158 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.497 ' HB2' HD11 ' B' ' 28' ' ' LEU . 63.3 mm-40 -111.32 -28.94 8.01 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-N 114.236 -1.347 . . . . 0.0 111.559 -173.846 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.619 HD21 HD23 ' B' ' 77' ' ' LEU . 2.3 tm? -57.91 -50.75 72.28 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.517 -0.473 . . . . 0.0 111.63 -170.341 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 17.2 pttp -68.16 -39.67 82.52 Favored 'General case' 0 C--N 1.315 -0.928 0 C-N-CA 119.869 -0.733 . . . . 0.0 110.655 178.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -67.87 -43.88 78.36 Favored 'General case' 0 C--O 1.24 0.579 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.67 -179.405 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.603 HD12 ' C ' ' B' ' 36' ' ' LEU . 0.5 OUTLIER -78.91 -38.32 37.74 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.053 -0.522 . . . . 0.0 112.202 -178.221 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.679 HD21 HD22 ' B' ' 41' ' ' LEU . 2.3 tm? -59.62 -46.27 89.47 Favored 'General case' 0 CA--C 1.512 -0.484 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.005 -176.162 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.65 ' HB2' HD22 ' B' ' 45' ' ' LEU . 15.1 pt20 -63.07 -41.84 99.54 Favored 'General case' 0 C--N 1.316 -0.869 0 C-N-CA 119.921 -0.712 . . . . 0.0 109.468 175.443 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.459 ' N ' ' HG3' ' B' ' 38' ' ' GLN . 93.1 m -65.44 -53.16 46.79 Favored 'General case' 0 N--CA 1.437 -1.083 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.85 -176.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -69.78 -41.61 74.9 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -177.565 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.679 HD22 HD21 ' B' ' 37' ' ' LEU . 11.1 mp -95.45 37.57 1.18 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.13 0.491 . . . . 0.0 110.133 179.601 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -55.91 -34.56 65.69 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.652 -0.703 . . . . 0.0 111.569 -177.537 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.31 -51.8 35.47 Favored Glycine 0 C--O 1.242 0.648 0 N-CA-C 110.75 -0.94 . . . . 0.0 110.75 176.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.493 ' O ' ' HG2' ' B' ' 48' ' ' GLN . 44.2 m-85 -65.79 -41.58 91.8 Favored 'General case' 0 CA--C 1.494 -1.21 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 177.226 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.658 ' O ' HD12 ' B' ' 45' ' ' LEU . 1.4 tp -54.32 -46.54 72.87 Favored 'General case' 0 CA--C 1.499 -0.987 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.303 -177.269 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.59 ' O ' ' NZ ' ' B' ' 49' ' ' LYS . 13.0 t70 -60.79 -45.22 95.23 Favored 'General case' 0 C--N 1.3 -1.575 0 C-N-CA 119.852 -0.739 . . . . 0.0 111.022 176.167 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.37 -39.74 92.66 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 -179.466 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.605 ' NE2' HD22 ' B' ' 81' ' ' LEU . 0.0 OUTLIER -78.85 -5.95 54.81 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 -174.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.59 ' NZ ' ' O ' ' B' ' 46' ' ' ASP . 5.6 mtmp? -58.49 -41.62 85.73 Favored 'General case' 0 CA--C 1.516 -0.346 0 C-N-CA 119.538 -0.865 . . . . 0.0 109.953 -177.238 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -95.18 16.37 16.7 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.764 -177.653 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 51' ' ' VAL . . . . . 0.565 ' C ' ' H ' ' B' ' 53' ' ' ALA . 22.7 t -109.38 -15.56 9.48 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 N-CA-C 111.853 0.316 . . . . 0.0 111.853 -177.531 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 30.0 t70 59.05 -23.3 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 -178.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.565 ' H ' ' C ' ' B' ' 51' ' ' VAL . . . -51.87 -35.64 45.71 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-O 120.809 0.337 . . . . 0.0 110.57 -178.638 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.486 ' HA ' HD21 ' B' ' 81' ' ' LEU . 7.1 p -60.3 -40.09 82.8 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.406 178.632 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' B' ' 59' ' ' LYS . 33.2 t70 -57.41 -48.32 79.41 Favored 'General case' 0 CA--C 1.513 -0.467 0 C-N-CA 120.093 -0.643 . . . . 0.0 110.45 179.594 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.49 -43.55 96.92 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.998 179.689 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.518 HG12 HD12 ' B' ' 77' ' ' LEU . 95.4 t -63.83 -46.45 94.31 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.654 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 178.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 62.7 ttp -60.31 -43.3 96.47 Favored 'General case' 0 N--CA 1.429 -1.479 0 CA-C-N 114.819 -1.082 . . . . 0.0 109.853 175.209 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 59' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' B' ' 55' ' ' ASP . 14.0 tptp -62.71 -45.58 92.09 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.006 -178.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -69.54 -43.89 72.05 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.554 178.75 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.408 HD11 HG23 ' B' ' 76' ' ' VAL . 3.0 mm? -64.88 -38.58 91.45 Favored 'General case' 0 C--O 1.24 0.596 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.503 178.537 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -57.06 -29.72 63.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.21 -177.158 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -54.58 -58.36 7.79 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 177.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 64' ' ' ASN . . . . . 0.492 ' C ' ' H ' ' B' ' 66' ' ' ASP . 80.3 m-20 -64.42 -40.95 96.76 Favored 'General case' 0 CA--C 1.504 -0.789 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.237 175.01 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -69.23 39.04 0.33 Allowed Glycine 0 C--N 1.32 -0.318 0 N-CA-C 111.32 -0.712 . . . . 0.0 111.32 -178.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.492 ' H ' ' C ' ' B' ' 64' ' ' ASN . 35.3 t70 -61.74 -42.35 98.85 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 177.833 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -134.17 -72.61 0.08 OUTLIER Glycine 0 C--N 1.317 -0.479 0 N-CA-C 109.475 -1.45 . . . . 0.0 109.475 176.216 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -91.44 152.63 20.3 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.81 0.338 . . . . 0.0 110.827 176.601 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.54 HG23 ' HB3' ' B' ' 73' ' ' GLU . 1.7 p -127.22 125.86 66.87 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 N-CA-C 107.221 -1.399 . . . . 0.0 107.221 168.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.5 ' CG ' ' N ' ' B' ' 71' ' ' PHE . 14.4 t70 -91.21 172.63 8.42 Favored 'General case' 0 C--N 1.308 -1.201 0 C-N-CA 120.117 -0.633 . . . . 0.0 111.428 -171.815 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.595 ' O ' HG22 ' B' ' 75' ' ' VAL . 52.7 t80 -59.39 -43.41 92.94 Favored 'General case' 0 C--N 1.314 -0.955 0 N-CA-C 108.45 -0.945 . . . . 0.0 108.45 -179.72 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.474 ' HG3' HG11 ' A' ' 83' ' ' VAL . 34.5 mt-30 -59.1 -38.34 79.29 Favored 'General case' 0 N--CA 1.437 -1.076 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.144 175.346 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.54 ' HB3' HG23 ' B' ' 69' ' ' VAL . 62.4 mm-40 -69.66 -42.71 73.83 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.62 0.724 . . . . 0.0 110.04 173.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 33.9 t80 -61.38 -47.18 87.0 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.188 -0.914 . . . . 0.0 111.803 -177.336 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.878 HG21 ' CB ' ' A' ' 79' ' ' ALA . 18.0 m -64.68 -41.36 92.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 C-N-CA 120.25 -0.58 . . . . 0.0 111.741 -178.324 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.424 HG22 ' O ' ' B' ' 73' ' ' GLU . 23.6 m -65.79 -37.43 79.9 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.111 0 C-N-CA 120.245 -0.582 . . . . 0.0 111.073 178.282 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.619 HD23 HD21 ' B' ' 33' ' ' LEU . 48.3 tp -60.83 -48.81 80.09 Favored 'General case' 0 CA--C 1.511 -0.521 0 C-N-CA 120.15 -0.62 . . . . 0.0 110.08 178.666 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.478 ' HB ' HD21 ' B' ' 41' ' ' LEU . 13.9 m -70.25 -42.25 78.87 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.7 0 C-N-CA 120.023 -0.671 . . . . 0.0 111.295 176.757 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.768 ' CB ' HG21 ' A' ' 75' ' ' VAL . . . -64.32 -42.62 96.21 Favored 'General case' 0 CA--C 1.503 -0.861 0 C-N-CA 120.606 -0.438 . . . . 0.0 111.195 179.576 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 80' ' ' ALA . . . . . 0.405 ' O ' HG12 ' B' ' 83' ' ' VAL . . . -59.43 -44.61 92.86 Favored 'General case' 0 N--CA 1.444 -0.759 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 179.549 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.605 HD22 ' NE2' ' B' ' 48' ' ' GLN . 99.6 mt -62.88 -43.18 99.49 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.426 175.122 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.428 ' O ' ' HB2' ' B' ' 86' ' ' ASN . 17.6 m -63.03 -49.68 73.66 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.728 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.405 HG12 ' O ' ' B' ' 80' ' ' ALA . 1.6 p -64.01 -44.31 97.81 Favored 'Isoleucine or valine' 0 C--O 1.238 0.475 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.772 -179.472 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -58.82 -52.41 65.83 Favored 'General case' 0 C--O 1.238 0.473 0 C-N-CA 120.709 -0.397 . . . . 0.0 110.262 178.074 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 85' ' ' MET . . . . . 0.426 ' SD ' HG21 ' B' ' 51' ' ' VAL . 94.5 mmm -65.31 -41.7 93.77 Favored 'General case' 0 CA--C 1.515 -0.382 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.788 178.033 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.462 ' HA ' ' HB2' ' B' ' 89' ' ' PHE . 10.8 m-80 -62.18 -41.05 97.96 Favored 'General case' 0 CA--C 1.495 -1.142 0 C-N-CA 120.452 -0.499 . . . . 0.0 111.85 178.132 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 87' ' ' ASN . . . . . 0.409 ' HA ' ' CE2' ' A' ' 26' ' ' TYR . 14.5 t-20 -56.67 -43.61 80.58 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 119.31 -0.956 . . . . 0.0 109.085 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.544 ' O ' ' N ' ' B' ' 92' ' ' ASN . 65.2 m-85 -67.75 -41.69 82.98 Favored 'General case' 0 C--O 1.219 -0.507 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.906 173.685 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 89' ' ' PHE . . . . . 0.462 ' HB2' ' HA ' ' B' ' 86' ' ' ASN . 3.9 t80 -57.72 -49.59 76.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.683 -170.151 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 90' ' ' TRP . . . . . 0.508 ' CH2' ' CD2' ' A' ' 16' ' ' HIS . 97.6 m95 -66.08 -38.53 88.49 Favored 'General case' 0 CA--C 1.492 -1.267 0 CA-C-O 121.618 0.723 . . . . 0.0 109.494 -177.516 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -68.87 -39.02 80.07 Favored 'General case' 0 C--N 1.305 -1.346 0 CA-C-N 114.415 -1.266 . . . . 0.0 109.436 175.534 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 92' ' ' ASN . . . . . 0.544 ' N ' ' O ' ' B' ' 88' ' ' PHE . 29.0 t-20 -52.48 116.02 2.06 Favored 'General case' 0 CA--C 1.501 -0.917 0 CA-C-N 115.265 -0.879 . . . . 0.0 111.083 -174.006 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 3.6 m . . . . . 0 C--O 1.2 -1.536 0 CA-C-N 114.891 -1.05 . . . . 0.0 108.954 -176.632 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.476 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -70.12 164.67 23.64 Favored 'General case' 0 C--O 1.248 0.995 0 CA-C-O 120.838 0.352 . . . . 0.0 110.741 -178.789 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 54.5 mp0 -58.09 -38.27 76.1 Favored 'General case' 0 C--N 1.313 -1.017 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 176.021 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.899 HD21 HG21 ' B' ' 14' ' ' VAL . 1.2 mm? -60.55 -45.39 94.06 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 178.458 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.469 ' HG2' ' CD2' ' B' ' 44' ' ' PHE . 95.3 mt-10 -65.76 -41.12 92.49 Favored 'General case' 0 C--N 1.316 -0.884 0 C-N-CA 119.756 -0.778 . . . . 0.0 109.31 176.485 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.2 m -62.47 -48.95 77.38 Favored 'General case' 0 C--O 1.245 0.848 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.396 177.686 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.82 -48.55 81.31 Favored 'General case' 0 CA--C 1.509 -0.629 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 178.454 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.563 ' HG2' ' O ' ' A' ' 4' ' ' LEU . 96.5 mmm -63.56 -40.41 96.91 Favored 'General case' 0 N--CA 1.444 -0.772 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.536 -179.804 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -62.5 -35.99 81.1 Favored 'General case' 0 C--O 1.241 0.647 0 C-N-CA 120.108 -0.637 . . . . 0.0 111.2 174.194 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 17.4 m -57.49 -44.43 84.92 Favored 'General case' 0 C--N 1.312 -1.053 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 176.655 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 1.055 HD23 HD22 ' B' ' 4' ' ' LEU . 90.0 mt -63.95 -40.83 97.33 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.88 174.455 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.484 HD12 ' HZ2' ' B' ' 90' ' ' TRP . 20.7 mm -62.21 -43.74 98.28 Favored 'Isoleucine or valine' 0 C--O 1.237 0.401 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 -179.493 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 66.1 m-20 -61.08 -43.15 99.32 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.973 -176.044 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 1.029 HG21 HD11 ' B' ' 4' ' ' LEU . 86.1 t -65.33 -43.24 95.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.462 175.305 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.561 ' CE1' ' HB2' ' A' ' 28' ' ' LEU . 62.6 t80 -56.92 -48.07 79.13 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.506 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -59.84 -44.45 94.08 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-N 116.258 -0.428 . . . . 0.0 112.117 176.693 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.88 -47.9 76.53 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 -179.178 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.531 ' NE2' ' HB2' ' A' ' 36' ' ' LEU . 89.8 m-70 -68.87 -37.05 78.8 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.902 177.316 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 74.1 m -54.88 -40.93 70.26 Favored 'General case' 0 C--O 1.242 0.71 0 N-CA-C 108.307 -0.998 . . . . 0.0 108.307 173.235 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.55 -42.62 97.8 Favored Glycine 0 N--CA 1.45 -0.406 0 N-CA-C 109.932 -1.267 . . . . 0.0 109.932 174.743 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 60.3 mttm -67.75 -45.57 74.56 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 120.604 0.24 . . . . 0.0 111.37 179.348 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.43 ' OE2' ' N ' ' A' ' 24' ' ' ASP . 0.0 OUTLIER -68.91 -37.24 78.82 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.92 -175.575 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 125.23 -30.44 4.54 Favored Glycine 0 N--CA 1.467 0.757 0 CA-C-N 116.35 -0.386 . . . . 0.0 113.046 175.507 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.43 ' N ' ' OE2' ' A' ' 22' ' ' GLU . 16.8 t70 -66.85 153.35 43.65 Favored 'General case' 0 CA--C 1.509 -0.621 0 CA-C-N 117.374 0.587 . . . . 0.0 111.434 -177.333 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.427 ' HD2' ' CE2' ' A' ' 26' ' ' TYR . 32.1 pttt -57.55 -44.49 85.25 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.054 177.059 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.427 ' CE2' ' HD2' ' A' ' 25' ' ' LYS . 4.3 p90 -158.54 92.69 1.15 Allowed 'General case' 0 C--N 1.315 -0.9 0 CA-C-O 121.646 0.736 . . . . 0.0 110.289 171.819 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.416 ' HG2' ' O ' ' A' ' 26' ' ' TYR . 36.0 mmtm -160.58 164.83 31.65 Favored 'General case' 0 C--N 1.307 -1.266 0 CA-C-N 114.044 -1.435 . . . . 0.0 108.259 174.544 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.561 ' HB2' ' CE1' ' A' ' 15' ' ' PHE . 36.0 tp -124.37 129.1 50.09 Favored 'General case' 0 C--N 1.294 -1.825 0 N-CA-C 107.575 -1.268 . . . . 0.0 107.575 173.383 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 94.7 p -82.9 165.2 19.95 Favored 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 178.149 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.681 ' HD2' HG12 ' A' ' 69' ' ' VAL . 0.0 OUTLIER -74.85 -6.12 47.33 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 117.913 -1.515 . . . . 0.0 108.51 178.712 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 25.0 mttm -71.46 -59.01 2.99 Favored 'General case' 0 CA--C 1.516 -0.339 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 177.653 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -65.94 -39.42 90.46 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 114.652 -1.158 . . . . 0.0 110.003 179.437 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.989 HD11 HD22 ' A' ' 77' ' ' LEU . 2.2 tm? -60.01 -47.73 84.64 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.621 -174.594 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.51 ' NZ ' ' OD2' ' A' ' 62' ' ' ASP . 4.6 mmmm -67.23 -43.86 80.93 Favored 'General case' 0 C--N 1.312 -1.044 0 C-N-CA 120.209 -0.597 . . . . 0.0 111.384 178.475 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.425 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 68.3 mm-40 -72.13 -43.8 64.14 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.404 -177.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.591 ' C ' HD12 ' A' ' 36' ' ' LEU . 0.3 OUTLIER -66.89 -40.72 87.83 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.457 -0.497 . . . . 0.0 111.867 179.575 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.722 HD23 HG12 ' A' ' 78' ' ' VAL . 2.0 tm? -60.1 -47.73 84.67 Favored 'General case' 0 CA--C 1.511 -0.523 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.61 -175.404 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.461 ' HA ' HD22 ' A' ' 45' ' ' LEU . 13.3 pt20 -64.84 -42.55 94.82 Favored 'General case' 0 C--N 1.309 -1.157 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.878 176.218 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 96.3 m -63.6 -52.58 60.31 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.823 -177.661 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.638 ' HB3' HD12 ' B' ' 4' ' ' LEU . 69.7 mm-40 -73.1 -38.43 66.35 Favored 'General case' 0 N--CA 1.465 0.275 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -175.346 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.407 ' N ' HD12 ' A' ' 41' ' ' LEU . 10.8 mp -103.73 40.2 1.47 Allowed 'General case' 0 C--O 1.24 0.595 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.575 -175.75 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -55.82 -39.37 71.28 Favored 'General case' 0 C--N 1.307 -1.266 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.865 -176.878 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.38 -46.44 86.16 Favored Glycine 0 N--CA 1.449 -0.442 0 N-CA-C 111.368 -0.693 . . . . 0.0 111.368 178.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.646 ' HA ' ' SD ' ' A' ' 85' ' ' MET . 32.9 m-85 -66.0 -43.36 87.93 Favored 'General case' 0 CA--C 1.496 -1.122 0 CA-C-O 121.382 0.61 . . . . 0.0 109.624 176.095 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.461 HD22 ' HA ' ' A' ' 38' ' ' GLN . 22.3 tp -61.21 -48.38 81.79 Favored 'General case' 0 N--CA 1.429 -1.51 0 CA-C-N 114.99 -1.005 . . . . 0.0 110.877 176.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.402 ' N ' ' O ' ' A' ' 42' ' ' SER . 7.2 m-20 -66.4 -39.53 89.09 Favored 'General case' 0 C--N 1.312 -1.055 0 N-CA-C 112.57 0.582 . . . . 0.0 112.57 177.669 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.825 ' HB3' ' SD ' ' A' ' 85' ' ' MET . . . -56.83 -45.97 82.01 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.905 0.383 . . . . 0.0 110.913 -175.751 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.54 ' HB2' ' HB ' ' A' ' 51' ' ' VAL . 1.0 OUTLIER -116.58 40.87 2.81 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 121.233 0.54 . . . . 0.0 109.554 177.516 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.5 tttp -61.53 -43.21 99.28 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 -175.449 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 59.7 m-20 -93.43 -0.16 56.57 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 114.332 -1.304 . . . . 0.0 112.345 -176.508 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.773 ' O ' HG12 ' A' ' 54' ' ' VAL . 61.7 t -84.59 133.03 30.19 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.545 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 -178.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -54.78 -32.77 60.54 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -176.097 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.473 ' H ' HG12 ' A' ' 51' ' ' VAL . . . -53.49 -37.04 62.34 Favored 'General case' 0 C--N 1.317 -0.805 0 C-N-CA 120.98 -0.288 . . . . 0.0 111.324 -176.632 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.773 HG12 ' O ' ' A' ' 51' ' ' VAL . 8.3 p -61.43 -36.67 74.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 C-N-CA 120.611 -0.435 . . . . 0.0 109.922 -178.585 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -59.02 -44.12 91.66 Favored 'General case' 0 CA--C 1.5 -0.956 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 177.606 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -63.48 -44.75 93.5 Favored 'General case' 0 CA--C 1.489 -1.376 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.31 -177.548 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.766 HG11 ' HG ' ' A' ' 81' ' ' LEU . 99.8 t -61.73 -45.27 99.05 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.244 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 179.431 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 13.9 mmm -63.54 -44.84 93.05 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.196 178.712 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.477 ' NZ ' ' OE2' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -68.39 -48.52 64.48 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.228 -178.228 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -66.58 -42.5 86.88 Favored 'General case' 0 N--CA 1.438 -1.067 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.851 -174.257 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.793 ' HG ' HD13 ' A' ' 77' ' ' LEU . 4.5 mm? -63.51 -39.82 95.43 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 119.864 -0.734 . . . . 0.0 110.443 170.099 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.51 ' OD2' ' NZ ' ' A' ' 34' ' ' LYS . 49.8 m-20 -62.58 -18.31 61.87 Favored 'General case' 0 CA--C 1.515 -0.393 0 C-N-CA 120.769 -0.372 . . . . 0.0 111.372 179.581 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.477 ' OE2' ' NZ ' ' A' ' 59' ' ' LYS . 81.0 mm-40 -59.43 -36.27 75.58 Favored 'General case' 0 CA--C 1.511 -0.532 0 N-CA-C 107.399 -1.334 . . . . 0.0 107.399 173.272 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.513 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . 38.5 t-20 -108.45 35.95 3.0 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 114.955 -1.02 . . . . 0.0 108.787 174.29 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.488 ' HA2' ' HE2' ' A' ' 30' ' ' LYS . . . -94.79 20.03 50.84 Favored Glycine 0 C--O 1.228 -0.266 0 N-CA-C 109.917 -1.273 . . . . 0.0 109.917 179.713 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -63.85 -39.83 95.14 Favored 'General case' 0 C--N 1.313 -1.002 0 N-CA-C 112.921 0.711 . . . . 0.0 112.921 -175.582 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -161.46 -70.95 0.02 OUTLIER Glycine 0 CA--C 1.527 0.809 0 C-N-CA 119.71 -1.233 . . . . 0.0 113.947 -176.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.405 ' C ' ' HD3' ' A' ' 30' ' ' LYS . 0.4 OUTLIER -113.16 154.14 27.15 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 -173.9 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.977 HG23 ' HB2' ' A' ' 73' ' ' GLU . 0.2 OUTLIER -130.32 132.75 64.75 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 C-N-CA 123.73 0.812 . . . . 0.0 109.431 173.046 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.36 -173.39 3.05 Favored 'General case' 0 C--N 1.312 -1.05 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 178.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.504 ' HB3' ' HB ' ' B' ' 83' ' ' VAL . 29.9 t80 -61.33 -43.24 99.2 Favored 'General case' 0 C--N 1.301 -1.533 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.849 178.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -59.27 -45.61 90.75 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.37 179.555 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.977 ' HB2' HG23 ' A' ' 69' ' ' VAL . 81.6 mt-10 -65.71 -39.27 91.04 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 119.723 -0.791 . . . . 0.0 109.555 175.836 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -61.11 -48.74 80.25 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.483 -179.007 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.863 HG21 ' CB ' ' B' ' 79' ' ' ALA . 32.8 m -66.52 -40.64 86.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 -178.277 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.429 ' O ' ' N ' ' A' ' 80' ' ' ALA . 14.7 p -63.85 -39.14 84.35 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 C-N-CA 120.446 -0.502 . . . . 0.0 110.288 -177.842 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.989 HD22 HD11 ' A' ' 33' ' ' LEU . 44.2 tp -61.34 -49.44 76.95 Favored 'General case' 0 CA--C 1.513 -0.45 0 C-N-CA 120.684 -0.407 . . . . 0.0 110.902 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.722 HG12 HD23 ' A' ' 37' ' ' LEU . 29.9 m -68.12 -42.68 85.18 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.823 0 C-N-CA 119.877 -0.729 . . . . 0.0 109.989 178.837 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.942 ' CB ' HG21 ' B' ' 75' ' ' VAL . . . -64.03 -39.54 94.33 Favored 'General case' 0 CA--C 1.506 -0.736 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.233 179.141 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 76' ' ' VAL . . . -57.31 -47.21 82.1 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 -178.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.766 ' HG ' HG11 ' A' ' 57' ' ' VAL . 93.9 mt -63.04 -41.14 99.44 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.42 173.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.526 HG22 HD11 ' B' ' 12' ' ' ILE . 20.6 m -60.74 -51.94 67.21 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.688 -178.685 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.447 HG11 ' HG3' ' B' ' 72' ' ' GLN . 7.2 p -63.85 -43.19 97.76 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.552 0 C-N-CA 119.88 -0.728 . . . . 0.0 110.509 178.816 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.54 -49.61 76.84 Favored 'General case' 0 N--CA 1.441 -0.882 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 179.121 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.825 ' SD ' ' HB3' ' A' ' 47' ' ' ALA . 26.2 ttp -73.29 -44.69 58.7 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 120.162 -0.615 . . . . 0.0 111.28 -178.421 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.422 ' HB3' ' NE1' ' A' ' 90' ' ' TRP . 10.8 m120 -61.94 -33.97 75.25 Favored 'General case' 0 CA--C 1.503 -0.858 0 C-N-CA 121.027 -0.269 . . . . 0.0 110.886 -176.493 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.497 ' HA ' ' CE3' ' A' ' 90' ' ' TRP . 36.8 t30 -49.97 -35.14 23.16 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.033 175.761 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.495 ' O ' ' N ' ' A' ' 92' ' ' ASN . 29.8 m-85 -61.34 -44.17 97.63 Favored 'General case' 0 C--O 1.222 -0.351 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 176.293 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.403 ' O ' ' O ' ' A' ' 92' ' ' ASN . 20.8 m-85 -64.49 -40.04 94.92 Favored 'General case' 0 CA--C 1.511 -0.532 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.793 176.628 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.729 ' HZ2' HD12 ' B' ' 12' ' ' ILE . 38.2 m0 -59.06 -47.26 85.88 Favored 'General case' 0 C--N 1.313 -1.004 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 -179.004 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -72.3 -42.86 65.0 Favored 'General case' 0 C--N 1.308 -1.213 0 CA-C-N 114.884 -1.053 . . . . 0.0 112.298 175.023 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.495 ' N ' ' O ' ' A' ' 88' ' ' PHE . 20.4 t30 -84.34 97.1 9.28 Favored 'General case' 0 CA--C 1.499 -1.008 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 177.36 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.6 m . . . . . 0 C--N 1.312 -1.046 0 CA-C-O 118.022 -0.989 . . . . 0.0 109.403 -174.086 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.357 0 N-CA-C 109.915 -1.274 . . . . 0.0 109.915 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 4.8 m -64.2 157.43 25.76 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-O 120.929 0.395 . . . . 0.0 110.865 -177.209 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.412 ' H ' ' CD ' ' B' ' 3' ' ' GLU . 54.9 mp0 -51.73 -17.96 1.07 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.147 -177.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 1.055 HD22 HD23 ' A' ' 11' ' ' LEU . 96.0 mt -61.52 -41.84 97.92 Favored 'General case' 0 N--CA 1.44 -0.949 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.855 -178.042 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -62.01 -45.94 91.37 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 120.207 -0.597 . . . . 0.0 110.01 178.375 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 7.4 m -63.29 -45.85 89.49 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.061 0.458 . . . . 0.0 109.985 175.731 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.8 -46.79 77.92 Favored 'General case' 0 CA--C 1.513 -0.471 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 178.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 8' ' ' MET . . . . . 0.5 ' SD ' HD11 ' A' ' 11' ' ' LEU . 95.5 mmm -63.31 -41.08 98.91 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.208 179.647 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -66.01 -35.69 81.25 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 119.037 -1.065 . . . . 0.0 110.279 175.034 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.533 ' O ' HG23 ' B' ' 14' ' ' VAL . 10.5 m -57.62 -43.44 84.76 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 177.474 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.722 ' CD2' HD13 ' A' ' 4' ' ' LEU . 94.7 mt -61.9 -42.76 99.46 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.327 175.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.729 HD12 ' HZ2' ' A' ' 90' ' ' TRP . 22.5 mm -62.84 -45.38 98.99 Favored 'Isoleucine or valine' 0 C--O 1.24 0.588 0 CA-C-O 121.186 0.517 . . . . 0.0 110.209 -178.157 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 60.7 m-80 -64.35 -41.22 96.86 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.32 -179.519 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.899 HG21 HD21 ' A' ' 4' ' ' LEU . 90.7 t -66.63 -43.78 90.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 176.339 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -58.53 -47.39 84.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.467 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.476 ' HA ' ' OG ' ' B' ' 19' ' ' SER . 23.4 m-70 -78.16 -15.44 58.84 Favored 'General case' 0 C--O 1.24 0.558 0 N-CA-C 113.364 0.876 . . . . 0.0 113.364 -178.216 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.48 -34.98 69.6 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 175.119 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.408 ' O ' ' HB2' ' B' ' 21' ' ' LYS . 92.3 m-70 -89.06 -23.84 22.46 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 114.928 -1.033 . . . . 0.0 112.014 177.095 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.476 ' OG ' ' HA ' ' B' ' 16' ' ' HIS . 73.9 m -54.71 -37.77 66.26 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 120.445 -0.502 . . . . 0.0 109.998 178.845 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.18 -27.41 70.53 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 110.641 -0.984 . . . . 0.0 110.641 178.223 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.41 ' HB2' ' HG3' ' B' ' 32' ' ' GLU . 14.6 mmtp -67.15 -43.81 81.36 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 112.913 0.709 . . . . 0.0 112.913 -172.496 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.424 ' OE1' ' N ' ' B' ' 23' ' ' GLY . 0.0 OUTLIER -143.11 -63.67 0.41 Allowed 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 -176.605 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 23' ' ' GLY . . . . . 0.424 ' N ' ' OE1' ' B' ' 22' ' ' GLU . . . -61.46 -166.11 0.37 Allowed Glycine 0 CA--C 1.528 0.854 0 CA-C-N 115.602 -0.726 . . . . 0.0 113.401 -170.481 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.474 ' CG ' ' N ' ' B' ' 25' ' ' LYS . 32.7 t70 -64.33 175.24 1.37 Allowed 'General case' 0 C--O 1.237 0.403 0 C-N-CA 123.237 0.615 . . . . 0.0 110.822 -179.263 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.474 ' N ' ' CG ' ' B' ' 24' ' ' ASP . 8.6 pttm -51.84 -41.19 61.63 Favored 'General case' 0 C--O 1.24 0.566 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 176.266 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.567 ' CD1' ' HB3' ' A' ' 90' ' ' TRP . 0.0 OUTLIER -126.52 92.09 3.49 Favored 'General case' 0 N--CA 1.445 -0.722 0 C-N-CA 119.629 -0.828 . . . . 0.0 110.337 168.318 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.612 ' NZ ' ' HB3' ' B' ' 70' ' ' ASP . 0.6 OUTLIER -167.01 179.69 5.09 Favored 'General case' 0 C--N 1.31 -1.132 0 C-N-CA 124.795 1.238 . . . . 0.0 107.957 169.591 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.557 HD11 ' HB2' ' B' ' 32' ' ' GLU . 48.0 tp -146.03 132.64 19.86 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 173.229 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 2.5 m -83.52 158.26 22.06 Favored 'General case' 0 C--N 1.314 -0.948 0 C-N-CA 119.605 -0.838 . . . . 0.0 109.025 177.382 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.559 ' NZ ' ' O ' ' B' ' 64' ' ' ASN . 0.3 OUTLIER -66.98 -5.82 14.36 Favored 'General case' 0 C--O 1.246 0.869 0 C-N-CA 120.014 -0.674 . . . . 0.0 109.623 179.535 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 46.9 mttm -65.85 -67.16 0.46 Allowed 'General case' 0 CA--C 1.514 -0.41 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.053 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.557 ' HB2' HD11 ' B' ' 28' ' ' LEU . 66.2 mm-40 -65.76 -36.15 82.75 Favored 'General case' 0 N--CA 1.434 -1.258 0 CA-C-N 114.609 -1.178 . . . . 0.0 110.857 -179.682 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.911 HD11 ' CD2' ' B' ' 77' ' ' LEU . 1.8 tm? -57.15 -49.23 76.59 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 -168.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.494 ' NZ ' ' O ' ' B' ' 30' ' ' LYS . 38.5 mtmm -63.77 -43.91 94.96 Favored 'General case' 0 C--N 1.317 -0.832 0 C-N-CA 118.972 -1.091 . . . . 0.0 109.37 -179.024 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.726 ' O ' HG22 ' B' ' 39' ' ' THR . 92.0 mt-10 -68.65 -40.53 80.19 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-N 114.324 -1.307 . . . . 0.0 109.79 -178.639 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.502 ' HB3' ' O ' ' B' ' 32' ' ' GLU . 3.6 tp -62.54 -45.63 92.07 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.114 -0.948 . . . . 0.0 110.371 171.617 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.856 HD11 ' CD1' ' B' ' 81' ' ' LEU . 2.6 tm? -63.15 -45.78 90.25 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.943 -178.205 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.439 ' HG2' ' O ' ' B' ' 35' ' ' GLU . 21.1 pt20 -64.27 -46.0 85.59 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.061 -0.656 . . . . 0.0 112.462 -177.002 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.726 HG22 ' O ' ' B' ' 35' ' ' GLU . 0.5 OUTLIER -61.77 -51.76 67.01 Favored 'General case' 0 C--O 1.244 0.809 0 C-N-CA 119.632 -0.827 . . . . 0.0 111.394 -177.148 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.486 ' HB3' ' HG ' ' A' ' 4' ' ' LEU . 40.1 mm-40 -69.58 -36.46 76.27 Favored 'General case' 0 N--CA 1.439 -0.978 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -174.142 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.409 HD22 HD21 ' B' ' 37' ' ' LEU . 9.3 mp -102.77 28.66 5.94 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.532 179.396 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 30.8 m -52.61 -42.13 64.31 Favored 'General case' 0 C--O 1.242 0.676 0 CA-C-O 120.823 0.344 . . . . 0.0 110.721 -178.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -61.75 -44.65 97.61 Favored Glycine 0 N--CA 1.449 -0.452 0 N-CA-C 110.704 -0.958 . . . . 0.0 110.704 179.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.703 ' CE2' HG23 ' B' ' 82' ' ' THR . 14.0 m-85 -73.12 -45.63 55.84 Favored 'General case' 0 CA--C 1.501 -0.913 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.452 176.291 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.653 HD12 HE21 ' B' ' 48' ' ' GLN . 15.2 tp -61.62 -49.95 74.54 Favored 'General case' 0 C--N 1.312 -1.028 0 N-CA-C 114.059 1.133 . . . . 0.0 114.059 -172.157 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.45 ' OD1' ' NZ ' ' B' ' 49' ' ' LYS . 21.9 t70 -65.55 -36.9 85.14 Favored 'General case' 0 C--N 1.306 -1.31 0 C-N-CA 120.189 -0.604 . . . . 0.0 110.9 -177.355 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.64 -34.97 78.13 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.381 178.31 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.653 HE21 HD12 ' B' ' 45' ' ' LEU . 2.7 pp0? -103.62 15.06 29.82 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 -172.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.45 ' NZ ' ' OD1' ' B' ' 46' ' ' ASP . 91.3 mttt -59.09 -40.29 84.83 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 120.722 -0.391 . . . . 0.0 111.809 179.246 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -98.75 22.77 9.58 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-O 120.734 0.302 . . . . 0.0 111.623 -175.513 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 51' ' ' VAL . . . . . 0.634 ' O ' HG12 ' B' ' 51' ' ' VAL . 45.9 t -104.38 14.6 6.86 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.392 -179.532 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.407 ' OD2' ' NZ ' ' B' ' 56' ' ' LYS . 19.8 t70 60.84 -46.94 0.11 Allowed 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 112.763 0.653 . . . . 0.0 112.763 176.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.476 ' N ' ' O ' ' B' ' 51' ' ' VAL . . . -48.49 -34.53 11.34 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.812 -174.206 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.462 ' HB ' ' OE1' ' B' ' 48' ' ' GLN . 14.7 p -52.56 -37.57 24.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 179.297 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.471 ' OD1' ' NZ ' ' B' ' 59' ' ' LYS . 33.7 t70 -61.48 -48.06 82.81 Favored 'General case' 0 CA--C 1.51 -0.579 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.67 176.279 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 56' ' ' LYS . . . . . 0.407 ' NZ ' ' OD2' ' B' ' 52' ' ' ASP . 41.0 mttp -65.42 -43.33 90.86 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.487 -178.692 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.529 HG11 ' HG ' ' B' ' 81' ' ' LEU . 70.5 t -64.44 -44.73 97.06 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-N 115.121 -0.945 . . . . 0.0 108.649 178.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 65.9 ttp -60.58 -38.84 85.96 Favored 'General case' 0 N--CA 1.43 -1.455 0 CA-C-N 114.346 -1.297 . . . . 0.0 109.549 173.625 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 59' ' ' LYS . . . . . 0.471 ' NZ ' ' OD1' ' B' ' 55' ' ' ASP . 0.4 OUTLIER -59.95 -48.77 80.32 Favored 'General case' 0 CA--C 1.508 -0.656 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.37 -174.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -63.26 -41.54 99.05 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.274 -178.16 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.715 ' HG ' HD13 ' B' ' 77' ' ' LEU . 2.1 mm? -62.93 -39.82 95.77 Favored 'General case' 0 C--N 1.314 -0.965 0 C-N-CA 120.193 -0.603 . . . . 0.0 109.846 175.845 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -64.53 -40.24 95.24 Favored 'General case' 0 C--O 1.234 0.273 0 O-C-N 123.561 0.538 . . . . 0.0 110.541 176.598 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 63' ' ' GLU . . . . . 0.442 ' HG3' ' O ' ' B' ' 59' ' ' LYS . 98.7 mt-10 -60.3 -41.13 92.76 Favored 'General case' 0 CA--C 1.51 -0.576 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 178.211 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 64' ' ' ASN . . . . . 0.559 ' O ' ' NZ ' ' B' ' 30' ' ' LYS . 23.2 m120 -90.24 17.42 7.14 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-N 114.49 -1.232 . . . . 0.0 109.39 176.068 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.433 ' HA2' ' HG3' ' B' ' 30' ' ' LYS . . . -104.51 26.02 24.0 Favored Glycine 0 C--O 1.224 -0.491 0 CA-C-N 116.059 -0.519 . . . . 0.0 112.194 -174.107 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -61.72 -41.39 97.57 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.778 178.485 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -136.69 -71.57 0.06 OUTLIER Glycine 0 C--N 1.32 -0.359 0 N-CA-C 111.649 -0.58 . . . . 0.0 111.649 -177.48 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -133.63 176.47 8.52 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.342 0.592 . . . . 0.0 112.181 -178.265 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.953 HG23 ' HB2' ' B' ' 73' ' ' GLU . 1.5 p -127.21 136.59 60.26 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.162 0 C-N-CA 124.342 1.057 . . . . 0.0 109.288 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.612 ' HB3' ' NZ ' ' B' ' 27' ' ' LYS . 0.6 OUTLIER -101.17 -176.96 3.3 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 121.583 0.706 . . . . 0.0 111.59 179.151 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.592 ' O ' HG22 ' B' ' 75' ' ' VAL . 48.2 t80 -60.14 -44.05 95.25 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-N 114.822 -1.081 . . . . 0.0 109.769 -179.066 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.447 ' HG3' HG11 ' A' ' 83' ' ' VAL . 24.6 mt-30 -60.03 -40.78 90.51 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.659 179.225 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.953 ' HB2' HG23 ' B' ' 69' ' ' VAL . 70.6 mt-10 -67.18 -41.9 85.15 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 119.172 -1.011 . . . . 0.0 109.25 173.749 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 74' ' ' TYR . . . . . 0.636 ' OH ' HD11 ' A' ' 4' ' ' LEU . 46.7 t80 -61.16 -49.43 77.25 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.266 -176.151 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.942 HG21 ' CB ' ' A' ' 79' ' ' ALA . 31.0 m -64.18 -42.56 95.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 116.267 -0.424 . . . . 0.0 112.123 -178.821 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.475 ' O ' ' N ' ' B' ' 80' ' ' ALA . 11.7 p -66.18 -39.02 83.24 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 C-N-CA 120.113 -0.635 . . . . 0.0 110.114 178.069 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.911 ' CD2' HD11 ' B' ' 33' ' ' LEU . 57.7 tp -61.48 -49.06 78.31 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.668 -179.456 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.773 HG12 HD23 ' B' ' 37' ' ' LEU . 19.6 m -67.91 -41.98 85.27 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 C-N-CA 119.949 -0.7 . . . . 0.0 110.371 178.596 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.863 ' CB ' HG21 ' A' ' 75' ' ' VAL . . . -62.71 -42.55 99.7 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.86 176.576 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 80' ' ' ALA . . . . . 0.475 ' N ' ' O ' ' B' ' 76' ' ' VAL . . . -56.33 -48.56 76.5 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.632 -178.698 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.856 ' CD1' HD11 ' B' ' 37' ' ' LEU . 88.3 mt -64.05 -42.23 97.1 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.373 174.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.75 HG22 ' OD1' ' B' ' 86' ' ' ASN . 15.8 m -62.52 -49.11 76.64 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.663 -177.683 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.504 ' HB ' ' HB3' ' A' ' 71' ' ' PHE . 14.7 p -61.51 -45.87 97.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.749 0.309 . . . . 0.0 111.246 -179.528 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -58.55 -50.95 71.9 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 120.568 -0.453 . . . . 0.0 110.013 -179.652 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 85' ' ' MET . . . . . 0.406 ' SD ' ' HD1' ' B' ' 44' ' ' PHE . 0.0 OUTLIER -66.41 -44.59 82.57 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.801 178.542 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.75 ' OD1' HG22 ' B' ' 82' ' ' THR . 6.6 m120 -63.67 -39.29 93.95 Favored 'General case' 0 CA--C 1.508 -0.66 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.986 -179.115 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -49.63 -39.58 36.43 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.165 177.742 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.482 ' O ' ' N ' ' B' ' 92' ' ' ASN . 76.4 m-85 -62.08 -41.89 98.64 Favored 'General case' 0 C--O 1.217 -0.643 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.082 175.389 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -60.08 -41.52 92.64 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.345 175.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 90' ' ' TRP . . . . . 0.565 ' CD1' ' N ' ' B' ' 90' ' ' TRP . 8.8 m0 -68.01 -51.7 44.05 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.027 -0.669 . . . . 0.0 109.978 -179.215 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -73.12 -46.27 52.18 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.151 -0.931 . . . . 0.0 112.393 -177.529 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 92' ' ' ASN . . . . . 0.482 ' N ' ' O ' ' B' ' 88' ' ' PHE . 50.4 t-20 -99.53 100.62 11.67 Favored 'General case' 0 CA--C 1.502 -0.874 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.514 179.113 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.204 -1.308 0 CA-C-O 118.429 -0.796 . . . . 0.0 110.202 -176.455 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 0.379 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.45 ' C ' ' H ' ' A' ' 4' ' ' LEU . 7.9 m -76.16 179.81 5.47 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 178.016 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.463 ' H ' ' CD ' ' A' ' 3' ' ' GLU . 1.9 mp0 -51.26 -17.39 0.69 Allowed 'General case' 0 C--O 1.237 0.44 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 178.017 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.45 ' H ' ' C ' ' A' ' 2' ' ' SER . 0.1 OUTLIER -56.91 -45.59 82.57 Favored 'General case' 0 N--CA 1.435 -1.193 0 CA-C-N 114.68 -1.146 . . . . 0.0 109.118 -175.088 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.464 ' HG2' ' CD2' ' B' ' 44' ' ' PHE . 98.6 mt-10 -65.3 -42.34 93.15 Favored 'General case' 0 N--CA 1.445 -0.675 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.963 179.029 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.9 m -62.22 -46.04 90.64 Favored 'General case' 0 C--O 1.244 0.777 0 CA-C-O 121.092 0.472 . . . . 0.0 110.051 175.776 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.45 -49.48 76.11 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.817 179.217 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.452 ' HE1' ' HB2' ' B' ' 79' ' ' ALA . 96.9 mmm -65.36 -41.04 94.23 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.095 179.496 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -64.65 -35.68 81.82 Favored 'General case' 0 CA--C 1.513 -0.468 0 C-N-CA 119.888 -0.725 . . . . 0.0 111.283 177.176 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 18.6 m -58.33 -43.38 88.21 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 176.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.546 HD11 ' SD ' ' B' ' 8' ' ' MET . 83.8 mt -62.91 -40.77 98.6 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.334 174.171 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.63 HD13 ' CD1' ' A' ' 71' ' ' PHE . 20.9 mm -62.36 -44.23 98.99 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 CA-C-O 121.091 0.472 . . . . 0.0 109.82 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 43.2 m-80 -62.17 -41.9 98.75 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.532 -177.355 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.955 HG21 HD21 ' B' ' 4' ' ' LEU . 91.2 t -63.26 -42.87 97.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 174.802 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -58.35 -47.93 82.2 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.487 178.765 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -60.86 -43.32 98.51 Favored 'General case' 0 CA--C 1.506 -0.739 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.422 174.288 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.29 -48.76 68.08 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.359 -176.542 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.538 ' CD2' HD13 ' A' ' 36' ' ' LEU . 90.6 m-70 -75.74 -31.49 59.62 Favored 'General case' 0 C--N 1.319 -0.759 0 C-N-CA 120.637 -0.425 . . . . 0.0 111.858 176.048 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 70.2 m -52.2 -42.33 63.41 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.642 -177.018 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.29 -28.42 70.88 Favored Glycine 0 CA--C 1.528 0.848 0 N-CA-C 111.491 -0.644 . . . . 0.0 111.491 -179.62 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -64.29 -41.54 96.82 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 -173.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.416 ' OE1' ' N ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -144.52 -53.13 0.31 Allowed 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -177.838 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.416 ' N ' ' OE1' ' A' ' 22' ' ' GLU . . . -59.25 -178.38 1.21 Allowed Glycine 0 CA--C 1.527 0.827 0 CA-C-N 116.25 -0.432 . . . . 0.0 112.889 -173.795 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.417 ' O ' ' C ' ' A' ' 25' ' ' LYS . 26.2 t70 -60.85 163.07 6.06 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.214 -0.493 . . . . 0.0 109.719 177.624 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 24' ' ' ASP . 0.5 OUTLIER -37.45 -41.26 0.43 Allowed 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 120.97 -0.292 . . . . 0.0 110.349 -176.918 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.557 ' HB2' ' CE3' ' B' ' 90' ' ' TRP . 10.7 p90 -132.44 90.16 2.75 Favored 'General case' 0 N--CA 1.441 -0.901 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.081 167.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.528 ' HG2' ' O ' ' A' ' 26' ' ' TYR . 2.0 mmmm -165.97 161.7 17.64 Favored 'General case' 0 C--N 1.316 -0.881 0 C-N-CA 125.532 1.533 . . . . 0.0 107.145 170.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.583 HD11 ' HB2' ' A' ' 32' ' ' GLU . 55.6 tp -123.92 131.09 53.52 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.123 175.27 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.1 m -86.92 158.21 19.34 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 176.743 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.734 ' NZ ' ' HA ' ' A' ' 62' ' ' ASP . 10.3 mmmm -68.97 -7.08 31.93 Favored 'General case' 0 C--N 1.311 -1.092 0 C-N-CA 119.534 -0.866 . . . . 0.0 110.161 -177.433 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 47.3 mttm -64.29 -48.6 75.05 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-O 121.795 0.807 . . . . 0.0 109.139 -177.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.583 ' HB2' HD11 ' A' ' 28' ' ' LEU . 68.2 mm-40 -86.82 -30.87 21.18 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 114.456 -1.247 . . . . 0.0 111.003 -178.817 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.711 HD11 ' CD2' ' A' ' 77' ' ' LEU . 3.2 tm? -59.02 -43.77 91.63 Favored 'General case' 0 C--N 1.313 -0.999 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 -177.249 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -63.51 -42.41 98.48 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.227 -0.589 . . . . 0.0 110.719 177.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.941 ' O ' HG22 ' A' ' 39' ' ' THR . 6.0 mm-40 -67.17 -43.68 81.63 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.748 0.785 . . . . 0.0 108.91 175.765 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.538 HD13 ' CD2' ' A' ' 18' ' ' HIS . 21.4 tp -60.88 -48.33 82.31 Favored 'General case' 0 C--N 1.309 -1.191 0 CA-C-N 114.357 -1.292 . . . . 0.0 112.747 -178.37 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.704 HD21 HD22 ' A' ' 41' ' ' LEU . 2.8 tm? -64.13 -44.93 90.72 Favored 'General case' 0 C--N 1.309 -1.177 0 C-N-CA 120.091 -0.643 . . . . 0.0 111.394 -176.229 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -66.44 -44.87 81.63 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 112.867 0.691 . . . . 0.0 112.867 -178.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.941 HG22 ' O ' ' A' ' 35' ' ' GLU . 0.9 OUTLIER -66.11 -52.65 46.66 Favored 'General case' 0 C--O 1.24 0.574 0 C-N-CA 120.308 -0.557 . . . . 0.0 111.963 -178.126 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.54 ' HG2' HG23 ' A' ' 39' ' ' THR . 42.9 mm-40 -72.39 -35.14 68.34 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 -171.787 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.704 HD22 HD21 ' A' ' 37' ' ' LEU . 11.1 mp -99.88 35.23 2.07 Favored 'General case' 0 CA--C 1.508 -0.646 0 CA-C-O 121.272 0.558 . . . . 0.0 109.704 177.389 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.31 -36.24 70.86 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.947 -176.685 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.54 -42.71 80.18 Favored Glycine 0 C--O 1.241 0.534 0 N-CA-C 111.268 -0.733 . . . . 0.0 111.268 176.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.782 ' HA ' ' SD ' ' A' ' 85' ' ' MET . 54.8 m-85 -69.58 -41.57 75.64 Favored 'General case' 0 CA--C 1.496 -1.123 0 CA-C-O 121.619 0.723 . . . . 0.0 109.419 177.749 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.433 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 48.9 tp -62.01 -44.03 97.58 Favored 'General case' 0 N--CA 1.431 -1.406 0 CA-C-N 114.457 -1.247 . . . . 0.0 110.188 175.276 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -58.72 -45.9 88.57 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.641 176.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.785 ' HB3' ' SD ' ' A' ' 85' ' ' MET . . . -62.76 -36.39 82.91 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.818 -175.207 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -131.0 47.55 2.53 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 -176.006 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.433 ' HG3' ' O ' ' A' ' 45' ' ' LEU . 67.2 mttm -63.19 -39.54 94.95 Favored 'General case' 0 C--O 1.242 0.698 0 C-N-CA 120.12 -0.632 . . . . 0.0 109.868 172.799 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -80.05 -3.94 50.64 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-N 114.581 -1.191 . . . . 0.0 112.428 -173.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.666 ' O ' HG12 ' A' ' 54' ' ' VAL . 8.7 t -88.71 132.54 33.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 -179.74 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.445 ' OD1' ' NZ ' ' A' ' 56' ' ' LYS . 0.3 OUTLIER -59.64 -28.46 67.25 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.796 -179.139 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.517 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -62.69 -38.86 92.06 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.729 -0.669 . . . . 0.0 112.615 -173.783 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.666 HG12 ' O ' ' A' ' 51' ' ' VAL . 9.6 p -57.21 -43.62 82.14 Favored 'Isoleucine or valine' 0 C--O 1.237 0.413 0 C-N-CA 120.661 -0.416 . . . . 0.0 111.041 -174.632 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -59.79 -50.01 75.48 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.829 0.823 . . . . 0.0 109.51 176.004 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.445 ' NZ ' ' OD1' ' A' ' 52' ' ' ASP . 44.6 mttp -65.2 -40.85 94.75 Favored 'General case' 0 C--N 1.306 -1.322 0 CA-C-N 114.249 -1.342 . . . . 0.0 111.325 -176.057 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.561 HG12 HD12 ' A' ' 77' ' ' LEU . 53.0 t -60.87 -47.07 95.01 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.848 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 177.353 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 57.5 ttp -61.48 -42.24 98.48 Favored 'General case' 0 C--N 1.306 -1.291 0 CA-C-N 114.653 -1.158 . . . . 0.0 110.323 174.415 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.441 ' HD3' ' HA ' ' A' ' 59' ' ' LYS . 0.2 OUTLIER -65.15 -37.54 87.73 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.772 -176.704 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.413 ' O ' ' HB2' ' A' ' 63' ' ' GLU . 90.6 mt-10 -58.46 -35.12 71.67 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.13 0.491 . . . . 0.0 110.295 178.203 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.713 ' HG ' HD22 ' A' ' 77' ' ' LEU . 2.4 mm? -62.66 -35.92 81.2 Favored 'General case' 0 C--N 1.308 -1.225 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.289 176.01 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.734 ' HA ' ' NZ ' ' A' ' 30' ' ' LYS . 94.2 m-20 -69.19 -20.88 63.99 Favored 'General case' 0 C--N 1.313 -0.983 0 C-N-CA 120.689 -0.404 . . . . 0.0 112.005 178.448 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.413 ' HB2' ' O ' ' A' ' 60' ' ' GLU . 95.9 mt-10 -62.58 -69.56 0.25 Allowed 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 175.587 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -67.47 -48.39 67.3 Favored 'General case' 0 CA--C 1.502 -0.885 0 CA-C-O 121.593 0.711 . . . . 0.0 109.73 178.59 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.489 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . . . -74.22 54.17 2.29 Favored Glycine 0 N--CA 1.434 -1.464 0 N-CA-C 108.961 -1.656 . . . . 0.0 108.961 178.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -63.1 -34.82 78.42 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-O 121.58 0.705 . . . . 0.0 109.138 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -121.99 -62.65 0.22 Allowed Glycine 0 C--N 1.318 -0.442 0 CA-C-N 114.762 -1.108 . . . . 0.0 110.648 179.764 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.407 ' O ' ' HA2' ' A' ' 65' ' ' GLY . 0.5 OUTLIER -117.64 167.9 10.91 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 110.413 -0.217 . . . . 0.0 110.413 -179.829 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.617 HG23 ' HB2' ' A' ' 73' ' ' GLU . 2.4 p -128.17 133.3 67.31 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 173.86 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -98.94 -177.12 3.53 Favored 'General case' 0 C--N 1.316 -0.863 0 C-N-CA 120.341 -0.544 . . . . 0.0 110.335 -179.8 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.63 ' CD1' HD13 ' A' ' 12' ' ' ILE . 61.6 t80 -60.93 -44.74 96.79 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-O 121.388 0.613 . . . . 0.0 109.993 179.111 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -60.3 -40.25 89.87 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.159 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.617 ' HB2' HG23 ' A' ' 69' ' ' VAL . 89.9 mt-10 -69.73 -41.06 75.79 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.134 -0.626 . . . . 0.0 110.685 173.481 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.464 ' CE1' HD21 ' A' ' 36' ' ' LEU . 31.4 t80 -60.53 -48.77 80.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.82 -178.738 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.782 HG21 ' CB ' ' B' ' 79' ' ' ALA . 27.6 m -63.06 -44.37 99.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -179.229 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.41 ' O ' ' N ' ' A' ' 80' ' ' ALA . 13.6 p -64.82 -39.27 85.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.571 -178.148 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.713 HD22 ' HG ' ' A' ' 61' ' ' LEU . 47.9 tp -60.8 -48.66 80.77 Favored 'General case' 0 CA--C 1.508 -0.651 0 CA-C-O 121.05 0.452 . . . . 0.0 110.595 -179.171 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.628 HG12 HD23 ' A' ' 37' ' ' LEU . 18.4 m -68.25 -41.59 83.94 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.179 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.614 178.478 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.68 ' CB ' HG21 ' B' ' 75' ' ' VAL . . . -62.78 -40.42 97.25 Favored 'General case' 0 CA--C 1.508 -0.64 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.734 176.738 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.415 ' HA ' ' OE1' ' B' ' 72' ' ' GLN . . . -57.06 -48.72 77.86 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.046 -178.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.571 ' CD1' HD11 ' A' ' 37' ' ' LEU . 94.5 mt -63.55 -40.11 96.14 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 174.135 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.47 ' HA ' ' CE2' ' A' ' 44' ' ' PHE . 19.8 m -61.54 -50.32 73.14 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.209 -178.467 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.488 HG23 ' HH2' ' A' ' 90' ' ' TRP . 10.0 p -61.86 -43.66 97.71 Favored 'Isoleucine or valine' 0 C--O 1.238 0.471 0 C-N-CA 120.26 -0.576 . . . . 0.0 110.22 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.18 -50.9 72.25 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.274 179.199 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.785 ' SD ' ' HB3' ' A' ' 47' ' ' ALA . 34.1 ttp -74.64 -42.46 58.49 Favored 'General case' 0 C--O 1.221 -0.426 0 C-N-CA 120.176 -0.61 . . . . 0.0 111.145 -179.174 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.559 ' OD1' ' NE1' ' A' ' 90' ' ' TRP . 1.8 t-20 -62.77 -33.89 76.09 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 119.877 -0.729 . . . . 0.0 110.544 -173.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.631 ' HA ' ' CD2' ' A' ' 90' ' ' TRP . 7.3 t-20 -48.92 -31.93 8.16 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.572 174.758 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.518 ' HB3' ' O ' ' A' ' 85' ' ' MET . 54.1 t80 -58.75 -44.71 90.64 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.873 176.701 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -62.72 -44.26 96.69 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.275 177.795 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.631 ' CD2' ' HA ' ' A' ' 87' ' ' ASN . 3.2 m0 -63.27 -41.03 98.99 Favored 'General case' 0 CA--C 1.507 -0.696 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 -175.733 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -98.89 -2.39 37.76 Favored 'General case' 0 C--O 1.247 0.957 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.437 -175.472 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.407 ' N ' ' O ' ' A' ' 88' ' ' PHE . 2.9 t30 -45.71 116.63 1.23 Allowed 'General case' 0 CA--C 1.505 -0.776 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.191 -174.324 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 58.6 m . . . . . 0 C--O 1.207 -1.176 0 CA-C-O 118.078 -0.963 . . . . 0.0 110.018 -176.809 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.5 0 N-CA-C 111.341 -0.704 . . . . 0.0 111.341 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 14.6 m -64.35 154.74 34.47 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 176.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -46.59 -26.79 0.96 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.756 0.312 . . . . 0.0 110.727 -178.227 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.955 HD21 HG21 ' A' ' 14' ' ' VAL . 0.7 OUTLIER -60.46 -41.86 94.98 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.666 -178.926 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 -62.61 -40.68 97.71 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 119.387 -0.925 . . . . 0.0 109.556 176.442 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 10.9 m -63.63 -47.53 80.96 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-O 121.467 0.651 . . . . 0.0 109.276 175.117 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.55 -47.34 84.54 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.64 -179.4 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' MET . . . . . 0.546 ' SD ' HD11 ' A' ' 11' ' ' LEU . 96.6 mmm -63.39 -40.63 97.74 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.545 -0.462 . . . . 0.0 110.597 179.341 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.33 -37.25 86.5 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 119.63 -0.828 . . . . 0.0 110.685 172.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 8.8 m -58.31 -43.19 88.03 Favored 'General case' 0 C--O 1.237 0.428 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 177.062 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.409 HD21 HD13 ' A' ' 4' ' ' LEU . 98.4 mt -62.22 -41.43 98.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.864 176.459 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.547 HG21 ' OD1' ' A' ' 86' ' ' ASN . 26.4 mm -62.53 -44.14 99.05 Favored 'Isoleucine or valine' 0 C--O 1.236 0.384 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 178.811 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -61.62 -43.61 98.55 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.645 -177.317 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 93.6 t -65.4 -47.31 87.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 174.58 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -59.26 -49.1 79.14 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.078 -177.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.528 ' CE1' ' HB3' ' B' ' 26' ' ' TYR . 11.1 m-70 -80.78 -15.51 56.23 Favored 'General case' 0 CA--C 1.508 -0.661 0 N-CA-C 113.522 0.934 . . . . 0.0 113.522 -178.361 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.27 -42.57 91.52 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 107.551 -1.277 . . . . 0.0 107.551 174.608 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.475 ' ND1' ' OE1' ' B' ' 32' ' ' GLU . 87.4 m-70 -73.94 -34.92 64.49 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.608 -1.178 . . . . 0.0 111.785 176.058 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.408 ' OG ' ' HA ' ' B' ' 16' ' ' HIS . 72.2 m -50.3 -37.04 34.4 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-O 120.848 0.356 . . . . 0.0 111.752 -176.492 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.87 -21.66 52.4 Favored Glycine 0 C--N 1.31 -0.884 0 N-CA-C 111.682 -0.567 . . . . 0.0 111.682 -179.192 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -81.57 -72.48 0.43 Allowed 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 114.104 1.15 . . . . 0.0 114.104 -169.681 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -67.03 -45.15 78.37 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 113.813 -1.54 . . . . 0.0 114.252 -160.595 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -179.03 -73.93 0.06 OUTLIER Glycine 0 CA--C 1.527 0.788 0 C-N-CA 119.075 -1.536 . . . . 0.0 114.424 -177.471 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.532 ' HB3' ' HB2' ' B' ' 27' ' ' LYS . 15.4 t70 -59.94 157.45 12.58 Favored 'General case' 0 CA--C 1.507 -0.679 0 O-C-N 122.537 -0.39 . . . . 0.0 111.198 -172.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -62.43 -43.03 99.8 Favored 'General case' 0 CA--C 1.481 -1.7 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 176.679 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.528 ' HB3' ' CE1' ' B' ' 16' ' ' HIS . 0.0 OUTLIER -139.5 93.09 2.63 Favored 'General case' 0 N--CA 1.427 -1.586 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.447 177.012 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.532 ' HB2' ' HB3' ' B' ' 24' ' ' ASP . 5.8 mmtm -163.71 167.46 21.01 Favored 'General case' 0 CA--C 1.498 -1.038 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.552 173.33 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.406 HD21 ' HA ' ' B' ' 33' ' ' LEU . 48.2 tp -124.69 133.13 53.31 Favored 'General case' 0 C--N 1.292 -1.892 0 N-CA-C 107.173 -1.417 . . . . 0.0 107.173 170.498 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.426 ' HB2' ' HG3' ' B' ' 31' ' ' LYS . 0.7 OUTLIER -101.24 -177.54 3.47 Favored 'General case' 0 C--N 1.307 -1.262 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.03 -176.002 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.531 ' NZ ' ' O ' ' B' ' 62' ' ' ASP . 8.3 mmmm -80.98 0.55 35.1 Favored 'General case' 0 C--N 1.314 -0.942 0 C-N-CA 120.84 -0.344 . . . . 0.0 111.765 -174.202 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.456 ' O ' ' HG2' ' B' ' 35' ' ' GLU . 6.4 mttt -88.61 -62.97 1.37 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 -179.433 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.475 ' OE1' ' ND1' ' B' ' 18' ' ' HIS . 67.1 mm-40 -66.98 -34.43 77.73 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.565 -179.369 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.598 HD13 ' C ' ' B' ' 33' ' ' LEU . 2.3 tm? -58.83 -43.83 90.78 Favored 'General case' 0 C--O 1.238 0.469 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 -178.425 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.418 ' NZ ' ' O ' ' B' ' 30' ' ' LYS . 46.1 mttp -63.37 -42.85 98.88 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 176.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.456 ' HG2' ' O ' ' B' ' 31' ' ' LYS . 80.4 mm-40 -67.75 -42.02 82.44 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.551 -176.721 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.619 HD12 ' C ' ' B' ' 36' ' ' LEU . 0.3 OUTLIER -82.09 -40.28 22.17 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 113.227 0.825 . . . . 0.0 113.227 -173.53 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.765 HD23 HG12 ' B' ' 78' ' ' VAL . 2.4 tm? -60.37 -42.46 95.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.169 0.509 . . . . 0.0 110.002 -178.209 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -59.58 -42.25 92.08 Favored 'General case' 0 C--N 1.312 -1.064 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.453 HG23 ' O ' ' B' ' 35' ' ' GLU . 2.8 p -80.41 -50.13 10.52 Favored 'General case' 0 CA--C 1.506 -0.719 0 C-N-CA 120.044 -0.663 . . . . 0.0 111.083 -178.606 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -58.25 -40.17 81.07 Favored 'General case' 0 N--CA 1.439 -1.013 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.646 -172.253 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.4 HD11 HD12 ' A' ' 4' ' ' LEU . 8.4 mp -107.51 31.52 5.37 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.376 177.006 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 2.6 p -55.29 -37.69 67.64 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.981 -176.662 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -64.24 -48.14 77.67 Favored Glycine 0 C--O 1.242 0.629 0 N-CA-C 110.561 -1.016 . . . . 0.0 110.561 176.235 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.496 ' CE2' HG23 ' B' ' 82' ' ' THR . 29.5 m-85 -66.2 -41.41 90.21 Favored 'General case' 0 CA--C 1.503 -0.856 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.408 178.404 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.524 ' O ' HD12 ' B' ' 45' ' ' LEU . 3.0 tp -60.51 -47.42 86.23 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.254 -0.884 . . . . 0.0 110.722 179.702 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -67.69 -43.04 81.07 Favored 'General case' 0 C--N 1.317 -0.807 0 C-N-CA 119.733 -0.787 . . . . 0.0 111.108 176.546 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 47' ' ' ALA . . . . . 0.405 ' HB3' ' HG3' ' B' ' 85' ' ' MET . . . -59.7 -49.14 78.91 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.711 -177.094 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.469 ' NE2' ' HB ' ' B' ' 54' ' ' VAL . 0.0 OUTLIER -103.9 37.08 2.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.338 0.589 . . . . 0.0 110.585 178.911 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 1.5 tttp -61.97 -42.14 98.8 Favored 'General case' 0 C--N 1.308 -1.239 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.509 -179.031 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -85.43 37.7 0.7 Allowed 'General case' 0 C--O 1.239 0.522 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.284 -179.543 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 51' ' ' VAL . . . . . 0.489 ' O ' HG12 ' B' ' 54' ' ' VAL . 54.9 t -118.17 130.27 73.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 120.974 0.416 . . . . 0.0 110.727 -179.236 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -58.06 -39.34 78.24 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.558 179.716 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.518 ' O ' HG23 ' B' ' 57' ' ' VAL . . . -56.12 -27.46 54.03 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.669 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.489 HG12 ' O ' ' B' ' 51' ' ' VAL . 0.9 OUTLIER -59.46 -41.5 84.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 C-N-CA 119.717 -0.793 . . . . 0.0 110.205 179.774 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.421 ' O ' ' HB3' ' B' ' 59' ' ' LYS . 27.2 t70 -69.09 -57.14 5.81 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-O 121.486 0.66 . . . . 0.0 110.092 175.684 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 56' ' ' LYS . . . . . 0.428 ' HA ' ' CD ' ' B' ' 59' ' ' LYS . 50.4 mttp -65.2 -39.07 92.33 Favored 'General case' 0 C--N 1.307 -1.249 0 CA-C-N 114.796 -1.093 . . . . 0.0 113.83 -174.203 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.563 HG12 HD12 ' B' ' 77' ' ' LEU . 76.1 t -62.82 -47.68 91.68 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 177.439 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 58' ' ' MET . . . . . 0.449 ' O ' ' HB2' ' B' ' 62' ' ' ASP . 66.1 ttp -63.64 -47.02 83.02 Favored 'General case' 0 N--CA 1.431 -1.376 0 CA-C-N 114.873 -1.058 . . . . 0.0 110.939 177.529 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 59' ' ' LYS . . . . . 0.503 ' HG2' ' N ' ' B' ' 60' ' ' GLU . 1.1 ptmt -71.37 -42.68 68.14 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 -176.553 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 60' ' ' GLU . . . . . 0.503 ' N ' ' HG2' ' B' ' 59' ' ' LYS . 86.8 mt-10 -65.88 -42.66 90.05 Favored 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 119.513 -0.875 . . . . 0.0 109.838 -179.128 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.455 HD11 HG13 ' B' ' 76' ' ' VAL . 2.3 mm? -64.52 -34.8 79.07 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.283 0.563 . . . . 0.0 109.541 173.552 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.531 ' O ' ' NZ ' ' B' ' 30' ' ' LYS . 23.7 t70 -55.54 -40.0 71.3 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.397 -178.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -64.97 -40.22 94.65 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 -179.283 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 64' ' ' ASN . . . . . 0.528 ' O ' ' N ' ' B' ' 66' ' ' ASP . 12.5 t-20 -61.17 -40.7 94.89 Favored 'General case' 0 CA--C 1.493 -1.241 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 176.717 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.48 ' O ' ' NZ ' ' B' ' 30' ' ' LYS . . . -66.39 57.77 0.18 Allowed Glycine 0 N--CA 1.442 -0.946 0 N-CA-C 109.511 -1.436 . . . . 0.0 109.511 176.126 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.528 ' N ' ' O ' ' B' ' 64' ' ' ASN . 32.3 t70 -50.72 -29.08 10.42 Favored 'General case' 0 CA--C 1.504 -0.826 0 C-N-CA 123.204 0.601 . . . . 0.0 109.961 -178.393 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -169.81 -45.66 0.03 OUTLIER Glycine 0 C--N 1.307 -1.078 0 N-CA-C 108.914 -1.675 . . . . 0.0 108.914 177.535 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -110.66 153.36 25.34 Favored 'General case' 0 N--CA 1.437 -1.103 0 CA-C-N 114.341 -0.929 . . . . 0.0 108.514 174.171 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.4 p -126.05 129.94 72.24 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.231 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 173.57 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.409 ' CG ' ' N ' ' B' ' 71' ' ' PHE . 0.0 OUTLIER -93.96 177.06 6.11 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.172 -0.611 . . . . 0.0 111.374 -172.66 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.531 ' CD1' HD13 ' B' ' 12' ' ' ILE . 65.3 t80 -61.23 -45.47 94.42 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.624 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.447 ' HG3' HG11 ' A' ' 83' ' ' VAL . 25.6 mt-30 -61.03 -42.94 99.43 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 178.411 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.435 ' O ' HG12 ' B' ' 76' ' ' VAL . 97.9 mt-10 -66.74 -42.09 86.79 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.881 176.575 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 74' ' ' TYR . . . . . 0.437 ' CE1' HD11 ' B' ' 36' ' ' LEU . 34.7 t80 -61.12 -48.56 81.06 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.826 179.487 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.68 HG21 ' CB ' ' A' ' 79' ' ' ALA . 20.9 m -63.34 -42.49 96.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 119.994 -0.683 . . . . 0.0 111.884 -177.18 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.455 HG13 HD11 ' B' ' 61' ' ' LEU . 15.0 p -64.96 -38.67 83.39 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.717 0 C-N-CA 120.49 -0.484 . . . . 0.0 110.25 -179.038 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.563 HD12 HG12 ' B' ' 57' ' ' VAL . 62.2 tp -61.37 -48.35 81.69 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.505 179.199 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.765 HG12 HD23 ' B' ' 37' ' ' LEU . 21.5 m -69.61 -42.12 80.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 C-N-CA 120.002 -0.679 . . . . 0.0 110.354 177.191 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.782 ' CB ' HG21 ' A' ' 75' ' ' VAL . . . -61.71 -43.55 98.63 Favored 'General case' 0 CA--C 1.507 -0.691 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.95 -179.458 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.34 -48.4 76.85 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.81 -178.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 97.8 mt -63.7 -41.87 98.05 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.725 175.625 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.496 HG23 ' CE2' ' B' ' 44' ' ' PHE . 18.3 m -61.69 -50.57 71.94 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.789 -178.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 14.6 p -63.76 -43.43 97.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 120.43 -0.508 . . . . 0.0 110.245 178.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.22 -50.99 71.12 Favored 'General case' 0 CA--C 1.515 -0.385 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.056 179.463 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 85' ' ' MET . . . . . 0.464 ' SD ' ' HD1' ' B' ' 44' ' ' PHE . 0.0 OUTLIER -68.27 -48.19 65.69 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.979 179.098 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.62 ' OD1' ' NE1' ' B' ' 90' ' ' TRP . 1.8 t-20 -63.89 -39.01 93.18 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.297 -176.713 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 87' ' ' ASN . . . . . 0.446 ' HA ' ' CD2' ' B' ' 90' ' ' TRP . 19.7 t-20 -48.87 -33.85 11.45 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.895 177.805 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.573 ' O ' ' N ' ' B' ' 92' ' ' ASN . 85.2 t80 -58.16 -44.85 88.14 Favored 'General case' 0 C--O 1.217 -0.611 0 C-N-CA 120.347 -0.541 . . . . 0.0 109.83 177.433 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -61.83 -40.04 93.92 Favored 'General case' 0 C--N 1.318 -0.765 0 C-N-CA 120.379 -0.529 . . . . 0.0 110.41 176.642 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 90' ' ' TRP . . . . . 0.62 ' NE1' ' OD1' ' B' ' 86' ' ' ASN . 8.4 m0 -61.78 -45.93 91.74 Favored 'General case' 0 CA--C 1.502 -0.89 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 179.634 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -87.3 -10.8 51.38 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 115.174 -0.921 . . . . 0.0 112.018 -178.228 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 92' ' ' ASN . . . . . 0.573 ' N ' ' O ' ' B' ' 88' ' ' PHE . 64.6 t-20 -46.53 105.14 0.06 Allowed 'General case' 0 CA--C 1.502 -0.869 0 CA-C-O 120.994 0.426 . . . . 0.0 110.097 -178.751 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 10.2 m . . . . . 0 C--N 1.304 -1.4 0 CA-C-O 118.175 -0.917 . . . . 0.0 109.74 -175.38 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.594 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m -69.38 176.26 3.49 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 179.117 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -59.73 -47.19 86.63 Favored 'General case' 0 CA--C 1.502 -0.869 0 C-N-CA 120.534 -0.467 . . . . 0.0 110.439 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.817 HD21 HG21 ' B' ' 14' ' ' VAL . 2.4 mm? -62.21 -43.48 98.72 Favored 'General case' 0 C--N 1.306 -1.323 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 -179.398 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.404 ' O ' ' HG3' ' A' ' 9' ' ' GLU . 67.5 mt-10 -64.85 -47.43 77.98 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.245 177.722 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.471 ' O ' ' N ' ' A' ' 10' ' ' THR . 11.7 m -61.09 -43.66 98.55 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.96 176.603 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.67 -48.62 74.74 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 176.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.48 ' HG2' ' O ' ' A' ' 4' ' ' LEU . 97.1 mmm -64.45 -41.52 96.49 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.766 177.118 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.404 ' HG3' ' O ' ' A' ' 5' ' ' GLU . 99.3 mt-10 -63.07 -36.58 84.07 Favored 'General case' 0 C--O 1.24 0.592 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 177.506 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.471 ' N ' ' O ' ' A' ' 6' ' ' THR . 11.7 m -59.39 -45.46 91.41 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 176.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.819 HD23 HD22 ' B' ' 4' ' ' LEU . 91.5 mt -62.79 -41.0 99.06 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.745 176.181 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.531 HD13 ' CD1' ' A' ' 71' ' ' PHE . 23.5 mm -62.08 -44.03 98.48 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.631 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.022 178.273 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -59.76 -44.41 93.87 Favored 'General case' 0 C--N 1.317 -0.845 0 C-N-CA 120.13 -0.628 . . . . 0.0 109.916 -177.375 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.907 HG21 HD11 ' B' ' 4' ' ' LEU . 76.6 t -64.64 -49.16 81.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 C-N-CA 120.458 -0.497 . . . . 0.0 110.475 175.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -59.88 -47.6 85.11 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.534 0.683 . . . . 0.0 109.793 179.282 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 23.2 t-160 -63.5 -45.84 88.83 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 114.99 -1.005 . . . . 0.0 110.105 -179.484 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.31 -50.03 74.23 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.39 179.319 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 -68.17 -36.21 79.26 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 120.515 -0.474 . . . . 0.0 111.073 178.361 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.3 m -54.53 -42.6 71.07 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 108.463 -0.939 . . . . 0.0 108.463 173.27 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.54 -36.94 92.51 Favored Glycine 0 N--CA 1.445 -0.727 0 N-CA-C 110.743 -0.943 . . . . 0.0 110.743 178.416 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -63.23 -42.12 99.2 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -175.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.635 ' CD ' ' H ' ' A' ' 29' ' ' SER . 0.2 OUTLIER -96.49 -70.04 0.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.066 -0.654 . . . . 0.0 112.395 -174.929 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -172.25 175.53 45.45 Favored Glycine 0 C--N 1.32 -0.33 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 -179.619 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.8 t70 64.95 147.94 0.03 OUTLIER 'General case' 0 CA--C 1.512 -0.489 0 C-N-CA 122.917 0.487 . . . . 0.0 110.262 -176.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.453 ' HD2' ' CE1' ' A' ' 26' ' ' TYR . 19.4 pttm -61.11 -40.9 95.53 Favored 'General case' 0 C--N 1.31 -1.144 0 C-N-CA 120.51 -0.476 . . . . 0.0 110.395 179.586 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.476 ' CE1' ' CD1' ' B' ' 90' ' ' TRP . 0.1 OUTLIER -152.86 92.63 1.67 Allowed 'General case' 0 C--O 1.242 0.698 0 C-N-CA 120.608 -0.437 . . . . 0.0 111.575 170.957 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.487 ' NZ ' ' OE1' ' A' ' 68' ' ' GLU . 7.1 mmmm -152.6 153.06 32.61 Favored 'General case' 0 C--N 1.314 -0.969 0 N-CA-C 106.608 -1.627 . . . . 0.0 106.608 166.401 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.521 ' HB3' HG13 ' A' ' 69' ' ' VAL . 46.1 tp -126.53 132.5 51.35 Favored 'General case' 0 C--N 1.306 -1.304 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 -176.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.635 ' H ' ' CD ' ' A' ' 22' ' ' GLU . 50.8 m -84.03 162.08 20.49 Favored 'General case' 0 C--N 1.311 -1.088 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 179.151 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.521 ' NZ ' ' O ' ' A' ' 64' ' ' ASN . 0.2 OUTLIER -71.43 -5.96 36.71 Favored 'General case' 0 C--N 1.309 -1.173 0 C-N-CA 120.229 -0.588 . . . . 0.0 110.572 -177.019 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.51 ' HG3' ' HB2' ' A' ' 29' ' ' SER . 1.4 pttt -75.29 -64.73 1.0 Allowed 'General case' 0 N--CA 1.473 0.723 0 CA-C-O 120.887 0.375 . . . . 0.0 110.104 179.043 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.409 ' HB2' HD11 ' A' ' 28' ' ' LEU . 67.8 mm-40 -61.07 -32.02 71.68 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.304 176.191 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.732 HD21 ' CD2' ' A' ' 77' ' ' LEU . 3.2 tm? -58.91 -49.1 79.09 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.308 -177.37 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.487 ' NZ ' ' O ' ' A' ' 30' ' ' LYS . 6.2 mttp -65.68 -44.7 85.41 Favored 'General case' 0 CA--C 1.512 -0.483 0 C-N-CA 119.757 -0.777 . . . . 0.0 110.657 178.362 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -68.09 -47.73 67.45 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.878 -174.439 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.585 ' C ' HD12 ' A' ' 36' ' ' LEU . 0.4 OUTLIER -69.75 -41.1 75.65 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 179.713 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.641 HD13 ' C ' ' A' ' 37' ' ' LEU . 2.7 tm? -61.74 -47.96 82.89 Favored 'General case' 0 C--O 1.238 0.463 0 C-N-CA 120.249 -0.581 . . . . 0.0 111.106 -176.113 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -65.96 -43.31 88.32 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 119.881 -0.728 . . . . 0.0 109.825 177.417 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 96.1 m -62.36 -50.55 71.13 Favored 'General case' 0 N--CA 1.442 -0.852 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.513 179.445 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.804 ' HB3' HD12 ' B' ' 4' ' ' LEU . 64.1 mm-40 -70.88 -39.13 73.0 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 120.512 -0.475 . . . . 0.0 112.126 -176.262 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.1 mp -108.7 33.84 3.99 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -177.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 46' ' ' ASP . 67.7 m -52.75 -39.75 62.48 Favored 'General case' 0 C--N 1.319 -0.752 0 C-N-CA 120.217 -0.593 . . . . 0.0 110.758 -177.524 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.21 -48.95 64.48 Favored Glycine 0 CA--C 1.529 0.924 0 N-CA-C 111.75 -0.54 . . . . 0.0 111.75 178.076 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.616 ' CZ ' HG23 ' A' ' 82' ' ' THR . 0.3 OUTLIER -65.47 -42.92 91.76 Favored 'General case' 0 CA--C 1.508 -0.648 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 178.482 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.487 HD12 ' OE1' ' A' ' 48' ' ' GLN . 47.9 tp -62.56 -44.54 96.09 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 114.708 -1.133 . . . . 0.0 111.189 177.166 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.564 ' O ' ' NZ ' ' A' ' 49' ' ' LYS . 22.7 t70 -59.95 -42.6 94.43 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.234 -0.439 . . . . 0.0 112.028 -178.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.63 ' CB ' ' SD ' ' A' ' 85' ' ' MET . . . -61.2 -24.05 66.05 Favored 'General case' 0 C--N 1.311 -1.068 0 N-CA-C 112.659 0.615 . . . . 0.0 112.659 -174.569 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.487 ' OE1' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -129.36 37.45 4.01 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 -175.47 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.564 ' NZ ' ' O ' ' A' ' 46' ' ' ASP . 37.1 mtmm -61.04 -37.7 83.53 Favored 'General case' 0 C--O 1.237 0.427 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 177.729 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.7 p-10 -84.81 10.54 11.23 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.489 -1.232 . . . . 0.0 111.413 -176.22 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.457 ' HB ' ' HB2' ' A' ' 48' ' ' GLN . 46.1 t -109.64 132.25 58.34 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 CA-C-O 120.673 0.273 . . . . 0.0 110.356 -175.278 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.456 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 25.4 t70 -58.95 -35.47 73.18 Favored 'General case' 0 CA--C 1.504 -0.813 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.762 -178.398 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.851 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -49.28 -27.56 3.92 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.049 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 1.7 p -58.43 -44.47 88.85 Favored 'Isoleucine or valine' 0 C--O 1.242 0.681 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.079 178.641 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.479 ' O ' ' N ' ' A' ' 59' ' ' LYS . 27.4 t70 -64.19 -45.47 88.18 Favored 'General case' 0 CA--C 1.496 -1.129 0 CA-C-O 121.279 0.562 . . . . 0.0 109.598 174.28 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.456 ' NZ ' ' OD2' ' A' ' 52' ' ' ASP . 6.9 mmtp -62.75 -39.66 94.83 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.574 -174.378 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.851 HG23 ' O ' ' A' ' 53' ' ' ALA . 93.2 t -59.68 -46.83 92.94 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.985 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 176.377 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 15.3 mmm -64.88 -44.15 90.59 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.283 177.108 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 55' ' ' ASP . 1.0 OUTLIER -66.2 -43.29 87.2 Favored 'General case' 0 N--CA 1.443 -0.803 0 CA-C-N 114.641 -1.163 . . . . 0.0 111.621 -173.678 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -57.24 -43.24 82.74 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 177.426 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.967 ' HG ' HD13 ' A' ' 77' ' ' LEU . 1.1 mm? -64.73 -40.01 94.6 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.89 172.167 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.468 ' O ' ' N ' ' A' ' 65' ' ' GLY . 24.7 t70 -64.8 -34.64 78.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.95 -176.571 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -54.14 -38.12 65.14 Favored 'General case' 0 CA--C 1.503 -0.858 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 178.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.521 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . 12.9 t-20 -102.64 35.99 2.31 Favored 'General case' 0 N--CA 1.438 -1.026 0 CA-C-N 115.045 -0.979 . . . . 0.0 109.197 173.059 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.48 ' HA2' ' HG3' ' A' ' 30' ' ' LYS . . . -83.91 7.48 70.28 Favored Glycine 0 C--N 1.319 -0.366 0 N-CA-C 108.623 -1.791 . . . . 0.0 108.623 176.323 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -57.55 -44.71 85.42 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.581 -0.809 . . . . 0.0 110.611 -177.095 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -140.0 -75.11 0.05 OUTLIER Glycine 0 C--O 1.239 0.433 0 N-CA-C 111.6 -0.6 . . . . 0.0 111.6 -179.706 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.487 ' OE1' ' NZ ' ' A' ' 27' ' ' LYS . 3.5 mp0 -122.78 -178.6 3.98 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.434 0.635 . . . . 0.0 111.557 -176.228 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.589 HG23 ' CB ' ' A' ' 73' ' ' GLU . 1.6 p -128.23 131.89 68.81 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.217 0 N-CA-C 107.507 -1.294 . . . . 0.0 107.507 171.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.85 179.91 5.32 Favored 'General case' 0 C--N 1.318 -0.802 0 C-N-CA 120.294 -0.563 . . . . 0.0 110.627 -178.557 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.531 ' CD1' HD13 ' A' ' 12' ' ' ILE . 40.8 t80 -61.83 -44.09 97.54 Favored 'General case' 0 C--N 1.308 -1.203 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.885 179.651 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.416 ' O ' HG22 ' A' ' 75' ' ' VAL . 34.6 mt-30 -58.22 -44.24 88.09 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 120.285 -0.566 . . . . 0.0 110.691 177.489 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.589 ' CB ' HG23 ' A' ' 69' ' ' VAL . 87.1 mt-10 -65.71 -40.68 92.48 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.295 0.569 . . . . 0.0 109.922 175.312 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -60.74 -47.82 84.56 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.178 -179.234 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.589 HG11 ' HB2' ' B' ' 79' ' ' ALA . 21.1 m -64.03 -43.15 97.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 C-N-CA 119.854 -0.738 . . . . 0.0 111.548 -179.687 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.462 HG12 ' HA ' ' A' ' 73' ' ' GLU . 11.3 p -65.38 -34.35 69.88 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.451 0 C-N-CA 119.857 -0.737 . . . . 0.0 109.948 178.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.967 HD13 ' HG ' ' A' ' 61' ' ' LEU . 51.0 tp -60.78 -49.34 77.88 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 178.193 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.512 HG12 HD23 ' A' ' 37' ' ' LEU . 31.8 m -71.54 -41.52 72.28 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.64 0 C-N-CA 120.184 -0.607 . . . . 0.0 111.033 176.797 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.634 ' CB ' HG21 ' B' ' 75' ' ' VAL . . . -63.11 -38.67 92.1 Favored 'General case' 0 CA--C 1.506 -0.746 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.874 178.568 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.656 ' HB1' HG22 ' A' ' 57' ' ' VAL . . . -57.88 -47.54 82.46 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 -179.404 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.702 ' HG ' HG11 ' A' ' 57' ' ' VAL . 87.5 mt -62.8 -42.55 99.76 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 121.249 0.547 . . . . 0.0 109.58 173.832 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.616 HG23 ' CZ ' ' A' ' 44' ' ' PHE . 10.9 m -62.27 -50.44 71.67 Favored 'General case' 0 N--CA 1.445 -0.725 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.721 -177.107 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.446 HG11 ' HG3' ' B' ' 72' ' ' GLN . 11.7 p -63.9 -44.13 97.95 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.335 0 C-N-CA 120.039 -0.664 . . . . 0.0 109.908 178.413 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.84 -53.51 57.39 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.998 -179.097 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.63 ' SD ' ' CB ' ' A' ' 47' ' ' ALA . 16.5 ttp -67.16 -43.93 81.03 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 119.498 -0.881 . . . . 0.0 110.159 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.609 ' ND2' HG13 ' B' ' 12' ' ' ILE . 83.5 m-20 -62.9 -35.37 79.81 Favored 'General case' 0 CA--C 1.502 -0.892 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.076 -178.253 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -45.77 -39.22 7.96 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 176.474 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -63.6 -39.38 94.23 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.761 179.274 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -56.58 -46.57 80.71 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 121.256 0.55 . . . . 0.0 109.891 -178.459 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 23.2 m95 -85.34 -32.76 22.29 Favored 'General case' 0 C--N 1.302 -1.472 0 CA-C-N 115.227 -0.897 . . . . 0.0 112.518 -173.031 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -87.5 -56.94 3.14 Favored 'General case' 0 C--N 1.304 -1.391 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.574 -177.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -132.42 99.94 4.83 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.089 -178.141 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.0 m . . . . . 0 C--O 1.206 -1.212 0 CA-C-O 118.007 -0.997 . . . . 0.0 110.091 179.33 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.466 0 N-CA-C 110.751 -0.94 . . . . 0.0 110.751 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 2' ' ' SER . . . . . 0.433 ' C ' ' N ' ' B' ' 4' ' ' LEU . 6.1 m -72.54 175.5 6.26 Favored 'General case' 0 C--N 1.314 -0.948 0 C-N-CA 122.286 0.235 . . . . 0.0 111.505 -177.132 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -49.04 -17.85 0.24 Allowed 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.631 176.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.907 HD11 HG21 ' A' ' 14' ' ' VAL . 73.0 mt -60.52 -41.08 93.68 Favored 'General case' 0 N--CA 1.435 -1.216 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 -177.511 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.416 ' HG2' ' HD2' ' A' ' 44' ' ' PHE . 96.1 mt-10 -61.82 -43.09 99.54 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 119.503 -0.879 . . . . 0.0 108.963 178.086 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.409 ' O ' ' N ' ' B' ' 10' ' ' THR . 6.8 m -62.62 -45.27 93.64 Favored 'General case' 0 N--CA 1.443 -0.8 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 175.782 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.07 -46.3 88.62 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.02 178.361 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 8' ' ' MET . . . . . 0.616 ' SD ' HD11 ' A' ' 11' ' ' LEU . 94.0 mmm -63.29 -41.7 99.01 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.372 -0.531 . . . . 0.0 110.181 178.534 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -62.12 -37.27 84.51 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.358 173.51 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.409 ' N ' ' O ' ' B' ' 6' ' ' THR . 7.5 m -60.79 -43.66 97.81 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.428 -0.952 . . . . 0.0 108.428 176.723 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.69 HD23 HD13 ' A' ' 4' ' ' LEU . 82.7 mt -62.58 -41.5 98.97 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.949 174.214 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.609 HG13 ' ND2' ' A' ' 86' ' ' ASN . 14.7 mm -62.3 -43.86 98.52 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.661 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.384 -178.688 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -60.32 -44.78 95.15 Favored 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 120.183 -0.607 . . . . 0.0 110.726 -175.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.817 HG21 HD21 ' A' ' 4' ' ' LEU . 89.3 t -65.0 -48.19 85.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 C-N-CA 120.521 -0.472 . . . . 0.0 110.573 176.41 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.538 ' CE1' ' HB2' ' B' ' 28' ' ' LEU . 82.5 t80 -60.68 -47.94 83.99 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.444 0.64 . . . . 0.0 110.04 178.453 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.537 ' ND1' ' O ' ' B' ' 25' ' ' LYS . 6.2 t60 -62.71 -43.72 98.08 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-N 115.142 -0.936 . . . . 0.0 109.507 179.576 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.481 ' O ' ' HG2' ' B' ' 21' ' ' LYS . . . -60.27 -51.17 70.7 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.366 175.457 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.443 ' HA ' ' CG ' ' B' ' 21' ' ' LYS . 72.3 m-70 -65.44 -34.93 79.45 Favored 'General case' 0 CA--C 1.503 -0.859 0 C-N-CA 120.663 -0.415 . . . . 0.0 111.524 177.824 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.476 ' HA ' ' O ' ' B' ' 27' ' ' LYS . 43.8 m -56.62 -41.33 76.91 Favored 'General case' 0 N--CA 1.447 -0.588 0 N-CA-C 107.861 -1.163 . . . . 0.0 107.861 173.546 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.72 -41.18 99.04 Favored Glycine 0 N--CA 1.442 -0.901 0 N-CA-C 110.015 -1.234 . . . . 0.0 110.015 174.092 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.481 ' HG2' ' O ' ' B' ' 17' ' ' ALA . 75.6 mmtt -63.27 -43.2 98.61 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 179.577 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -67.0 -41.48 86.63 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.816 176.28 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 122.64 28.14 1.48 Allowed Glycine 0 CA--C 1.523 0.556 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.712 176.518 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -133.08 158.17 43.44 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-N 117.075 0.438 . . . . 0.0 111.258 179.143 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.556 ' H ' ' HD3' ' B' ' 25' ' ' LYS . 0.2 OUTLIER -64.58 -46.92 80.66 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 175.434 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.462 ' H ' ' HG2' ' B' ' 25' ' ' LYS . 8.3 p90 -155.16 91.6 1.36 Allowed 'General case' 0 C--O 1.241 0.614 0 CA-C-O 121.325 0.583 . . . . 0.0 111.563 169.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.476 ' O ' ' HA ' ' B' ' 19' ' ' SER . 7.4 mmmm -158.29 153.5 25.61 Favored 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 105.746 -1.946 . . . . 0.0 105.746 167.705 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.538 ' HB2' ' CE1' ' B' ' 15' ' ' PHE . 50.2 tp -129.49 128.8 43.61 Favored 'General case' 0 C--N 1.301 -1.521 0 C-N-CA 119.961 -0.696 . . . . 0.0 110.712 179.542 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 8.2 p -83.71 165.65 18.73 Favored 'General case' 0 C--N 1.308 -1.214 0 CA-C-O 121.003 0.43 . . . . 0.0 111.289 178.337 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.46 ' HZ3' ' HA2' ' B' ' 65' ' ' GLY . 0.8 OUTLIER -73.19 -4.13 30.99 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.371 -176.223 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.483 ' H ' ' HG3' ' B' ' 31' ' ' LYS . 0.0 OUTLIER -82.65 -68.06 0.73 Allowed 'General case' 0 N--CA 1.474 0.745 0 CA-C-O 121.454 0.645 . . . . 0.0 110.013 177.342 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.439 ' HB2' HD11 ' B' ' 28' ' ' LEU . 74.1 mm-40 -56.12 -38.41 70.74 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.008 -0.996 . . . . 0.0 110.176 -179.688 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.931 HD21 HD23 ' B' ' 77' ' ' LEU . 2.4 tm? -59.76 -45.29 92.71 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.31 -174.507 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 49.3 mttp -63.7 -43.89 95.28 Favored 'General case' 0 C--N 1.318 -0.774 0 C-N-CA 119.59 -0.844 . . . . 0.0 109.591 -178.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.461 ' O ' ' OG1' ' B' ' 39' ' ' THR . 68.1 mt-10 -65.53 -46.07 81.02 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.256 -0.884 . . . . 0.0 109.123 179.554 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.785 HD21 ' CE1' ' B' ' 74' ' ' TYR . 2.6 tp -61.73 -49.58 75.88 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 115.34 -0.846 . . . . 0.0 111.667 176.824 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.824 HD21 HD12 ' B' ' 81' ' ' LEU . 2.6 tm? -63.12 -46.22 88.31 Favored 'General case' 0 C--N 1.317 -0.824 0 C-N-CA 120.808 -0.357 . . . . 0.0 111.384 -176.385 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -66.3 -40.9 90.3 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 119.768 -0.773 . . . . 0.0 110.505 177.406 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.461 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 72.4 m -64.43 -54.6 30.09 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.699 -0.682 . . . . 0.0 112.673 -177.752 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -70.64 -43.18 69.75 Favored 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 112.478 0.547 . . . . 0.0 112.478 -176.208 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.417 ' HB3' ' HB2' ' B' ' 44' ' ' PHE . 9.4 mp -102.01 35.0 2.49 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.488 -178.108 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.56 -37.85 71.12 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.926 -177.422 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.07 -46.56 64.95 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.676 -0.969 . . . . 0.0 110.676 176.312 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.643 ' HA ' ' SD ' ' B' ' 85' ' ' MET . 51.4 m-85 -63.57 -45.53 90.04 Favored 'General case' 0 CA--C 1.509 -0.615 0 CA-C-O 121.249 0.547 . . . . 0.0 110.161 177.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.498 ' O ' HD12 ' B' ' 45' ' ' LEU . 3.5 tp -61.59 -49.28 77.26 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.912 179.8 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -64.17 -43.26 95.66 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.373 -178.118 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.59 -46.62 89.08 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.072 -175.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.27 38.19 2.63 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 -174.607 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.432 ' HG3' ' O ' ' B' ' 45' ' ' LEU . 30.0 mtmt -63.01 -39.31 94.38 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 175.297 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -82.35 -1.78 50.82 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 113.925 -1.488 . . . . 0.0 110.712 -169.393 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 16.8 t -90.65 133.05 33.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.76 -0.654 . . . . 0.0 109.716 179.711 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.459 ' OD2' ' NZ ' ' B' ' 56' ' ' LYS . 32.0 t70 -57.04 -38.02 72.59 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 121.0 0.429 . . . . 0.0 111.089 -177.249 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.765 ' O ' HG23 ' B' ' 57' ' ' VAL . . . -53.34 -26.33 18.6 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.717 -179.217 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.526 ' O ' ' HG2' ' B' ' 58' ' ' MET . 0.8 OUTLIER -58.76 -45.28 91.3 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 C-N-CA 120.224 -0.59 . . . . 0.0 109.752 179.256 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.51 ' O ' ' HB2' ' B' ' 59' ' ' LYS . 34.2 t70 -61.19 -46.46 90.4 Favored 'General case' 0 CA--C 1.489 -1.381 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 174.337 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 56' ' ' LYS . . . . . 0.459 ' NZ ' ' OD2' ' B' ' 52' ' ' ASP . 34.6 mmtm -61.41 -39.7 91.72 Favored 'General case' 0 N--CA 1.435 -1.195 0 CA-C-N 114.848 -1.069 . . . . 0.0 109.226 -175.398 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.779 HG11 ' HG ' ' B' ' 81' ' ' LEU . 72.3 t -61.06 -48.72 87.77 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.739 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.01 178.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 58' ' ' MET . . . . . 0.544 ' O ' ' N ' ' B' ' 62' ' ' ASP . 9.3 ptm -68.12 -37.36 81.02 Favored 'General case' 0 CA--C 1.518 -0.273 0 C-N-CA 120.192 -0.603 . . . . 0.0 109.944 175.462 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 59' ' ' LYS . . . . . 0.51 ' HB2' ' O ' ' B' ' 55' ' ' ASP . 3.2 tptm -59.89 -42.88 94.78 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.545 -178.86 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 74.2 tt0 -61.6 -41.28 97.22 Favored 'General case' 0 C--O 1.241 0.609 0 N-CA-C 108.852 -0.795 . . . . 0.0 108.852 176.59 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.789 ' HG ' HD13 ' B' ' 77' ' ' LEU . 2.1 mm? -65.91 -33.37 75.67 Favored 'General case' 0 C--O 1.242 0.701 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.585 172.699 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.544 ' N ' ' O ' ' B' ' 58' ' ' MET . 34.1 t70 -61.67 -38.99 89.84 Favored 'General case' 0 CA--C 1.513 -0.474 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.693 178.144 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -62.59 -42.84 99.8 Favored 'General case' 0 CA--C 1.505 -0.766 0 N-CA-C 107.124 -1.436 . . . . 0.0 107.124 174.052 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 64' ' ' ASN . . . . . 0.494 ' HB3' ' O ' ' B' ' 61' ' ' LEU . 24.6 t-20 -62.43 -7.1 3.95 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 114.103 -1.408 . . . . 0.0 110.114 174.77 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.46 ' HA2' ' HZ3' ' B' ' 30' ' ' LYS . . . -69.48 9.16 2.6 Favored Glycine 0 CA--C 1.522 0.498 0 N-CA-C 110.206 -1.158 . . . . 0.0 110.206 174.357 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.481 ' H ' ' C ' ' B' ' 64' ' ' ASN . 29.3 t70 -59.4 -40.98 88.34 Favored 'General case' 0 CA--C 1.513 -0.455 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 177.854 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -147.93 -82.11 0.04 OUTLIER Glycine 0 C--N 1.32 -0.319 0 N-CA-C 110.207 -1.157 . . . . 0.0 110.207 179.038 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.462 ' OE1' ' NZ ' ' B' ' 27' ' ' LYS . 98.3 mt-10 -138.17 173.71 11.33 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 123.094 0.558 . . . . 0.0 109.986 179.781 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.492 HG13 ' HB3' ' B' ' 28' ' ' LEU . 0.5 OUTLIER -106.8 124.79 62.67 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.794 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 173.099 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.598 ' CG ' ' N ' ' B' ' 71' ' ' PHE . 0.0 OUTLIER -93.36 178.75 5.62 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.208 -178.801 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.598 ' N ' ' CG ' ' B' ' 70' ' ' ASP . 65.2 t80 -60.53 -45.45 93.8 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.708 -0.397 . . . . 0.0 111.025 -176.693 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.458 ' O ' HG22 ' B' ' 75' ' ' VAL . 35.0 mt-30 -60.42 -40.87 92.56 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 177.822 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.49 ' O ' HG22 ' B' ' 76' ' ' VAL . 94.3 mt-10 -68.13 -38.96 82.78 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 114.742 -1.117 . . . . 0.0 110.034 178.19 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 74' ' ' TYR . . . . . 0.785 ' CE1' HD21 ' B' ' 36' ' ' LEU . 25.7 t80 -61.83 -45.96 91.57 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.79 -0.641 . . . . 0.0 112.066 177.347 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.634 HG21 ' CB ' ' A' ' 79' ' ' ALA . 25.6 m -64.48 -40.2 88.22 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 C-N-CA 120.146 -0.622 . . . . 0.0 111.694 -176.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.539 ' O ' ' N ' ' B' ' 80' ' ' ALA . 34.7 m -64.44 -38.15 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.787 0 C-N-CA 120.124 -0.63 . . . . 0.0 111.127 179.694 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.931 HD23 HD21 ' B' ' 33' ' ' LEU . 49.1 tp -60.96 -48.93 79.55 Favored 'General case' 0 CA--C 1.511 -0.528 0 C-N-CA 120.378 -0.529 . . . . 0.0 110.661 179.359 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.632 HG12 HD23 ' B' ' 37' ' ' LEU . 32.7 m -68.9 -41.63 82.11 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.956 0 C-N-CA 119.938 -0.705 . . . . 0.0 110.607 178.151 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.589 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -61.96 -39.22 91.41 Favored 'General case' 0 CA--C 1.503 -0.832 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.014 176.617 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 80' ' ' ALA . . . . . 0.636 ' HB3' HG13 ' B' ' 57' ' ' VAL . . . -56.31 -49.24 74.87 Favored 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.264 -177.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.824 HD12 HD21 ' B' ' 37' ' ' LEU . 85.7 mt -62.95 -41.98 99.67 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-O 121.404 0.621 . . . . 0.0 109.347 174.252 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.828 HG22 ' OD1' ' B' ' 86' ' ' ASN . 8.2 m -62.15 -50.71 70.76 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.525 -177.45 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 12.0 p -63.03 -43.59 99.13 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.47 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -58.4 -50.88 72.09 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.159 177.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 85' ' ' MET . . . . . 0.643 ' SD ' ' HA ' ' B' ' 44' ' ' PHE . 27.1 ttt -68.77 -39.94 79.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.769 178.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.828 ' OD1' HG22 ' B' ' 82' ' ' THR . 5.6 m120 -56.52 -31.11 63.8 Favored 'General case' 0 CA--C 1.501 -0.94 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.541 -177.567 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -61.09 -41.18 96.19 Favored 'General case' 0 C--N 1.306 -1.319 0 C-N-CA 119.699 -0.801 . . . . 0.0 108.965 176.427 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -70.72 -42.17 70.94 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.948 175.681 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 89' ' ' PHE . . . . . 0.496 ' HB2' ' O ' ' B' ' 86' ' ' ASN . 1.3 m-85 -27.45 -59.44 0.1 Allowed 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 123.645 0.778 . . . . 0.0 112.874 -175.017 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 90' ' ' TRP . . . . . 0.476 ' CD1' ' CE1' ' A' ' 26' ' ' TYR . 1.8 m95 -83.07 -55.05 4.59 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.814 -171.408 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -70.88 -43.67 67.89 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.174 -0.921 . . . . 0.0 112.666 -173.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 -132.17 99.21 4.63 Favored 'General case' 0 CA--C 1.505 -0.777 0 CA-C-O 120.879 0.371 . . . . 0.0 110.152 -176.54 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 93' ' ' SER . . . . . 0.417 ' HB2' ' O ' ' B' ' 89' ' ' PHE . 2.6 m . . . . . 0 C--N 1.314 -0.974 0 CA-C-O 118.158 -0.925 . . . . 0.0 109.693 -178.419 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.243 0.68 0 N-CA-C 110.621 -0.992 . . . . 0.0 110.621 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.403 ' C ' ' N ' ' A' ' 4' ' ' LEU . 4.7 m -68.61 170.13 9.81 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 175.62 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.521 ' H ' ' CD ' ' A' ' 3' ' ' GLU . 56.0 mp0 -53.7 -23.82 12.71 Favored 'General case' 0 C--N 1.315 -0.925 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 175.741 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.899 HD23 ' CB ' ' B' ' 40' ' ' GLU . 2.3 tp -59.89 -46.68 88.55 Favored 'General case' 0 N--CA 1.435 -1.181 0 CA-C-N 114.407 -1.269 . . . . 0.0 110.252 -178.696 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -67.76 -45.06 76.01 Favored 'General case' 0 CA--C 1.515 -0.368 0 C-N-CA 119.467 -0.893 . . . . 0.0 109.801 177.696 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.7 m -64.24 -44.64 91.22 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.618 -179.4 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.413 ' N ' ' O ' ' A' ' 3' ' ' GLU . . . -57.36 -42.71 82.59 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-O 120.907 0.384 . . . . 0.0 110.085 -178.68 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.735 ' SD ' HD11 ' B' ' 11' ' ' LEU . 97.8 mmm -63.12 -42.45 99.53 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.296 -0.562 . . . . 0.0 110.042 178.619 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.455 ' CD ' HD22 ' B' ' 86' ' ' ASN . 61.5 mm-40 -63.54 -37.27 86.68 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-O 121.192 0.52 . . . . 0.0 110.041 174.312 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.3 m -59.68 -44.21 93.72 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 175.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.42 ' CD2' HD13 ' B' ' 4' ' ' LEU . 50.2 mt -63.52 -39.43 94.41 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.838 175.304 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.846 HG21 ' ND2' ' B' ' 86' ' ' ASN . 20.5 mm -62.02 -43.45 97.65 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.757 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 177.724 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 -59.79 -40.84 89.64 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 120.545 -0.462 . . . . 0.0 110.736 -177.159 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.688 HG21 HD23 ' B' ' 4' ' ' LEU . 97.1 t -62.61 -47.32 93.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 174.685 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.502 ' CE2' ' HB2' ' A' ' 28' ' ' LEU . 48.3 t80 -60.44 -46.85 88.54 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.641 0.734 . . . . 0.0 110.17 177.109 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.608 ' HA ' ' CH2' ' B' ' 90' ' ' TRP . 1.3 t-80 -58.79 -41.8 87.57 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.026 -0.988 . . . . 0.0 110.505 -176.711 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.09 -49.3 77.42 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.666 179.525 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.486 ' ND1' ' HB3' ' A' ' 32' ' ' GLU . 93.4 m-70 -66.88 -39.47 87.52 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 112.265 0.469 . . . . 0.0 112.265 -177.512 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 48.8 m -55.59 -41.21 73.05 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 120.062 -0.655 . . . . 0.0 109.591 177.536 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.37 -39.21 97.47 Favored Glycine 0 N--CA 1.453 -0.222 0 N-CA-C 110.443 -1.063 . . . . 0.0 110.443 176.361 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -65.29 -46.37 80.66 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 121.04 -0.264 . . . . 0.0 110.438 179.686 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.536 ' CD ' ' H ' ' A' ' 29' ' ' SER . 98.8 mt-10 -70.13 -38.79 75.63 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.53 179.696 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 117.54 -9.66 14.72 Favored Glycine 0 N--CA 1.464 0.52 0 C-N-CA 121.371 -0.442 . . . . 0.0 113.436 172.688 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -70.7 155.3 40.93 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 117.71 0.755 . . . . 0.0 110.365 178.415 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.6 mtmt -61.25 -45.6 93.86 Favored 'General case' 0 CA--C 1.487 -1.455 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 178.605 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.48 ' HB3' ' CE3' ' B' ' 90' ' ' TRP . 0.1 OUTLIER -159.38 94.53 1.18 Allowed 'General case' 0 N--CA 1.432 -1.328 0 CA-C-N 114.876 -1.057 . . . . 0.0 110.624 173.005 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.558 ' HE2' ' HB2' ' A' ' 68' ' ' GLU . 1.9 mmtm -160.39 158.22 29.17 Favored 'General case' 0 C--N 1.314 -0.946 0 C-N-CA 124.299 1.039 . . . . 0.0 108.53 173.269 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.502 ' HB2' ' CE2' ' A' ' 15' ' ' PHE . 52.7 tp -124.78 134.31 52.83 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 173.328 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.552 ' HB2' ' HG3' ' A' ' 31' ' ' LYS . 4.2 m -105.2 172.87 6.56 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 -179.686 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.532 ' CG ' ' HA2' ' A' ' 65' ' ' GLY . 1.0 OUTLIER -78.47 -5.11 51.59 Favored 'General case' 0 C--N 1.31 -1.114 0 C-N-CA 119.898 -0.721 . . . . 0.0 111.669 -175.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.552 ' HG3' ' HB2' ' A' ' 29' ' ' SER . 0.1 OUTLIER -65.75 -66.37 0.56 Allowed 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 175.452 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.486 ' HB3' ' ND1' ' A' ' 18' ' ' HIS . 72.8 mm-40 -67.47 -42.69 82.59 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 114.9 -1.045 . . . . 0.0 110.781 179.559 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.634 ' C ' HD13 ' A' ' 33' ' ' LEU . 3.0 tm? -60.63 -45.33 94.45 Favored 'General case' 0 CA--C 1.51 -0.574 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.926 -172.545 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 40.5 mtpt -62.67 -40.18 96.27 Favored 'General case' 0 N--CA 1.441 -0.925 0 C-N-CA 119.854 -0.738 . . . . 0.0 110.136 179.087 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.416 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 72.9 mt-10 -68.39 -50.83 50.21 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-O 121.038 0.447 . . . . 0.0 110.541 174.585 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.6 ' C ' HD12 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -62.97 -44.91 94.75 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 -175.422 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.663 HD13 ' C ' ' A' ' 37' ' ' LEU . 3.1 tm? -61.27 -48.02 83.35 Favored 'General case' 0 C--N 1.315 -0.916 0 C-N-CA 119.362 -0.935 . . . . 0.0 110.576 -176.507 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.428 ' HA ' HD22 ' A' ' 45' ' ' LEU . 10.6 pt20 -66.88 -42.8 84.96 Favored 'General case' 0 C--O 1.244 0.773 0 CA-C-O 121.408 0.623 . . . . 0.0 110.605 176.454 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 94.6 m -64.95 -47.9 75.98 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.58 -0.736 . . . . 0.0 112.514 -179.263 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -79.88 -37.59 34.47 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -175.161 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.57 HD22 HD21 ' A' ' 37' ' ' LEU . 10.3 mp -101.14 31.88 3.47 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-O 120.931 0.396 . . . . 0.0 110.557 -179.592 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.3 m -51.58 -38.98 56.97 Favored 'General case' 0 C--N 1.308 -1.199 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.509 -177.192 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.409 ' H ' ' H1 ' ' B' ' 1' ' ' GLY . . . -67.32 -49.21 53.68 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 111.677 -0.569 . . . . 0.0 111.677 178.012 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.61 ' CZ ' HG23 ' A' ' 82' ' ' THR . 3.6 m-85 -65.18 -42.33 93.73 Favored 'General case' 0 CA--C 1.493 -1.246 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 177.722 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.525 HD13 ' CE ' ' A' ' 58' ' ' MET . 40.6 tp -59.04 -47.25 85.92 Favored 'General case' 0 N--CA 1.43 -1.428 0 CA-C-N 114.965 -1.016 . . . . 0.0 110.82 178.003 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -64.81 -42.68 94.8 Favored 'General case' 0 C--N 1.316 -0.851 0 C-N-CA 120.438 -0.505 . . . . 0.0 111.493 174.392 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.733 ' HB1' ' CE ' ' A' ' 85' ' ' MET . . . -58.67 -48.91 79.45 Favored 'General case' 0 C--O 1.239 0.54 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.509 -176.721 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.536 ' CD ' HG11 ' A' ' 54' ' ' VAL . 0.0 OUTLIER -107.02 15.95 24.73 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -178.2 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.464 ' HB2' ' O ' ' A' ' 45' ' ' LEU . 43.8 tttp -55.7 -41.88 74.45 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 179.396 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -60.71 -25.04 66.13 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 114.479 -1.237 . . . . 0.0 111.573 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.444 ' C ' ' H ' ' A' ' 53' ' ' ALA . 51.6 t -64.97 -22.43 31.4 Favored 'Isoleucine or valine' 0 C--O 1.24 0.567 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 -178.163 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.476 ' OD1' ' NZ ' ' A' ' 56' ' ' LYS . 2.8 t70 64.67 -43.0 0.3 Allowed 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.689 -179.259 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.706 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -52.06 -26.69 11.58 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 179.77 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.536 HG11 ' CD ' ' A' ' 48' ' ' GLN . 27.1 m -60.91 -44.83 98.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 115.311 -0.858 . . . . 0.0 110.984 177.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.444 ' N ' HG23 ' A' ' 54' ' ' VAL . 23.8 t70 -60.04 -45.84 91.49 Favored 'General case' 0 CA--C 1.5 -0.976 0 CA-C-O 122.203 1.001 . . . . 0.0 108.695 174.416 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.476 ' NZ ' ' OD1' ' A' ' 52' ' ' ASP . 43.7 mttp -63.16 -35.08 79.11 Favored 'General case' 0 C--N 1.294 -1.82 0 CA-C-N 113.862 -1.517 . . . . 0.0 110.858 179.424 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 53' ' ' ALA . 92.9 t -62.58 -45.61 98.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 172.666 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.525 ' CE ' HD13 ' A' ' 45' ' ' LEU . 57.8 mtt -61.14 -41.39 96.65 Favored 'General case' 0 CA--C 1.498 -1.023 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 177.538 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.0 tptp -62.82 -39.73 95.22 Favored 'General case' 0 C--N 1.302 -1.465 0 CA-C-N 113.683 -1.599 . . . . 0.0 109.161 179.438 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' A' ' 56' ' ' LYS . 38.2 tp10 -59.64 -45.87 90.7 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 176.312 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.617 ' HG ' HD22 ' A' ' 77' ' ' LEU . 2.3 mm? -64.03 -38.67 91.92 Favored 'General case' 0 C--O 1.245 0.842 0 CA-C-N 115.362 -0.836 . . . . 0.0 110.173 173.083 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' A' ' 58' ' ' MET . 22.2 t70 -60.49 -34.94 74.78 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.056 -176.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.431 ' C ' ' H ' ' A' ' 65' ' ' GLY . 97.8 mt-10 -53.27 -45.29 68.81 Favored 'General case' 0 CA--C 1.506 -0.74 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 178.322 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.515 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . 16.0 t-20 -79.8 37.33 0.35 Allowed 'General case' 0 C--N 1.311 -1.07 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.45 176.03 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.532 ' HA2' ' CG ' ' A' ' 30' ' ' LYS . . . -93.37 -7.47 61.99 Favored Glycine 0 CA--C 1.51 -0.272 0 N-CA-C 108.979 -1.649 . . . . 0.0 108.979 177.547 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -62.77 -42.1 99.53 Favored 'General case' 0 CA--C 1.503 -0.832 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 172.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -114.62 -155.82 11.26 Favored Glycine 0 N--CA 1.437 -1.29 0 CA-C-N 114.465 -1.243 . . . . 0.0 110.362 178.553 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.558 ' HB2' ' HE2' ' A' ' 27' ' ' LYS . 1.1 mp0 -90.65 171.06 9.64 Favored 'General case' 0 C--N 1.308 -1.234 0 C-N-CA 122.397 0.279 . . . . 0.0 110.918 -178.737 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.586 HG23 ' HB2' ' A' ' 73' ' ' GLU . 2.2 p -120.25 128.63 75.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 172.249 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -96.6 -176.94 3.76 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-O 121.131 0.491 . . . . 0.0 110.965 -175.708 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.657 ' O ' HG22 ' A' ' 75' ' ' VAL . 42.2 t80 -61.22 -43.77 98.35 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.414 179.388 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -59.03 -42.32 89.91 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.321 179.617 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.586 ' HB2' HG23 ' A' ' 69' ' ' VAL . 90.6 mt-10 -69.07 -41.15 77.93 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 119.443 -0.903 . . . . 0.0 110.653 171.643 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.478 ' OH ' HD21 ' B' ' 4' ' ' LEU . 47.1 t80 -60.41 -48.49 81.54 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.52 -176.61 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.863 HG21 ' CB ' ' B' ' 79' ' ' ALA . 16.9 m -63.39 -43.99 98.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 C-N-CA 120.453 -0.499 . . . . 0.0 112.139 -179.188 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 14.6 p -65.89 -37.5 80.01 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 C-N-CA 120.172 -0.611 . . . . 0.0 110.41 178.726 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.617 HD22 ' HG ' ' A' ' 61' ' ' LEU . 47.5 tp -60.29 -48.81 80.15 Favored 'General case' 0 CA--C 1.505 -0.763 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.583 179.02 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.67 HG23 ' SD ' ' B' ' 8' ' ' MET . 29.9 m -69.54 -40.57 79.79 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.962 0 C-N-CA 119.944 -0.702 . . . . 0.0 110.78 176.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.704 ' CB ' HG21 ' B' ' 75' ' ' VAL . . . -63.34 -42.46 98.93 Favored 'General case' 0 CA--C 1.507 -0.676 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.949 179.209 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.05 -48.57 79.72 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.493 0.663 . . . . 0.0 109.313 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.508 HD13 HD11 ' A' ' 37' ' ' LEU . 92.3 mt -63.58 -43.61 96.48 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-N 115.014 -0.994 . . . . 0.0 109.557 177.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.61 HG23 ' CZ ' ' A' ' 44' ' ' PHE . 22.3 m -64.19 -49.11 73.32 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 112.886 0.699 . . . . 0.0 112.886 178.652 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 12.8 p -61.57 -42.43 94.02 Favored 'Isoleucine or valine' 0 C--O 1.24 0.583 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.742 -174.548 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -54.79 -52.03 63.9 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.333 178.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.733 ' CE ' ' HB1' ' A' ' 47' ' ' ALA . 15.3 tpt -68.91 -42.39 76.91 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.605 177.687 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.637 ' OD1' HG21 ' B' ' 12' ' ' ILE . 0.6 OUTLIER -61.71 -32.36 72.57 Favored 'General case' 0 CA--C 1.507 -0.687 0 C-N-CA 119.815 -0.754 . . . . 0.0 111.68 -174.247 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -56.02 -40.62 73.69 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 175.188 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.45 ' HB3' ' O ' ' A' ' 85' ' ' MET . 92.2 t80 -60.0 -45.61 92.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.061 172.591 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 18.7 m-30 -59.22 -43.66 92.31 Favored 'General case' 0 CA--C 1.513 -0.449 0 C-N-CA 120.791 -0.363 . . . . 0.0 110.354 178.529 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.681 ' HZ2' HG23 ' B' ' 12' ' ' ILE . 9.1 m0 -67.56 -42.44 82.63 Favored 'General case' 0 C--N 1.317 -0.825 0 C-N-CA 120.121 -0.632 . . . . 0.0 109.669 -179.402 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 84.7 mt-10 -71.99 -45.37 61.21 Favored 'General case' 0 C--N 1.318 -0.804 0 C-N-CA 120.261 -0.575 . . . . 0.0 111.283 178.49 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -89.92 99.27 12.31 Favored 'General case' 0 CA--C 1.503 -0.843 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 176.168 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.204 -1.31 0 CA-C-O 117.677 -1.154 . . . . 0.0 109.216 -177.583 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 1' ' ' GLY . . . . . 0.409 ' H1 ' ' H ' ' A' ' 43' ' ' GLY . . . . . . . . 0 CA--C 1.521 0.453 0 N-CA-C 111.31 -0.716 . . . . 0.0 111.31 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 2' ' ' SER . . . . . 0.422 ' C ' ' N ' ' B' ' 4' ' ' LEU . 75.1 m -75.18 175.31 8.4 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -176.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.469 ' H ' ' CD ' ' B' ' 3' ' ' GLU . 1.4 mp0 -54.03 -17.73 2.91 Favored 'General case' 0 CA--C 1.516 -0.342 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 174.02 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.688 HD23 HG21 ' A' ' 14' ' ' VAL . 0.2 OUTLIER -59.05 -42.71 90.93 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 114.385 -1.279 . . . . 0.0 108.113 179.525 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -65.67 -44.39 86.4 Favored 'General case' 0 N--CA 1.442 -0.839 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.891 176.357 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 7.3 m -61.83 -46.0 91.36 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 121.243 0.544 . . . . 0.0 109.599 178.657 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.75 -45.78 91.16 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.541 176.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 8' ' ' MET . . . . . 0.67 ' SD ' HG23 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -62.2 -43.24 99.28 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 177.812 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 9' ' ' GLU . . . . . 0.446 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 5.5 mm-40 -61.01 -38.95 87.88 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.782 177.036 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.41 HG21 ' HB3' ' A' ' 3' ' ' GLU . 9.8 m -59.66 -44.47 93.55 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 178.629 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.735 HD11 ' SD ' ' A' ' 8' ' ' MET . 0.3 OUTLIER -61.92 -41.45 97.94 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 173.758 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.681 HG23 ' HZ2' ' A' ' 90' ' ' TRP . 18.5 mm -62.47 -43.67 98.54 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.432 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.156 179.587 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 13' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 40.0 m-80 -58.62 -44.12 89.88 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.534 -173.879 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.673 HG21 HD22 ' A' ' 4' ' ' LEU . 94.7 t -64.05 -47.94 88.09 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 C-N-CA 120.054 -0.659 . . . . 0.0 110.324 176.8 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -59.92 -47.91 83.84 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 177.344 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -61.04 -46.41 90.8 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.962 -178.579 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.98 -48.3 78.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.944 0.402 . . . . 0.0 110.341 178.381 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.423 ' HB3' ' CD1' ' B' ' 28' ' ' LEU . 75.0 m-70 -71.73 -29.3 64.38 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.203 -0.453 . . . . 0.0 112.052 179.497 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.452 ' HA ' ' O ' ' B' ' 27' ' ' LYS . 52.1 m -52.8 -46.22 67.57 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 -174.08 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.08 -16.28 59.62 Favored Glycine 0 CA--C 1.526 0.761 0 C-N-CA 121.007 -0.616 . . . . 0.0 112.095 -177.476 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -64.11 -40.04 95.36 Favored 'General case' 0 C--O 1.242 0.706 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 -172.477 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.487 ' HG3' ' H ' ' B' ' 23' ' ' GLY . 0.0 OUTLIER -85.63 -69.79 0.64 Allowed 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 113.928 1.085 . . . . 0.0 113.928 -171.682 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 23' ' ' GLY . . . . . 0.487 ' H ' ' HG3' ' B' ' 22' ' ' GLU . . . -169.35 -52.65 0.03 OUTLIER Glycine 0 CA--C 1.526 0.731 0 N-CA-C 112.09 -0.404 . . . . 0.0 112.09 -177.513 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.402 ' HB3' ' HB2' ' B' ' 27' ' ' LYS . 9.0 t70 -71.8 145.82 48.44 Favored 'General case' 0 CA--C 1.506 -0.728 0 O-C-N 122.387 -0.478 . . . . 0.0 109.956 179.18 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.641 ' NZ ' ' OH ' ' B' ' 26' ' ' TYR . 14.8 mtmm -61.83 -40.71 96.25 Favored 'General case' 0 CA--C 1.489 -1.401 0 C-N-CA 119.587 -0.845 . . . . 0.0 108.88 179.057 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.641 ' OH ' ' NZ ' ' B' ' 25' ' ' LYS . 0.0 OUTLIER -125.22 90.32 3.21 Favored 'General case' 0 N--CA 1.429 -1.494 0 C-N-CA 119.111 -1.035 . . . . 0.0 110.769 179.283 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.497 ' HG2' ' O ' ' B' ' 26' ' ' TYR . 5.5 mmtp -165.55 159.06 16.3 Favored 'General case' 0 CA--C 1.491 -1.29 0 CA-C-N 114.274 -1.33 . . . . 0.0 108.685 168.658 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.571 HD21 HD23 ' B' ' 36' ' ' LEU . 40.9 tp -124.56 128.07 48.37 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 107.574 -1.269 . . . . 0.0 107.574 169.668 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.434 ' HA ' ' O ' ' B' ' 67' ' ' GLY . 0.3 OUTLIER -85.14 159.08 20.22 Favored 'General case' 0 C--N 1.31 -1.121 0 C-N-CA 119.859 -0.736 . . . . 0.0 109.761 -179.734 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.648 ' HG3' ' CA ' ' B' ' 65' ' ' GLY . 31.5 mmtm -74.39 -8.87 57.73 Favored 'General case' 0 CA--C 1.508 -0.672 0 C-N-CA 119.02 -1.072 . . . . 0.0 111.061 -177.643 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 3.4 ptpt -69.05 -47.02 66.41 Favored 'General case' 0 N--CA 1.442 -0.862 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 175.026 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.492 ' O ' ' HB3' ' B' ' 36' ' ' LEU . 69.5 mm-40 -71.33 -37.49 71.72 Favored 'General case' 0 N--CA 1.439 -1.004 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.495 172.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.894 HD11 ' CD2' ' B' ' 77' ' ' LEU . 3.1 tm? -58.27 -47.5 83.4 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.987 -172.633 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -64.39 -43.22 95.13 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 118.882 -1.127 . . . . 0.0 110.699 177.391 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.41 ' O ' ' HG2' ' B' ' 38' ' ' GLN . 61.1 mm-40 -61.36 -48.63 80.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.409 0.624 . . . . 0.0 109.674 178.161 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.842 HD21 ' CE1' ' B' ' 74' ' ' TYR . 1.7 tp -62.9 -52.39 63.25 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-N 115.307 -0.86 . . . . 0.0 112.042 177.868 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.572 HD23 HG12 ' B' ' 78' ' ' VAL . 2.6 tm? -63.33 -45.01 93.27 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.375 -175.521 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.41 ' HG2' ' O ' ' B' ' 35' ' ' GLU . 12.3 pt20 -65.88 -38.01 87.66 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.169 0.509 . . . . 0.0 110.319 178.261 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.409 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 52.2 m -73.11 -61.0 1.97 Allowed 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.311 -0.859 . . . . 0.0 112.364 -175.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.899 ' CB ' HD23 ' A' ' 4' ' ' LEU . 80.3 mm-40 -69.97 -42.11 73.56 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.176 0.436 . . . . 0.0 112.176 -172.655 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.471 ' HB2' HD22 ' B' ' 37' ' ' LEU . 4.1 mp -99.24 32.88 2.58 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.312 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.61 -35.0 67.77 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.589 -178.628 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -64.13 -50.36 60.84 Favored Glycine 0 N--CA 1.446 -0.652 0 N-CA-C 110.408 -1.077 . . . . 0.0 110.408 176.569 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.657 ' CZ ' HG23 ' B' ' 82' ' ' THR . 46.1 m-85 -62.65 -45.69 91.66 Favored 'General case' 0 CA--C 1.503 -0.837 0 CA-C-O 121.181 0.515 . . . . 0.0 109.762 177.429 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.475 ' O ' HD12 ' B' ' 45' ' ' LEU . 3.1 tp -60.5 -48.85 79.95 Favored 'General case' 0 N--CA 1.436 -1.171 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.947 -179.49 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -65.86 -40.68 91.92 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 112.481 0.548 . . . . 0.0 112.481 176.001 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 47' ' ' ALA . . . . . 0.612 ' CB ' ' SD ' ' B' ' 85' ' ' MET . . . -59.42 -37.09 77.17 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.829 -0.623 . . . . 0.0 112.61 -171.568 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.482 HE22 ' CG2' ' B' ' 54' ' ' VAL . 0.9 OUTLIER -123.48 37.17 4.47 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 -174.817 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.543 ' HA ' HG11 ' B' ' 54' ' ' VAL . 7.0 mtmp? -62.24 -39.15 91.87 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 107.798 -1.186 . . . . 0.0 107.798 173.651 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -64.38 -23.39 67.27 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 113.919 -1.491 . . . . 0.0 111.151 179.552 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 51' ' ' VAL . . . . . 0.506 ' C ' ' H ' ' B' ' 53' ' ' ALA . 40.8 t -71.92 -18.4 19.58 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 CA-C-O 120.664 0.269 . . . . 0.0 110.279 -179.689 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 16.1 t70 66.22 -38.34 0.29 Allowed 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.667 -178.378 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.506 ' H ' ' C ' ' B' ' 51' ' ' VAL . . . -53.54 -26.18 20.06 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.551 -179.318 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.543 HG11 ' HA ' ' B' ' 49' ' ' LYS . 7.6 p -58.23 -43.74 86.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 177.37 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.496 ' OD1' ' NZ ' ' B' ' 59' ' ' LYS . 9.7 t70 -59.7 -45.17 92.95 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.081 174.108 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 56' ' ' LYS . . . . . 0.595 ' N ' ' CD ' ' B' ' 56' ' ' LYS . 6.2 mptt -63.56 -42.77 98.34 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.958 -179.651 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.527 HG12 ' CD1' ' B' ' 77' ' ' LEU . 91.7 t -62.06 -45.5 98.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 176.552 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 58' ' ' MET . . . . . 0.531 ' SD ' HD12 ' B' ' 37' ' ' LEU . 14.7 mmm -61.05 -41.46 96.64 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 175.671 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 59' ' ' LYS . . . . . 0.496 ' NZ ' ' OD1' ' B' ' 55' ' ' ASP . 0.0 OUTLIER -62.88 -43.18 99.49 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 114.561 -1.2 . . . . 0.0 110.525 -179.665 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -60.34 -41.15 93.0 Favored 'General case' 0 C--N 1.31 -1.128 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 -178.109 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.735 ' HG ' HD13 ' B' ' 77' ' ' LEU . 1.2 mm? -62.78 -34.7 77.8 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.353 176.479 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.42 ' HB2' ' O ' ' B' ' 59' ' ' LYS . 39.3 m-20 -60.97 -34.57 74.97 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.506 178.405 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -57.16 -42.2 80.6 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 -179.412 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 64' ' ' ASN . . . . . 0.468 ' O ' ' NZ ' ' B' ' 30' ' ' LYS . 42.7 t30 -104.82 20.92 17.87 Favored 'General case' 0 C--N 1.309 -1.193 0 N-CA-C 107.906 -1.146 . . . . 0.0 107.906 175.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.648 ' CA ' ' HG3' ' B' ' 30' ' ' LYS . . . -113.64 30.94 6.89 Favored Glycine 0 N--CA 1.437 -1.241 0 CA-C-N 115.004 -0.998 . . . . 0.0 111.586 -169.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -63.46 -34.38 77.64 Favored 'General case' 0 C--N 1.314 -0.963 0 C-N-CA 119.969 -0.692 . . . . 0.0 109.367 176.459 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 67' ' ' GLY . . . . . 0.545 ' O ' ' N ' ' B' ' 30' ' ' LYS . . . -159.27 -58.67 0.01 OUTLIER Glycine 0 C--O 1.223 -0.574 0 C-N-CA 120.226 -0.987 . . . . 0.0 113.425 -178.601 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.566 ' O ' ' NZ ' ' B' ' 30' ' ' LYS . 46.5 mt-10 -95.95 153.78 17.58 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 -171.422 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.521 HG11 ' HB2' ' B' ' 33' ' ' LEU . 2.4 p -144.4 134.16 19.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 168.518 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -98.34 179.85 4.59 Favored 'General case' 0 C--N 1.32 -0.717 0 C-N-CA 120.399 -0.52 . . . . 0.0 110.014 -179.36 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.62 ' O ' HG13 ' B' ' 75' ' ' VAL . 53.0 t80 -61.85 -44.6 96.49 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.327 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.5 ' O ' HG22 ' B' ' 75' ' ' VAL . 48.4 mt-30 -60.16 -46.16 90.63 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.06 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.567 ' O ' HG12 ' B' ' 76' ' ' VAL . 42.0 tt0 -66.85 -40.18 87.84 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-O 121.669 0.747 . . . . 0.0 109.952 175.105 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 74' ' ' TYR . . . . . 0.845 ' OH ' HD21 ' A' ' 4' ' ' LEU . 36.6 t80 -60.08 -47.8 84.35 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.524 179.309 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.704 HG21 ' CB ' ' A' ' 79' ' ' ALA . 14.0 m -63.39 -42.32 95.9 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 C-N-CA 119.852 -0.739 . . . . 0.0 111.514 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.567 HG12 ' O ' ' B' ' 73' ' ' GLU . 2.4 p -63.44 -40.89 90.72 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.506 0 C-N-CA 120.353 -0.539 . . . . 0.0 110.818 -178.058 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.894 ' CD2' HD11 ' B' ' 33' ' ' LEU . 44.9 tp -61.06 -50.32 73.79 Favored 'General case' 0 CA--C 1.511 -0.523 0 C-N-CA 120.806 -0.358 . . . . 0.0 111.286 178.81 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.572 HG12 HD23 ' B' ' 37' ' ' LEU . 18.4 m -66.68 -42.14 89.16 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.072 0 C-N-CA 119.899 -0.721 . . . . 0.0 110.14 178.361 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.863 ' CB ' HG21 ' A' ' 75' ' ' VAL . . . -63.04 -42.45 99.75 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.249 178.516 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 80' ' ' ALA . . . . . 0.441 ' O ' HG12 ' B' ' 83' ' ' VAL . . . -56.35 -49.12 75.3 Favored 'General case' 0 CA--C 1.513 -0.46 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 -179.424 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.456 HD12 HD21 ' B' ' 37' ' ' LEU . 94.4 mt -63.7 -41.75 98.08 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.796 175.332 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.657 HG23 ' CZ ' ' B' ' 44' ' ' PHE . 21.0 m -61.5 -50.11 74.04 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.077 -178.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.441 HG12 ' O ' ' B' ' 80' ' ' ALA . 13.4 p -61.13 -43.75 96.93 Favored 'Isoleucine or valine' 0 C--O 1.237 0.43 0 C-N-CA 120.824 -0.351 . . . . 0.0 111.081 -177.167 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -58.74 -52.8 64.14 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 120.261 -0.576 . . . . 0.0 110.759 179.661 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 85' ' ' MET . . . . . 0.612 ' SD ' ' CB ' ' B' ' 47' ' ' ALA . 33.2 ttp -69.41 -40.19 77.47 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 120.207 -0.597 . . . . 0.0 109.808 178.22 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.846 ' ND2' HG21 ' A' ' 12' ' ' ILE . 20.6 t-20 -60.33 -39.18 86.16 Favored 'General case' 0 CA--C 1.506 -0.729 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.354 -175.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -44.99 -28.74 0.72 Allowed 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.797 -178.325 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -65.09 -37.92 89.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.651 176.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 89' ' ' PHE . . . . . 0.495 ' N ' ' O ' ' B' ' 86' ' ' ASN . 16.0 m-85 -55.76 -29.17 59.16 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-O 120.91 0.386 . . . . 0.0 111.095 -179.346 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 90' ' ' TRP . . . . . 0.608 ' CH2' ' HA ' ' A' ' 16' ' ' HIS . 23.7 m95 -71.98 -64.85 0.85 Allowed 'General case' 0 C--N 1.312 -1.032 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -66.01 -38.36 88.26 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 114.538 -1.21 . . . . 0.0 111.684 -178.343 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 64.2 t-20 -80.2 100.23 8.2 Favored 'General case' 0 CA--C 1.506 -0.746 0 N-CA-C 107.286 -1.376 . . . . 0.0 107.286 174.025 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 2.8 m . . . . . 0 C--O 1.202 -1.408 0 CA-C-N 115.171 -0.922 . . . . 0.0 110.696 -170.513 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.503 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.435 ' C ' ' N ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -75.82 -173.57 2.3 Favored 'General case' 0 C--O 1.242 0.691 0 CA-C-O 121.071 0.462 . . . . 0.0 111.061 -178.752 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.44 ' H ' ' CD ' ' A' ' 3' ' ' GLU . 1.9 mp0 -51.66 -19.01 1.36 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.012 -0.994 . . . . 0.0 108.555 173.753 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.554 HD23 HG21 ' B' ' 14' ' ' VAL . 0.1 OUTLIER -58.19 -49.41 77.14 Favored 'General case' 0 N--CA 1.442 -0.857 0 CA-C-N 114.959 -1.018 . . . . 0.0 109.289 -175.889 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -67.03 -44.48 80.14 Favored 'General case' 0 N--CA 1.44 -0.948 0 C-N-CA 120.334 -0.546 . . . . 0.0 110.228 -179.532 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.1 m -61.39 -44.88 96.39 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.167 -0.469 . . . . 0.0 109.949 177.724 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.91 -47.41 77.5 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 178.08 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.637 ' SD ' HD11 ' B' ' 11' ' ' LEU . 92.2 mmm -65.32 -41.32 94.12 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.279 -0.568 . . . . 0.0 110.365 178.231 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -64.34 -37.95 89.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.03 0.443 . . . . 0.0 109.979 177.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 17.0 m -58.1 -44.34 87.6 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 177.305 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.666 HD11 ' SD ' ' B' ' 8' ' ' MET . 81.9 mt -63.02 -40.67 98.45 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.19 174.29 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.535 HD13 ' CD1' ' A' ' 71' ' ' PHE . 21.7 mm -61.78 -43.88 97.94 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.646 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 178.124 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -59.68 -45.76 91.1 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.722 -176.167 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.874 HG21 HD11 ' B' ' 4' ' ' LEU . 82.9 t -65.09 -46.55 90.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.005 0.431 . . . . 0.0 110.186 176.358 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.4 ' CE2' ' HB2' ' A' ' 28' ' ' LEU . 61.7 t80 -59.13 -49.51 77.6 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.667 0.746 . . . . 0.0 109.331 177.467 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.461 ' N ' ' O ' ' A' ' 12' ' ' ILE . 2.2 t60 -66.13 -41.99 89.72 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 114.678 -1.146 . . . . 0.0 111.318 -177.756 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.405 ' O ' ' HD3' ' A' ' 21' ' ' LYS . . . -55.84 -45.96 78.26 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 179.648 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.458 ' O ' ' HB2' ' A' ' 21' ' ' LYS . 72.6 m-70 -69.33 -32.92 72.34 Favored 'General case' 0 CA--C 1.513 -0.453 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.297 177.514 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.466 ' HB3' ' O ' ' A' ' 25' ' ' LYS . 23.2 m -51.38 -37.61 49.04 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 174.575 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.39 -34.23 88.77 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.072 -0.811 . . . . 0.0 111.072 176.737 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.458 ' HB2' ' O ' ' A' ' 18' ' ' HIS . 1.4 mptp? -61.04 -68.19 0.33 Allowed 'General case' 0 C--O 1.233 0.212 0 CA-C-O 120.772 0.32 . . . . 0.0 110.797 -178.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.49 -46.73 88.78 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.276 -177.364 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 101.69 9.01 44.55 Favored Glycine 0 CA--C 1.533 1.175 0 N-CA-C 115.442 0.937 . . . . 0.0 115.442 169.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -59.13 -51.43 70.03 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-N 119.242 1.521 . . . . 0.0 109.4 177.695 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.514 ' HE2' ' CZ ' ' A' ' 26' ' ' TYR . 20.5 ptmt 160.21 -141.91 0.0 OUTLIER 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 104.431 -2.433 . . . . 0.0 104.431 -178.619 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.514 ' CZ ' ' HE2' ' A' ' 25' ' ' LYS . 18.2 p90 -76.45 92.54 3.41 Favored 'General case' 0 N--CA 1.442 -0.845 0 C-N-CA 117.416 -1.714 . . . . 0.0 109.472 170.633 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.422 ' HA ' ' HD2' ' A' ' 27' ' ' LYS . 3.1 mmmm -156.14 166.62 32.92 Favored 'General case' 0 CA--C 1.495 -1.166 0 N-CA-C 107.544 -1.28 . . . . 0.0 107.544 175.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.426 ' HB3' ' O ' ' A' ' 69' ' ' VAL . 43.7 tp -125.99 125.99 43.59 Favored 'General case' 0 N--CA 1.429 -1.492 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 170.415 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.8 p -90.12 157.61 17.68 Favored 'General case' 0 C--N 1.3 -1.562 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 177.039 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.572 ' HG3' ' HA2' ' A' ' 65' ' ' GLY . 2.0 mmmm -68.6 -6.27 24.73 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 119.225 -0.99 . . . . 0.0 109.159 177.246 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -63.86 -44.26 93.66 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 114.585 -1.188 . . . . 0.0 108.364 177.74 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -99.49 -25.18 14.53 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 113.839 -1.528 . . . . 0.0 111.076 -173.691 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.701 HD11 ' CD2' ' A' ' 77' ' ' LEU . 2.9 tm? -60.67 -43.53 97.56 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.045 -175.805 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.424 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 72.9 mmtt -62.27 -43.88 97.81 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.347 -0.541 . . . . 0.0 109.892 176.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -60.87 -60.23 4.12 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.242 -0.435 . . . . 0.0 112.006 -179.619 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.1 pp -66.51 -40.34 89.14 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 119.692 -0.803 . . . . 0.0 111.816 -175.77 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.665 HD21 HD22 ' A' ' 41' ' ' LEU . 3.0 tm? -61.77 -46.99 87.2 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.257 -0.577 . . . . 0.0 110.378 -177.246 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.507 ' HB2' HD22 ' A' ' 45' ' ' LEU . 17.2 pt20 -67.72 -41.47 83.44 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 119.646 -0.822 . . . . 0.0 110.371 175.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 96.1 m -63.99 -52.84 57.72 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.757 -178.212 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.641 ' HB3' HD12 ' B' ' 4' ' ' LEU . 69.0 mm-40 -76.22 -41.01 50.68 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.036 -0.529 . . . . 0.0 112.323 -171.064 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.665 HD22 HD21 ' A' ' 37' ' ' LEU . 10.4 mp -94.14 45.3 1.13 Allowed 'General case' 0 C--O 1.242 0.681 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.745 -177.201 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.522 ' HB2' ' H1 ' ' B' ' 1' ' ' GLY . 0.7 OUTLIER -56.24 -37.33 69.6 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.152 -173.832 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.41 -47.33 63.72 Favored Glycine 0 C--O 1.242 0.614 0 N-CA-C 111.65 -0.58 . . . . 0.0 111.65 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.471 ' CD1' ' SD ' ' A' ' 85' ' ' MET . 80.3 m-85 -68.02 -39.15 83.2 Favored 'General case' 0 CA--C 1.501 -0.918 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 177.789 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.507 HD22 ' HB2' ' A' ' 38' ' ' GLN . 50.2 tp -60.64 -44.6 96.19 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.393 176.366 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.405 ' HA ' ' HZ2' ' A' ' 49' ' ' LYS . 25.9 t70 -59.92 -47.94 83.71 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.511 177.677 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.587 ' HB3' ' SD ' ' A' ' 85' ' ' MET . . . -70.48 -38.57 74.39 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.711 179.342 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.444 ' HG3' HD22 ' A' ' 81' ' ' LEU . 27.3 mm100 -76.03 10.09 2.1 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 -174.095 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.405 ' HZ2' ' HA ' ' A' ' 46' ' ' ASP . 41.2 mttp -64.01 -42.41 97.15 Favored 'General case' 0 C--N 1.313 -1.02 0 N-CA-C 112.508 0.558 . . . . 0.0 112.508 177.177 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -117.73 37.61 3.88 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 -177.104 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.642 ' O ' HG12 ' A' ' 54' ' ' VAL . 74.5 t -115.73 136.07 53.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 -179.161 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.409 ' O ' ' HG2' ' A' ' 56' ' ' LYS . 36.1 t70 -62.19 -37.97 87.33 Favored 'General case' 0 C--O 1.246 0.896 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.426 -175.705 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.424 ' H ' HG12 ' A' ' 51' ' ' VAL . . . -58.45 -41.11 84.4 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.502 -0.772 . . . . 0.0 112.462 -172.753 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.642 HG12 ' O ' ' A' ' 51' ' ' VAL . 13.0 p -54.93 -42.86 65.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 C-N-CA 120.189 -0.604 . . . . 0.0 110.561 -175.017 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.445 ' HB3' ' HZ2' ' A' ' 56' ' ' LYS . 15.4 t70 -58.55 -49.47 77.32 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.954 0.407 . . . . 0.0 110.928 177.508 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.445 ' HZ2' ' HB3' ' A' ' 55' ' ' ASP . 34.5 mmtm -66.36 -43.77 85.07 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.367 -177.666 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.645 HG12 HD12 ' A' ' 77' ' ' LEU . 95.6 t -66.1 -44.56 91.79 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 115.458 -0.792 . . . . 0.0 108.978 178.316 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.403 ' CB ' ' O ' ' A' ' 54' ' ' VAL . 53.3 ttp -60.89 -39.12 88.07 Favored 'General case' 0 N--CA 1.431 -1.397 0 CA-C-N 114.61 -1.177 . . . . 0.0 109.615 175.345 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.518 ' O ' ' HG2' ' A' ' 63' ' ' GLU . 0.1 OUTLIER -59.73 -45.15 93.07 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 179.455 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 -61.5 -43.81 98.2 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 123.475 0.484 . . . . 0.0 110.453 -178.666 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.725 ' HG ' HD13 ' A' ' 77' ' ' LEU . 1.3 mm? -62.39 -40.11 95.43 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 175.025 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.479 ' OD2' ' NZ ' ' A' ' 59' ' ' LYS . 11.5 t70 -61.99 -39.92 93.87 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.468 177.186 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.518 ' HG2' ' O ' ' A' ' 59' ' ' LYS . 73.0 mm-40 -56.16 -40.26 73.61 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 179.231 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -90.92 19.45 5.59 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 114.723 -1.126 . . . . 0.0 110.792 176.54 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.572 ' HA2' ' HG3' ' A' ' 30' ' ' LYS . . . -78.97 -6.09 88.82 Favored Glycine 0 C--O 1.237 0.295 0 N-CA-C 108.548 -1.821 . . . . 0.0 108.548 174.216 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -61.76 -37.7 85.25 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-N 114.704 -0.748 . . . . 0.0 109.048 177.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -133.18 -137.71 3.93 Favored Glycine 0 C--O 1.241 0.535 0 N-CA-C 110.559 -1.016 . . . . 0.0 110.559 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -89.78 171.77 9.39 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 -177.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.484 HG23 ' CG ' ' A' ' 73' ' ' GLU . 0.9 OUTLIER -117.81 126.23 74.67 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 172.44 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.57 -178.08 4.78 Favored 'General case' 0 C--N 1.318 -0.795 0 C-N-CA 120.324 -0.55 . . . . 0.0 110.52 -176.876 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.535 ' CD1' HD13 ' A' ' 12' ' ' ILE . 44.9 t80 -61.38 -44.76 96.61 Favored 'General case' 0 C--N 1.305 -1.361 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.091 -179.639 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -60.43 -45.09 94.88 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.851 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.49 ' O ' HG12 ' A' ' 76' ' ' VAL . 61.8 tt0 -65.83 -41.76 91.39 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.476 174.764 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 23.2 t80 -61.43 -48.22 82.17 Favored 'General case' 0 C--O 1.237 0.418 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 178.677 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.838 HG21 ' CB ' ' B' ' 79' ' ' ALA . 33.4 m -64.38 -39.84 86.96 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 C-N-CA 119.662 -0.815 . . . . 0.0 112.162 -177.494 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.49 HG12 ' O ' ' A' ' 73' ' ' GLU . 14.4 p -64.38 -35.36 74.01 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.84 0 C-N-CA 119.889 -0.725 . . . . 0.0 110.128 -179.436 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.725 HD13 ' HG ' ' A' ' 61' ' ' LEU . 53.3 tp -60.96 -49.75 76.18 Favored 'General case' 0 CA--C 1.515 -0.398 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.367 178.754 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.502 HG12 HD23 ' A' ' 37' ' ' LEU . 14.2 m -70.46 -43.67 77.83 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.668 0 C-N-CA 120.147 -0.621 . . . . 0.0 110.821 177.802 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.886 ' CB ' HG21 ' B' ' 75' ' ' VAL . . . -64.27 -41.96 96.67 Favored 'General case' 0 CA--C 1.511 -0.549 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.565 -179.163 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.89 -48.13 80.77 Favored 'General case' 0 CA--C 1.508 -0.658 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 179.566 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.444 HD22 ' HG3' ' A' ' 48' ' ' GLN . 97.0 mt -62.48 -41.7 98.97 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.371 175.102 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.439 ' HA ' ' CE1' ' A' ' 44' ' ' PHE . 20.6 m -61.3 -52.29 65.34 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.967 179.409 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.652 HG11 ' HG3' ' B' ' 72' ' ' GLN . 12.8 p -64.33 -37.84 81.0 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.468 0 C-N-CA 119.566 -0.853 . . . . 0.0 110.412 178.607 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -56.18 -57.94 10.05 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.156 177.579 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.587 ' SD ' ' HB3' ' A' ' 47' ' ' ALA . 80.1 mtp -66.9 -42.94 84.61 Favored 'General case' 0 CA--C 1.515 -0.374 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 176.51 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.472 ' O ' ' N ' ' A' ' 89' ' ' PHE . 7.3 m120 -62.09 -37.12 83.86 Favored 'General case' 0 CA--C 1.501 -0.931 0 C-N-CA 120.744 -0.382 . . . . 0.0 111.061 -176.784 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.408 ' HB2' ' O ' ' A' ' 83' ' ' VAL . 3.6 t-20 -49.24 -37.11 22.16 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 120.9 0.381 . . . . 0.0 110.044 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -61.96 -33.42 74.27 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.313 176.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.48 ' N ' ' HD1' ' A' ' 89' ' ' PHE . 2.1 m-30 -59.64 -43.62 93.79 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 -176.519 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.594 ' CE3' ' CE1' ' B' ' 16' ' ' HIS . 5.5 m95 -64.56 -47.14 79.85 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 178.014 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -69.8 -46.87 64.78 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 114.907 -1.042 . . . . 0.0 111.112 -175.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -87.57 99.84 12.34 Favored 'General case' 0 CA--C 1.497 -1.073 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 175.215 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 C--O 1.205 -1.269 0 CA-C-O 118.089 -0.958 . . . . 0.0 109.965 -174.727 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' GLY . . . . . 0.522 ' H1 ' ' HB2' ' A' ' 42' ' ' SER . . . . . . . . 0 C--O 1.237 0.314 0 N-CA-C 110.571 -1.012 . . . . 0.0 110.571 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 9.4 m -77.38 173.48 11.89 Favored 'General case' 0 C--O 1.244 0.807 0 CA-C-O 121.207 0.527 . . . . 0.0 111.679 -178.786 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.623 ' H ' ' CD ' ' B' ' 3' ' ' GLU . 1.9 mp0 -53.65 -17.5 2.25 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.905 178.429 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.874 HD11 HG21 ' A' ' 14' ' ' VAL . 44.9 mt -60.16 -40.93 91.63 Favored 'General case' 0 CA--C 1.504 -0.823 0 N-CA-C 108.976 -0.749 . . . . 0.0 108.976 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -60.02 -42.54 94.55 Favored 'General case' 0 N--CA 1.442 -0.851 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 177.206 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 8.5 m -63.39 -45.12 92.54 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.743 174.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.05 -45.97 82.8 Favored 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 177.129 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 8' ' ' MET . . . . . 0.666 ' SD ' HD11 ' A' ' 11' ' ' LEU . 92.0 mmm -64.25 -41.98 96.71 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.803 177.487 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 9' ' ' GLU . . . . . 0.544 ' O ' ' N ' ' B' ' 13' ' ' ASN . 71.4 mt-10 -63.34 -38.61 91.81 Favored 'General case' 0 C--O 1.222 -0.391 0 C-N-CA 120.073 -0.651 . . . . 0.0 109.267 175.668 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 15.6 m -58.47 -43.72 89.04 Favored 'General case' 0 C--N 1.314 -0.941 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 177.237 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.637 HD11 ' SD ' ' A' ' 8' ' ' MET . 96.4 mt -62.88 -41.48 99.42 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 174.796 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.517 HD13 ' CD1' ' B' ' 71' ' ' PHE . 21.5 mm -62.79 -42.73 97.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 177.119 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 13' ' ' ASN . . . . . 0.544 ' N ' ' O ' ' B' ' 9' ' ' GLU . 96.6 m-20 -58.52 -45.75 88.18 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 -174.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.554 HG21 HD23 ' A' ' 4' ' ' LEU . 85.8 t -64.45 -46.5 92.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 175.84 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.533 ' CE2' ' HB2' ' B' ' 28' ' ' LEU . 52.2 t80 -58.31 -46.46 86.11 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.316 -0.856 . . . . 0.0 109.823 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.594 ' CE1' ' CE3' ' A' ' 90' ' ' TRP . 1.3 t-80 -55.93 -43.87 77.82 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.559 -178.556 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.76 -49.86 76.07 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.151 -178.111 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.695 ' CD2' HD22 ' B' ' 36' ' ' LEU . 96.7 m-70 -67.5 -39.84 85.19 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.098 -0.501 . . . . 0.0 112.318 -176.553 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 67.3 m -57.43 -42.86 83.21 Favored 'General case' 0 C--O 1.233 0.204 0 C-N-CA 120.094 -0.642 . . . . 0.0 109.634 177.318 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.33 -42.25 99.73 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 110.406 -1.078 . . . . 0.0 110.406 177.362 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 12.3 mmtp -65.78 -46.06 80.16 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 122.62 -0.341 . . . . 0.0 111.445 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.531 ' CD ' ' H ' ' B' ' 29' ' ' SER . 99.5 mt-10 -69.08 -39.68 78.89 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.429 178.859 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 118.76 -24.46 8.42 Favored Glycine 0 CA--C 1.523 0.572 0 C-N-CA 121.087 -0.578 . . . . 0.0 113.633 172.376 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -62.8 145.58 54.61 Favored 'General case' 0 CA--C 1.504 -0.815 0 CA-C-N 118.166 0.983 . . . . 0.0 110.079 179.61 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.463 ' O ' ' CE3' ' A' ' 90' ' ' TRP . 0.0 OUTLIER -53.4 -49.35 67.45 Favored 'General case' 0 N--CA 1.448 -0.57 0 O-C-N 123.297 0.373 . . . . 0.0 110.395 -178.614 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.4 ' CE1' ' HB2' ' B' ' 25' ' ' LYS . 0.1 OUTLIER -153.92 94.28 1.74 Allowed 'General case' 0 C--O 1.241 0.655 0 CA-C-O 121.22 0.533 . . . . 0.0 110.82 171.577 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 5.8 mmtm -158.96 164.03 35.96 Favored 'General case' 0 C--N 1.308 -1.21 0 CA-C-N 114.232 -1.349 . . . . 0.0 108.192 172.528 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.533 ' HB2' ' CE2' ' B' ' 15' ' ' PHE . 47.2 tp -124.51 134.84 52.89 Favored 'General case' 0 C--N 1.298 -1.633 0 N-CA-C 107.747 -1.205 . . . . 0.0 107.747 170.307 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.531 ' H ' ' CD ' ' B' ' 22' ' ' GLU . 2.0 m -106.1 160.27 15.44 Favored 'General case' 0 C--N 1.305 -1.351 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 -177.263 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.557 ' NZ ' ' O ' ' B' ' 64' ' ' ASN . 3.0 mmmm -68.34 -6.83 26.41 Favored 'General case' 0 C--N 1.319 -0.728 0 C-N-CA 119.993 -0.683 . . . . 0.0 112.253 -173.872 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.445 ' HD2' ' HG2' ' B' ' 22' ' ' GLU . 0.8 OUTLIER -71.89 -56.86 4.94 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.106 -0.637 . . . . 0.0 110.576 176.848 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.534 ' O ' ' HB3' ' B' ' 36' ' ' LEU . 69.5 mm-40 -72.08 -42.24 66.42 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-O 120.905 0.384 . . . . 0.0 110.676 176.039 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.89 HD21 HD23 ' B' ' 77' ' ' LEU . 2.4 tm? -59.5 -46.76 87.89 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -171.125 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 32.8 mtmt -63.29 -43.94 96.44 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 119.063 -1.055 . . . . 0.0 109.596 -179.236 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.491 ' O ' ' HG2' ' B' ' 38' ' ' GLN . 92.2 mt-10 -73.59 -46.33 47.75 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.298 -0.864 . . . . 0.0 111.777 -178.493 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.695 HD22 ' CD2' ' B' ' 18' ' ' HIS . 0.1 OUTLIER -62.83 -42.94 99.94 Favored 'General case' 0 C--N 1.316 -0.863 0 O-C-N 122.239 -0.288 . . . . 0.0 111.761 178.895 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.742 HD23 HG12 ' B' ' 78' ' ' VAL . 2.6 tm? -60.97 -47.95 84.05 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.701 -177.33 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.491 ' HG2' ' O ' ' B' ' 35' ' ' GLU . 6.4 pt20 -64.41 -40.55 96.0 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 121.179 0.514 . . . . 0.0 109.938 176.769 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.424 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 29.5 m -63.43 -51.87 63.9 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.902 178.374 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -70.67 -40.65 72.86 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.162 0.431 . . . . 0.0 112.162 -177.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.642 HD22 HD21 ' B' ' 37' ' ' LEU . 11.0 mp -102.09 31.06 4.11 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.247 -176.54 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.405 ' O ' ' N ' ' B' ' 46' ' ' ASP . 68.0 m -53.36 -38.71 63.57 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 120.486 -0.486 . . . . 0.0 110.717 -178.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -63.36 -48.81 75.55 Favored Glycine 0 C--O 1.244 0.765 0 N-CA-C 110.518 -1.033 . . . . 0.0 110.518 176.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.562 ' CZ ' HG23 ' B' ' 82' ' ' THR . 10.8 m-85 -64.46 -44.37 91.3 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-O 121.089 0.471 . . . . 0.0 110.604 176.324 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.709 ' O ' HD12 ' B' ' 45' ' ' LEU . 1.9 tp -61.95 -45.16 94.87 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.966 177.25 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.466 ' OD1' ' NZ ' ' B' ' 49' ' ' LYS . 20.3 t70 -59.91 -44.85 94.04 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.58 -179.036 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 47' ' ' ALA . . . . . 0.971 ' HB3' ' SD ' ' B' ' 85' ' ' MET . . . -64.85 -24.2 67.47 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-O 121.134 0.492 . . . . 0.0 109.941 173.835 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.533 ' NE2' ' HB ' ' B' ' 51' ' ' VAL . 0.0 OUTLIER -95.07 10.91 33.99 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.679 -0.692 . . . . 0.0 112.783 -176.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.466 ' NZ ' ' OD1' ' B' ' 46' ' ' ASP . 56.7 mttp -58.96 -42.37 89.74 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 119.455 -0.898 . . . . 0.0 111.98 -179.196 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -116.16 35.3 4.57 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 113.183 0.808 . . . . 0.0 113.183 -174.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 51' ' ' VAL . . . . . 0.586 ' O ' HG12 ' B' ' 54' ' ' VAL . 2.1 t -123.82 122.03 63.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 172.689 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.543 ' OD2' ' NZ ' ' B' ' 56' ' ' LYS . 25.0 t70 -63.55 -8.94 10.93 Favored 'General case' 0 C--O 1.245 0.824 0 N-CA-C 112.742 0.645 . . . . 0.0 112.742 -174.617 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.97 -36.98 85.75 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.073 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.586 HG12 ' O ' ' B' ' 51' ' ' VAL . 11.0 p -59.14 -37.85 70.81 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.498 ' O ' ' N ' ' B' ' 59' ' ' LYS . 17.0 t70 -59.18 -41.69 89.07 Favored 'General case' 0 CA--C 1.505 -0.76 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.615 -179.1 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 56' ' ' LYS . . . . . 0.543 ' NZ ' ' OD2' ' B' ' 52' ' ' ASP . 23.1 mmtm -63.18 -44.43 95.44 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.354 -176.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.649 HG11 ' HG ' ' B' ' 81' ' ' LEU . 58.0 t -64.58 -44.57 96.79 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.07 0 CA-C-N 115.409 -0.814 . . . . 0.0 108.982 177.757 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 10.4 mmm -60.49 -41.96 95.32 Favored 'General case' 0 CA--C 1.506 -0.73 0 CA-C-N 115.361 -0.836 . . . . 0.0 108.811 176.803 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 59' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' B' ' 55' ' ' ASP . 0.0 OUTLIER -60.54 -45.19 94.76 Favored 'General case' 0 N--CA 1.437 -1.101 0 CA-C-N 114.717 -1.129 . . . . 0.0 109.634 -179.619 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -59.33 -47.14 86.53 Favored 'General case' 0 C--O 1.238 0.462 0 O-C-N 123.435 0.459 . . . . 0.0 110.377 178.204 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.778 ' HG ' HD13 ' B' ' 77' ' ' LEU . 2.4 mm? -63.62 -39.16 93.66 Favored 'General case' 0 C--N 1.318 -0.794 0 C-N-CA 120.609 -0.436 . . . . 0.0 110.263 175.131 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.443 ' OD2' ' NZ ' ' B' ' 59' ' ' LYS . 23.1 t70 -59.42 -42.64 92.31 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.933 0.397 . . . . 0.0 110.28 176.832 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 63' ' ' GLU . . . . . 0.429 ' HG3' ' O ' ' B' ' 59' ' ' LYS . 85.9 mt-10 -64.0 -37.13 86.28 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 176.162 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 64' ' ' ASN . . . . . 0.557 ' O ' ' NZ ' ' B' ' 30' ' ' LYS . 2.1 m-20 -82.76 36.84 0.5 Allowed 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.274 -0.876 . . . . 0.0 110.535 173.366 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.496 ' HA2' ' NZ ' ' B' ' 30' ' ' LYS . . . -102.81 17.86 51.63 Favored Glycine 0 C--N 1.32 -0.306 0 N-CA-C 109.644 -1.382 . . . . 0.0 109.644 178.136 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -59.45 -44.19 93.0 Favored 'General case' 0 CA--C 1.506 -0.735 0 CA-C-O 120.939 0.4 . . . . 0.0 110.141 -179.191 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -156.03 -88.35 0.07 OUTLIER Glycine 0 C--N 1.311 -0.826 0 N-CA-C 110.763 -0.935 . . . . 0.0 110.763 179.25 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -110.52 165.83 11.49 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.173 0.511 . . . . 0.0 112.008 -177.465 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.878 HG23 ' HB2' ' B' ' 73' ' ' GLU . 0.6 OUTLIER -121.79 125.54 73.44 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.096 0 N-CA-C 107.647 -1.242 . . . . 0.0 107.647 170.091 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.531 ' CG ' ' N ' ' B' ' 71' ' ' PHE . 0.7 OUTLIER -92.66 -179.95 5.32 Favored 'General case' 0 C--N 1.311 -1.066 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 -176.512 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.531 ' N ' ' CG ' ' B' ' 70' ' ' ASP . 56.2 t80 -57.79 -41.91 83.08 Favored 'General case' 0 C--N 1.307 -1.276 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 -178.568 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.652 ' HG3' HG11 ' A' ' 83' ' ' VAL . 44.9 mt-30 -58.2 -45.73 87.09 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.705 178.724 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.878 ' HB2' HG23 ' B' ' 69' ' ' VAL . 2.1 mp0 -67.57 -38.0 83.44 Favored 'General case' 0 C--O 1.239 0.513 0 C-N-CA 120.152 -0.619 . . . . 0.0 109.856 174.731 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 74' ' ' TYR . . . . . 0.456 ' OH ' HD21 ' A' ' 4' ' ' LEU . 39.6 t80 -60.94 -48.01 83.79 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.299 -179.297 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.886 HG21 ' CB ' ' A' ' 79' ' ' ALA . 26.9 m -63.93 -41.18 91.67 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 C-N-CA 119.841 -0.744 . . . . 0.0 112.067 -179.634 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.472 ' O ' ' N ' ' B' ' 80' ' ' ALA . 13.1 p -65.44 -37.93 81.24 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.452 0 C-N-CA 120.026 -0.67 . . . . 0.0 110.862 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.89 HD23 HD21 ' B' ' 33' ' ' LEU . 41.0 tp -60.67 -49.42 77.6 Favored 'General case' 0 CA--C 1.515 -0.376 0 C-N-CA 120.367 -0.533 . . . . 0.0 111.071 177.385 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.742 HG12 HD23 ' B' ' 37' ' ' LEU . 25.1 m -69.16 -43.26 81.71 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 C-N-CA 119.491 -0.884 . . . . 0.0 110.515 177.537 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.838 ' CB ' HG21 ' A' ' 75' ' ' VAL . . . -63.56 -42.21 98.37 Favored 'General case' 0 CA--C 1.51 -0.578 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.35 179.02 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 80' ' ' ALA . . . . . 0.472 ' N ' ' O ' ' B' ' 76' ' ' VAL . . . -61.36 -44.78 96.6 Favored 'General case' 0 N--CA 1.445 -0.716 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 -179.303 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.649 ' HG ' HG11 ' B' ' 57' ' ' VAL . 92.2 mt -63.21 -41.97 99.21 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 173.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.562 HG23 ' CZ ' ' B' ' 44' ' ' PHE . 14.7 m -61.78 -51.15 69.47 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.8 179.402 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.426 HG12 ' O ' ' B' ' 80' ' ' ALA . 0.7 OUTLIER -63.65 -42.88 97.58 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.422 178.741 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.76 -50.98 71.41 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.144 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 85' ' ' MET . . . . . 0.971 ' SD ' ' HB3' ' B' ' 47' ' ' ALA . 31.7 ttp -70.9 -42.34 70.09 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.291 -0.564 . . . . 0.0 110.463 178.019 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.5 ' HB2' ' O ' ' B' ' 82' ' ' THR . 3.3 t30 -61.83 -30.8 71.08 Favored 'General case' 0 CA--C 1.506 -0.719 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.035 -179.634 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 87' ' ' ASN . . . . . 0.644 ' HA ' ' HE1' ' B' ' 90' ' ' TRP . 40.6 t-20 -47.76 -43.21 27.14 Favored 'General case' 0 CA--C 1.511 -0.539 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 -179.021 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.405 ' CE2' HG11 ' B' ' 51' ' ' VAL . 86.8 m-85 -69.02 -38.5 79.24 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.239 178.425 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 5.6 m-30 -45.92 -76.61 0.02 OUTLIER 'General case' 0 CA--C 1.512 -0.508 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 -173.185 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 90' ' ' TRP . . . . . 0.644 ' HE1' ' HA ' ' B' ' 87' ' ' ASN . 0.0 OUTLIER -51.69 -32.93 31.87 Favored 'General case' 0 C--N 1.31 -1.126 0 C-N-CA 120.382 -0.527 . . . . 0.0 110.499 -173.54 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -69.97 -49.31 52.99 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.477 176.752 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 61.6 t-20 -92.87 98.85 11.64 Favored 'General case' 0 CA--C 1.506 -0.724 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 -179.322 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 14.2 t . . . . . 0 C--N 1.311 -1.097 0 CA-C-O 118.661 -0.685 . . . . 0.0 111.409 -171.365 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.446 0 N-CA-C 111.651 -0.579 . . . . 0.0 111.651 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.4 m -87.87 -172.86 4.03 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 110.154 -0.313 . . . . 0.0 110.154 179.193 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.51 ' CD ' ' H ' ' A' ' 3' ' ' GLU . 2.2 mp0 -46.56 -22.66 0.3 Allowed 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.93 0.395 . . . . 0.0 110.171 179.667 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.652 HD13 HD23 ' B' ' 11' ' ' LEU . 1.0 OUTLIER -60.89 -41.22 95.63 Favored 'General case' 0 CA--C 1.505 -0.779 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.802 -176.134 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -64.95 -42.54 94.54 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 119.037 -1.065 . . . . 0.0 110.095 178.336 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 17.1 m -62.23 -46.84 87.08 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 174.106 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.24 -42.59 95.6 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 177.466 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.517 ' SD ' ' OG1' ' B' ' 82' ' ' THR . 0.3 OUTLIER -63.69 -43.6 96.14 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 177.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 13' ' ' ASN . 96.7 mt-10 -65.19 -37.19 86.54 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.55 176.487 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 18.8 m -58.09 -45.25 87.49 Favored 'General case' 0 C--N 1.313 -1.005 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 178.061 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.765 HD23 HD22 ' B' ' 4' ' ' LEU . 82.8 mt -63.06 -41.04 99.37 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.019 172.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.48 ' O ' ' N ' ' A' ' 16' ' ' HIS . 21.5 mm -62.62 -44.27 99.25 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.54 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.213 178.724 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 9' ' ' GLU . 50.8 m-80 -60.5 -42.88 97.25 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 120.696 -0.401 . . . . 0.0 110.514 -174.18 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.828 HG21 HD11 ' B' ' 4' ' ' LEU . 71.1 t -62.09 -46.62 96.07 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 175.027 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.467 ' CE1' ' HB2' ' A' ' 28' ' ' LEU . 69.1 t80 -60.25 -45.18 94.15 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.542 176.121 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.536 ' CE1' ' CD2' ' B' ' 90' ' ' TRP . 0.2 OUTLIER -57.26 -49.89 74.62 Favored 'General case' 0 C--O 1.242 0.663 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.17 -179.359 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.83 -50.3 73.99 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.112 -179.04 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.413 ' HB3' ' CD1' ' A' ' 28' ' ' LEU . 92.6 m-70 -67.6 -36.57 81.1 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.435 -179.323 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.417 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 48.8 m -56.47 -41.42 76.53 Favored 'General case' 0 CA--C 1.514 -0.406 0 C-N-CA 120.299 -0.56 . . . . 0.0 110.266 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.13 -33.65 86.53 Favored Glycine 0 CA--C 1.522 0.505 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 179.645 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.4 mmtp -63.82 -76.04 0.07 Allowed 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 -175.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -124.05 -5.31 7.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.958 -0.564 . . . . 0.0 112.321 -171.738 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.507 ' HA3' ' O ' ' A' ' 27' ' ' LYS . . . -75.04 -111.02 0.09 OUTLIER Glycine 0 CA--C 1.529 0.907 0 N-CA-C 111.771 -0.532 . . . . 0.0 111.771 -176.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -151.1 -151.26 0.38 Allowed 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 178.323 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.405 ' HE3' ' CZ ' ' A' ' 26' ' ' TYR . 46.6 mtmt -61.84 -45.43 93.83 Favored 'General case' 0 CA--C 1.475 -1.925 0 N-CA-C 106.569 -1.641 . . . . 0.0 106.569 173.049 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.488 ' HB3' ' CE3' ' B' ' 90' ' ' TRP . 0.1 OUTLIER -146.46 93.31 2.28 Favored 'General case' 0 N--CA 1.428 -1.535 0 CA-C-N 113.762 -1.563 . . . . 0.0 109.672 170.838 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.507 ' O ' ' HA3' ' A' ' 23' ' ' GLY . 7.9 mmtm -163.85 159.05 20.66 Favored 'General case' 0 C--N 1.303 -1.447 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 174.356 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.467 ' HB2' ' CE1' ' A' ' 15' ' ' PHE . 45.6 tp -123.42 131.11 53.55 Favored 'General case' 0 C--N 1.307 -1.269 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 176.532 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.8 p -76.5 157.23 32.32 Favored 'General case' 0 C--O 1.243 0.755 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 178.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.487 ' NZ ' ' O ' ' A' ' 64' ' ' ASN . 8.3 mmmm -77.91 -7.89 57.36 Favored 'General case' 0 C--N 1.318 -0.799 0 C-N-CA 118.805 -1.158 . . . . 0.0 109.005 176.426 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 53.2 mttm -66.35 -50.17 64.45 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 176.648 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -75.56 -39.38 58.25 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 113.538 -1.664 . . . . 0.0 111.047 178.6 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.803 HD11 ' CD2' ' A' ' 77' ' ' LEU . 3.2 tm? -59.41 -44.79 92.77 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.083 -173.855 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.471 ' HB3' ' NZ ' ' A' ' 34' ' ' LYS . 7.1 mtpm? -62.61 -43.44 98.79 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 120.425 -0.51 . . . . 0.0 110.923 179.419 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.427 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 75.1 mm-40 -73.4 -52.25 14.45 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.233 0.539 . . . . 0.0 110.148 -177.735 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.532 ' HG ' ' N ' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -63.35 -43.86 96.49 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 115.906 -0.588 . . . . 0.0 112.456 -176.918 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.672 HD13 ' C ' ' A' ' 37' ' ' LEU . 2.9 tm? -61.59 -47.28 86.21 Favored 'General case' 0 CA--C 1.511 -0.556 0 C-N-CA 120.032 -0.667 . . . . 0.0 110.506 -177.419 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.587 ' HA ' HD22 ' A' ' 45' ' ' LEU . 18.0 pt20 -66.35 -41.07 90.06 Favored 'General case' 0 C--N 1.317 -0.834 0 C-N-CA 119.763 -0.775 . . . . 0.0 110.258 178.096 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 98.6 m -63.84 -52.36 60.46 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.67 -179.04 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.924 ' HB3' HD12 ' B' ' 4' ' ' LEU . 70.9 mm-40 -72.64 -43.01 63.79 Favored 'General case' 0 C--O 1.239 0.504 0 N-CA-C 112.587 0.588 . . . . 0.0 112.587 -173.418 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.9 mp -96.85 35.37 1.55 Allowed 'General case' 0 CA--C 1.505 -0.766 0 CA-C-O 121.206 0.527 . . . . 0.0 110.567 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.76 -33.99 69.09 Favored 'General case' 0 C--N 1.307 -1.242 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.355 -178.354 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.03 -50.81 43.7 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.565 -0.614 . . . . 0.0 111.565 177.423 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.539 ' HD1' ' SD ' ' A' ' 85' ' ' MET . 21.3 m-85 -70.47 -39.33 74.32 Favored 'General case' 0 CA--C 1.494 -1.193 0 CA-C-O 121.309 0.576 . . . . 0.0 110.163 176.859 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.587 HD22 ' HA ' ' A' ' 38' ' ' GLN . 44.5 tp -61.02 -44.83 96.83 Favored 'General case' 0 N--CA 1.427 -1.625 0 CA-C-N 115.23 -0.895 . . . . 0.0 111.463 -178.7 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -55.42 -46.18 76.68 Favored 'General case' 0 CA--C 1.511 -0.52 0 C-N-CA 119.91 -0.716 . . . . 0.0 110.534 -175.678 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.487 ' HB3' ' SD ' ' A' ' 85' ' ' MET . . . -66.68 -39.46 88.13 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.369 177.725 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.424 ' HG2' ' O ' ' A' ' 44' ' ' PHE . 85.8 mm-40 -76.45 -8.48 57.24 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.658 -0.701 . . . . 0.0 112.336 -177.737 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.507 ' HG3' ' O ' ' A' ' 45' ' ' LEU . 12.9 mtpt -56.99 -38.78 73.52 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 177.25 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -98.03 19.15 14.48 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.043 -176.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.492 HG12 ' H ' ' A' ' 53' ' ' ALA . 69.9 t -118.91 133.16 66.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 -178.139 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -57.54 -34.12 68.82 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.809 -176.627 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.492 ' H ' HG12 ' A' ' 51' ' ' VAL . . . -56.45 -30.47 62.9 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.225 -177.875 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 1.2 p -58.79 -43.53 88.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 C-N-CA 120.196 -0.602 . . . . 0.0 110.493 -178.545 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.511 ' OD1' ' NZ ' ' A' ' 59' ' ' LYS . 1.8 t70 -60.14 -55.57 32.18 Favored 'General case' 0 CA--C 1.504 -0.796 0 CA-C-O 121.559 0.695 . . . . 0.0 110.452 175.157 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 46.3 mttp -67.49 -39.93 85.21 Favored 'General case' 0 C--N 1.295 -1.778 0 CA-C-N 114.544 -1.207 . . . . 0.0 113.088 -173.474 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.552 HG12 HD12 ' A' ' 77' ' ' LEU . 52.8 t -63.67 -45.78 96.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 174.809 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.489 ' O ' ' N ' ' A' ' 62' ' ' ASP . 65.1 ttp -62.29 -38.43 89.35 Favored 'General case' 0 N--CA 1.434 -1.261 0 CA-C-N 114.504 -1.225 . . . . 0.0 109.817 174.75 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.511 ' NZ ' ' OD1' ' A' ' 55' ' ' ASP . 0.4 OUTLIER -60.83 -42.04 96.96 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.672 -174.853 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -58.15 -45.67 87.02 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 178.018 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.734 ' HG ' HD22 ' A' ' 77' ' ' LEU . 2.6 mm? -64.36 -40.6 96.17 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.273 173.612 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.489 ' N ' ' O ' ' A' ' 58' ' ' MET . 18.3 t0 -60.99 -38.85 87.47 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 -178.12 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.496 ' C ' ' H ' ' A' ' 65' ' ' GLY . 97.2 mt-10 -63.82 -43.17 97.03 Favored 'General case' 0 CA--C 1.502 -0.874 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 173.432 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.487 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . 8.6 t-20 -74.41 36.61 0.1 Allowed 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.28 178.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.496 ' H ' ' C ' ' A' ' 63' ' ' GLU . . . -100.74 -3.7 54.91 Favored Glycine 0 CA--C 1.508 -0.359 0 N-CA-C 109.662 -1.375 . . . . 0.0 109.662 179.633 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -61.54 -40.35 94.37 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.086 -0.557 . . . . 0.0 110.403 -177.428 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -128.66 -140.9 5.06 Favored Glycine 0 C--N 1.311 -0.849 0 N-CA-C 109.229 -1.548 . . . . 0.0 109.229 176.362 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.432 ' N ' ' CD ' ' A' ' 68' ' ' GLU . 19.4 mp0 -90.64 175.62 6.97 Favored 'General case' 0 C--N 1.309 -1.154 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 176.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.637 HG23 ' CB ' ' A' ' 73' ' ' GLU . 1.9 p -117.94 131.24 71.25 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 174.79 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -94.15 -176.56 4.02 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.168 0.509 . . . . 0.0 110.643 -176.08 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.482 ' O ' HG22 ' A' ' 75' ' ' VAL . 48.6 t80 -61.06 -44.62 97.1 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.256 178.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -61.29 -42.25 98.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.59 -179.203 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.637 ' CB ' HG23 ' A' ' 69' ' ' VAL . 70.0 mm-40 -70.2 -38.14 75.25 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 121.605 0.717 . . . . 0.0 110.09 174.447 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -61.67 -48.58 80.19 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.873 179.505 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.897 HG21 ' CB ' ' B' ' 79' ' ' ALA . 19.0 m -63.22 -40.7 90.04 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -177.086 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.412 HG12 ' O ' ' A' ' 73' ' ' GLU . 9.2 p -63.96 -38.75 83.22 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.713 0 C-N-CA 120.364 -0.534 . . . . 0.0 110.574 -179.384 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.803 ' CD2' HD11 ' A' ' 33' ' ' LEU . 59.3 tp -61.32 -47.81 84.23 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.296 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.544 HG12 HD23 ' A' ' 37' ' ' LEU . 28.2 m -69.66 -42.53 80.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 C-N-CA 120.21 -0.596 . . . . 0.0 111.07 176.847 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.974 ' CB ' HG21 ' B' ' 75' ' ' VAL . . . -63.41 -41.48 98.73 Favored 'General case' 0 CA--C 1.508 -0.641 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.6 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.12 -48.44 80.2 Favored 'General case' 0 N--CA 1.44 -0.937 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.991 -179.164 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.497 ' CD1' HD11 ' A' ' 37' ' ' LEU . 87.5 mt -63.19 -42.0 99.27 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.826 175.51 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.62 HG21 ' HB3' ' B' ' 8' ' ' MET . 21.0 m -61.98 -51.43 68.1 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.344 -179.591 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.418 ' HB ' ' HB3' ' B' ' 71' ' ' PHE . 10.0 p -63.3 -43.38 98.62 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.579 0 C-N-CA 120.093 -0.643 . . . . 0.0 110.539 -179.493 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -53.89 -52.66 59.79 Favored 'General case' 0 N--CA 1.44 -0.927 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.488 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.539 ' SD ' ' HD1' ' A' ' 44' ' ' PHE . 27.3 ttt -77.03 -44.05 32.28 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 119.638 -0.825 . . . . 0.0 111.921 178.272 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.663 ' OD1' HG21 ' B' ' 12' ' ' ILE . 8.3 t-20 -62.47 -40.07 95.45 Favored 'General case' 0 CA--C 1.513 -0.479 0 C-N-CA 120.58 -0.448 . . . . 0.0 111.666 -174.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 58.2 t-20 -47.39 -32.55 5.03 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.194 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.475 ' O ' ' N ' ' A' ' 92' ' ' ASN . 71.0 m-85 -63.59 -34.78 78.58 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.871 178.776 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.431 ' N ' ' O ' ' A' ' 86' ' ' ASN . 55.3 m-85 -61.05 -37.98 84.54 Favored 'General case' 0 CA--C 1.514 -0.426 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 175.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.656 ' CD1' ' N ' ' A' ' 90' ' ' TRP . 2.4 m0 -64.13 -41.75 97.09 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 179.164 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 63.9 mt-10 -71.0 -43.43 67.98 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 114.875 -1.057 . . . . 0.0 111.192 176.605 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.475 ' N ' ' O ' ' A' ' 88' ' ' PHE . 35.6 t30 -94.89 99.7 11.7 Favored 'General case' 0 CA--C 1.5 -0.945 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 179.039 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.9 m . . . . . 0 C--O 1.203 -1.379 0 CA-C-O 118.771 -0.633 . . . . 0.0 109.9 -174.53 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.295 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 2' ' ' SER . . . . . 0.425 ' C ' ' N ' ' B' ' 4' ' ' LEU . 19.0 m -73.22 158.57 34.95 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.746 0.308 . . . . 0.0 110.813 179.51 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.619 ' H ' ' CD ' ' B' ' 3' ' ' GLU . 2.7 mp0 -49.62 -18.57 0.46 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.828 177.492 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.924 HD12 ' HB3' ' A' ' 40' ' ' GLU . 89.7 mt -61.08 -41.11 96.02 Favored 'General case' 0 N--CA 1.436 -1.135 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 178.054 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -62.77 -43.05 99.81 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 178.116 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.407 ' O ' ' N ' ' B' ' 10' ' ' THR . 9.8 m -61.19 -45.72 93.43 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.325 174.756 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.49 -47.19 84.91 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.441 176.568 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 8' ' ' MET . . . . . 0.62 ' HB3' HG21 ' A' ' 82' ' ' THR . 1.8 mtp -63.35 -42.96 98.94 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.148 178.219 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -64.83 -35.82 82.35 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.644 176.788 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.407 ' N ' ' O ' ' B' ' 6' ' ' THR . 12.3 m -58.85 -44.34 90.96 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 174.47 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.652 HD23 HD13 ' A' ' 4' ' ' LEU . 93.6 mt -63.07 -39.26 94.19 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.157 175.126 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.663 HG21 ' OD1' ' A' ' 86' ' ' ASN . 17.8 mm -61.73 -43.28 96.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.977 -179.092 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -57.7 -44.07 85.61 Favored 'General case' 0 C--N 1.318 -0.791 0 C-N-CA 120.941 -0.304 . . . . 0.0 110.481 -174.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 96.2 t -63.43 -48.68 86.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.386 0.612 . . . . 0.0 109.647 177.472 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.498 ' CE2' ' HB2' ' B' ' 28' ' ' LEU . 48.1 t80 -61.17 -48.02 83.48 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.671 0.748 . . . . 0.0 110.151 178.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -62.21 -47.34 84.89 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 114.862 -1.063 . . . . 0.0 110.977 -176.314 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.84 -46.19 90.05 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 120.831 0.348 . . . . 0.0 110.642 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 86.5 m-70 -71.24 -26.92 63.12 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.168 -0.469 . . . . 0.0 112.233 -179.434 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 38.6 m -53.56 -42.61 67.71 Favored 'General case' 0 CA--C 1.52 -0.192 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 177.704 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.48 -41.97 99.74 Favored Glycine 0 CA--C 1.522 0.503 0 CA-C-N 115.928 -0.578 . . . . 0.0 112.077 179.467 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -65.94 -46.24 78.9 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 -172.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -142.46 -4.9 0.97 Allowed 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -176.349 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 23' ' ' GLY . . . . . 0.443 ' HA3' ' O ' ' B' ' 27' ' ' LYS . . . -89.35 176.07 43.15 Favored Glycine 0 C--N 1.308 -1.002 0 N-CA-C 110.491 -1.044 . . . . 0.0 110.491 -175.628 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.486 ' CG ' ' H ' ' B' ' 25' ' ' LYS . 10.5 t70 -75.88 -157.87 0.08 Allowed 'General case' 0 CA--C 1.512 -0.498 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 176.5 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.486 ' H ' ' CG ' ' B' ' 24' ' ' ASP . 0.2 OUTLIER -62.03 -45.63 92.75 Favored 'General case' 0 CA--C 1.488 -1.429 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 177.653 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.547 ' HB3' ' CE3' ' A' ' 90' ' ' TRP . 0.1 OUTLIER -137.79 89.79 2.44 Favored 'General case' 0 N--CA 1.426 -1.655 0 CA-C-N 114.934 -1.03 . . . . 0.0 108.918 170.169 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.485 ' NZ ' ' HB3' ' B' ' 70' ' ' ASP . 0.0 OUTLIER -167.27 164.87 15.43 Favored 'General case' 0 C--N 1.311 -1.085 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 172.722 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.603 HD21 HD21 ' B' ' 36' ' ' LEU . 53.0 tp -123.51 132.62 53.97 Favored 'General case' 0 C--N 1.304 -1.374 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 174.688 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.97 166.57 15.81 Favored 'General case' 0 C--N 1.308 -1.212 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.849 -177.807 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.453 ' NZ ' ' O ' ' B' ' 65' ' ' GLY . 7.4 mmmm -76.78 -3.11 36.57 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.719 -176.22 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.416 ' H ' ' HG3' ' B' ' 31' ' ' LYS . 32.4 mttt -80.94 -60.05 2.44 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 121.914 0.864 . . . . 0.0 108.873 -179.254 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -64.79 -35.93 82.68 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.063 -1.426 . . . . 0.0 109.581 -178.743 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.663 HD13 ' C ' ' B' ' 33' ' ' LEU . 2.9 tm? -59.27 -43.45 92.48 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.973 -1.012 . . . . 0.0 110.857 -174.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 50.2 mttp -61.22 -42.53 98.75 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -70.95 -50.44 34.55 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.685 -0.689 . . . . 0.0 112.313 -177.157 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.603 HD21 HD21 ' B' ' 28' ' ' LEU . 1.1 pp -68.23 -40.82 81.91 Favored 'General case' 0 CA--C 1.509 -0.617 0 C-N-CA 119.758 -0.777 . . . . 0.0 111.676 -178.494 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.621 HD23 HG12 ' B' ' 78' ' ' VAL . 2.8 tm? -61.32 -47.07 87.62 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.289 -0.564 . . . . 0.0 110.842 -176.714 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.462 ' HB2' ' CD2' ' B' ' 45' ' ' LEU . 14.5 pt20 -65.42 -42.05 92.91 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 119.826 -0.75 . . . . 0.0 109.977 176.601 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 94.4 m -65.01 -52.67 54.78 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.38 -177.748 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.479 ' HB3' ' HG ' ' A' ' 4' ' ' LEU . 46.3 mm-40 -69.92 -39.77 75.97 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.816 0.672 . . . . 0.0 112.816 -176.837 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 10.4 mp -107.68 37.13 2.51 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 121.087 0.47 . . . . 0.0 110.407 179.254 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.29 -36.5 73.4 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.371 -176.138 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.52 -51.25 49.76 Favored Glycine 0 C--O 1.246 0.859 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 177.648 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.492 ' O ' ' N ' ' B' ' 48' ' ' GLN . 19.5 m-85 -66.1 -41.11 91.08 Favored 'General case' 0 CA--C 1.502 -0.886 0 CA-C-O 120.855 0.36 . . . . 0.0 110.087 176.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.507 ' O ' HD12 ' B' ' 45' ' ' LEU . 3.0 tp -58.91 -48.11 82.63 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.89 179.536 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -61.6 -42.14 98.44 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.602 179.719 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.9 -35.25 80.54 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.881 173.744 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.508 ' NE2' ' HB ' ' B' ' 51' ' ' VAL . 3.2 mm100 -78.5 -11.92 59.98 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.735 -0.666 . . . . 0.0 112.73 -177.198 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.486 ' HG3' ' O ' ' B' ' 45' ' ' LEU . 67.8 mttm -59.33 -39.69 83.94 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 120.798 -0.361 . . . . 0.0 111.876 -175.482 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -89.5 14.12 12.2 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.388 -0.525 . . . . 0.0 111.586 -179.416 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 51' ' ' VAL . . . . . 0.646 ' O ' HG12 ' B' ' 54' ' ' VAL . 2.7 t -117.08 126.66 74.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 176.128 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.405 ' OD2' ' NZ ' ' B' ' 56' ' ' LYS . 33.8 t70 -60.61 -35.44 76.15 Favored 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 120.935 -0.306 . . . . 0.0 111.376 -177.792 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.408 ' O ' HG23 ' B' ' 57' ' ' VAL . . . -45.19 -29.72 1.01 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.416 -177.709 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.646 HG12 ' O ' ' B' ' 51' ' ' VAL . 9.9 p -60.21 -42.55 90.72 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 C-N-CA 120.34 -0.544 . . . . 0.0 109.914 179.55 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.457 ' OD1' ' NZ ' ' B' ' 59' ' ' LYS . 18.8 t70 -60.92 -52.44 65.03 Favored 'General case' 0 CA--C 1.497 -1.085 0 CA-C-O 121.44 0.638 . . . . 0.0 110.315 176.308 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 56' ' ' LYS . . . . . 0.405 ' NZ ' ' OD2' ' B' ' 52' ' ' ASP . 49.6 mttp -63.72 -42.33 97.93 Favored 'General case' 0 C--N 1.304 -1.396 0 CA-C-N 114.962 -1.017 . . . . 0.0 112.152 -175.646 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.625 HG12 HD12 ' B' ' 77' ' ' LEU . 78.1 t -63.48 -47.25 92.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 178.005 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 65.8 ttp -62.84 -42.49 99.76 Favored 'General case' 0 N--CA 1.432 -1.344 0 CA-C-N 114.845 -1.071 . . . . 0.0 110.623 176.633 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 59' ' ' LYS . . . . . 0.613 ' HB2' ' HZ2' ' B' ' 59' ' ' LYS . 0.4 OUTLIER -64.05 -41.85 97.25 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.697 -179.152 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 -61.17 -40.8 95.25 Favored 'General case' 0 C--N 1.319 -0.746 0 C-N-CA 119.562 -0.855 . . . . 0.0 109.027 177.253 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.643 ' HG ' HD13 ' B' ' 77' ' ' LEU . 2.6 mm? -63.37 -38.66 92.02 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 171.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.439 ' HA ' ' HZ3' ' B' ' 30' ' ' LYS . 25.4 t70 -60.81 -45.39 94.64 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 177.738 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -68.34 -51.81 40.32 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.898 178.52 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 64' ' ' ASN . . . . . 0.439 ' C ' ' H ' ' B' ' 66' ' ' ASP . 9.9 t-20 -69.29 -48.45 61.6 Favored 'General case' 0 CA--C 1.503 -0.833 0 CA-C-O 121.476 0.655 . . . . 0.0 110.348 -177.126 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' B' ' 61' ' ' LEU . . . -77.39 45.98 2.44 Favored Glycine 0 CA--C 1.493 -1.321 0 N-CA-C 108.796 -1.721 . . . . 0.0 108.796 176.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.439 ' H ' ' C ' ' B' ' 64' ' ' ASN . 29.6 t70 -60.99 -33.96 74.05 Favored 'General case' 0 CA--C 1.497 -1.083 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 -178.42 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -108.8 -62.39 0.54 Allowed Glycine 0 C--N 1.312 -0.789 0 N-CA-C 110.058 -1.217 . . . . 0.0 110.058 177.177 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.4 ' O ' ' HA2' ' B' ' 65' ' ' GLY . 97.5 mt-10 -139.82 169.34 17.89 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 -178.203 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.664 HG23 ' CB ' ' B' ' 73' ' ' GLU . 1.5 p -122.09 128.08 75.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 174.334 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.485 ' HB3' ' NZ ' ' B' ' 27' ' ' LYS . 0.0 OUTLIER -93.7 -179.94 5.17 Favored 'General case' 0 CA--C 1.515 -0.368 0 C-N-CA 120.708 -0.397 . . . . 0.0 111.06 -179.1 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.71 ' O ' HG22 ' B' ' 75' ' ' VAL . 58.0 t80 -61.18 -44.62 97.0 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 179.278 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -59.67 -41.09 89.88 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.864 175.428 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.664 ' CB ' HG23 ' B' ' 69' ' ' VAL . 44.4 mt-10 -66.92 -43.52 83.07 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 174.386 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -63.14 -48.85 76.7 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.344 -0.844 . . . . 0.0 112.139 -176.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.974 HG21 ' CB ' ' A' ' 79' ' ' ALA . 12.9 m -62.38 -41.0 90.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 C-N-CA 120.386 -0.525 . . . . 0.0 111.95 -177.197 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.495 HG12 ' O ' ' B' ' 73' ' ' GLU . 14.7 p -64.39 -37.53 80.22 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.788 0 C-N-CA 120.374 -0.53 . . . . 0.0 109.918 178.298 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.643 HD13 ' HG ' ' B' ' 61' ' ' LEU . 54.5 tp -61.54 -49.0 78.46 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.602 179.039 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.621 HG12 HD23 ' B' ' 37' ' ' LEU . 27.1 m -67.95 -43.15 85.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 C-N-CA 119.947 -0.701 . . . . 0.0 110.605 176.87 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.897 ' CB ' HG21 ' A' ' 75' ' ' VAL . . . -63.28 -42.81 99.13 Favored 'General case' 0 CA--C 1.509 -0.608 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.801 179.356 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 80' ' ' ALA . . . . . 0.412 ' O ' HG12 ' B' ' 83' ' ' VAL . . . -59.83 -46.26 89.8 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-O 121.248 0.547 . . . . 0.0 110.011 -178.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.452 ' CD1' HD11 ' B' ' 37' ' ' LEU . 93.1 mt -63.64 -42.56 98.11 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.569 174.859 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.517 ' OG1' ' SD ' ' A' ' 8' ' ' MET . 20.5 m -63.23 -49.28 74.78 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.657 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.424 HG13 ' N ' ' B' ' 84' ' ' ALA . 11.4 p -61.16 -46.27 96.96 Favored 'Isoleucine or valine' 0 C--O 1.24 0.578 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.732 -177.03 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 0.424 ' N ' HG13 ' B' ' 83' ' ' VAL . . . -59.74 -50.29 74.4 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.335 179.003 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.5 -44.87 77.44 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.468 0.651 . . . . 0.0 110.526 179.098 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.505 ' OD1' ' NE1' ' B' ' 90' ' ' TRP . 12.5 t-20 -63.36 -39.91 95.83 Favored 'General case' 0 CA--C 1.505 -0.762 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.409 -176.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -45.14 -33.07 2.06 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.087 -176.765 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -61.97 -37.1 83.49 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.467 176.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 89' ' ' PHE . . . . . 0.44 ' N ' ' O ' ' B' ' 86' ' ' ASN . 40.4 m-85 -60.86 -41.19 95.42 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.964 0.411 . . . . 0.0 110.383 177.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 90' ' ' TRP . . . . . 0.536 ' CD2' ' CE1' ' A' ' 16' ' ' HIS . 33.0 m95 -60.06 -47.19 86.89 Favored 'General case' 0 CA--C 1.493 -1.225 0 CA-C-O 121.623 0.725 . . . . 0.0 109.301 -177.865 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -83.87 -48.43 10.04 Favored 'General case' 0 C--N 1.301 -1.524 0 CA-C-N 114.196 -1.366 . . . . 0.0 110.934 -175.338 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -89.67 100.92 13.63 Favored 'General case' 0 CA--C 1.507 -0.678 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 176.284 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 93' ' ' SER . . . . . 0.418 ' OG ' ' O ' ' B' ' 89' ' ' PHE . 0.8 OUTLIER . . . . . 0 C--O 1.204 -1.313 0 CA-C-O 118.497 -0.763 . . . . 0.0 109.634 -175.519 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.748 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m -74.05 169.15 18.09 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.24 -45.94 86.86 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.573 179.165 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.514 ' H ' HD22 ' A' ' 4' ' ' LEU . 1.6 mm? -61.85 -42.91 99.62 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 178.742 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -65.37 -47.33 76.78 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.078 178.412 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 10' ' ' THR . 10.5 m -63.02 -43.49 98.59 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.441 -0.8 . . . . 0.0 111.208 177.488 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.758 ' HB1' ' HB1' ' B' ' 7' ' ' ALA . . . -53.56 -45.11 69.78 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.615 ' SD ' HD11 ' B' ' 11' ' ' LEU . 95.7 mmm -65.16 -40.06 93.81 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.124 176.722 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -62.9 -37.39 86.77 Favored 'General case' 0 CA--C 1.518 -0.258 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 176.251 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.693 HG22 ' CD1' ' B' ' 4' ' ' LEU . 7.8 m -59.45 -44.76 92.89 Favored 'General case' 0 C--N 1.313 -1.021 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 -178.883 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.597 HD11 ' SD ' ' B' ' 8' ' ' MET . 98.4 mt -62.22 -40.39 95.94 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.404 174.545 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.527 HD13 ' CE1' ' A' ' 71' ' ' PHE . 24.2 mm -62.36 -43.48 98.18 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 179.258 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -60.74 -42.85 98.17 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.433 HG21 HD21 ' B' ' 4' ' ' LEU . 75.8 t -64.25 -46.32 93.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.72 175.053 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -58.69 -47.97 82.7 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.636 -179.499 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.513 ' CD2' HD21 ' B' ' 86' ' ' ASN . 3.0 m-70 -65.24 -38.71 91.2 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.732 176.657 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.26 -47.6 78.21 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 177.35 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.615 ' CE1' ' HB2' ' A' ' 36' ' ' LEU . 91.4 m-70 -69.93 -38.13 76.1 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.748 -0.66 . . . . 0.0 112.371 177.174 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.4 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 68.3 m -53.6 -40.82 66.03 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-O 121.508 0.67 . . . . 0.0 109.954 -179.632 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.41 -26.71 69.81 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.632 -0.987 . . . . 0.0 110.632 176.327 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.462 ' HB3' ' O ' ' A' ' 18' ' ' HIS . 0.1 OUTLIER -62.16 -45.28 94.12 Favored 'General case' 0 CA--C 1.515 -0.384 0 N-CA-C 110.735 -0.098 . . . . 0.0 110.735 -177.695 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.448 ' OE1' ' N ' ' A' ' 29' ' ' SER . 3.7 pt-20 -91.32 -11.91 36.58 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-O 120.982 0.42 . . . . 0.0 110.609 178.689 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.25 19.29 53.34 Favored Glycine 0 CA--C 1.527 0.811 0 CA-C-N 115.707 -0.679 . . . . 0.0 112.877 175.26 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -78.22 156.18 29.92 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 117.31 0.555 . . . . 0.0 109.825 176.348 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.458 ' HE2' ' CZ ' ' A' ' 26' ' ' TYR . 23.5 pttm -60.05 -42.71 95.05 Favored 'General case' 0 CA--C 1.512 -0.484 0 C-N-CA 119.947 -0.701 . . . . 0.0 109.373 173.744 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.458 ' CZ ' ' HE2' ' A' ' 25' ' ' LYS . 11.2 p90 -172.66 93.83 0.12 Allowed 'General case' 0 N--CA 1.446 -0.659 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.577 171.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.497 ' NZ ' ' OE1' ' A' ' 68' ' ' GLU . 9.0 mmmm -156.35 168.43 27.37 Favored 'General case' 0 C--N 1.311 -1.108 0 N-CA-C 107.145 -1.428 . . . . 0.0 107.145 174.861 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.539 ' HB3' HG13 ' A' ' 69' ' ' VAL . 44.0 tp -124.44 129.6 50.95 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 174.625 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.448 ' N ' ' OE1' ' A' ' 22' ' ' GLU . 8.9 p -79.28 156.71 27.95 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.571 ' NZ ' ' O ' ' A' ' 68' ' ' GLU . 5.7 mmtm -75.56 -6.64 51.29 Favored 'General case' 0 CA--C 1.514 -0.41 0 C-N-CA 118.485 -1.286 . . . . 0.0 108.82 176.388 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . 0.252 59.6 mttm -62.49 -46.02 90.36 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 106.958 -1.497 . . . . 0.0 106.958 176.563 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.488 ' O ' ' HB3' ' A' ' 36' ' ' LEU . 33.5 mm-40 -88.61 -28.76 20.46 Favored 'General case' 0 N--CA 1.435 -1.214 0 CA-C-N 113.385 -1.734 . . . . 0.0 110.472 -177.407 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.807 HD11 HD22 ' A' ' 77' ' ' LEU . 3.3 tm? -57.27 -49.17 76.91 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.543 -0.463 . . . . 0.0 110.456 -173.345 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -66.36 -45.17 81.03 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 120.28 -0.568 . . . . 0.0 111.822 178.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.428 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 62.6 mt-10 -73.47 -45.37 54.55 Favored 'General case' 0 C--O 1.239 0.525 0 N-CA-C 113.183 0.809 . . . . 0.0 113.183 -178.732 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.615 ' HB2' ' CE1' ' A' ' 18' ' ' HIS . 0.1 OUTLIER -64.9 -43.71 91.95 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 120.996 0.426 . . . . 0.0 111.733 179.716 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.69 HD13 ' C ' ' A' ' 37' ' ' LEU . 2.8 tm? -60.97 -46.35 91.07 Favored 'General case' 0 C--N 1.316 -0.848 0 C-N-CA 120.15 -0.62 . . . . 0.0 110.208 -175.828 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.428 ' HG2' ' O ' ' A' ' 35' ' ' GLU . 15.0 pt20 -65.33 -42.29 93.09 Favored 'General case' 0 C--N 1.318 -0.789 0 C-N-CA 120.118 -0.633 . . . . 0.0 110.132 176.158 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.401 ' N ' ' HG3' ' A' ' 38' ' ' GLN . 79.3 m -64.53 -53.37 49.07 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.39 -179.355 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -69.58 -39.36 77.36 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -177.412 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.672 HD22 HD21 ' A' ' 37' ' ' LEU . 11.1 mp -102.38 36.74 2.06 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-O 120.983 0.421 . . . . 0.0 110.655 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.0 -36.35 72.54 Favored 'General case' 0 C--N 1.306 -1.306 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.761 -176.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -66.36 -48.16 65.7 Favored Glycine 0 CA--C 1.528 0.887 0 N-CA-C 111.465 -0.654 . . . . 0.0 111.465 177.05 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.469 ' HD1' ' SD ' ' A' ' 85' ' ' MET . 20.9 m-85 -66.17 -41.19 90.68 Favored 'General case' 0 CA--C 1.498 -1.047 0 CA-C-O 121.513 0.673 . . . . 0.0 109.46 176.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.41 HD22 ' HA ' ' A' ' 38' ' ' GLN . 42.7 tp -61.16 -44.83 96.7 Favored 'General case' 0 C--N 1.303 -1.421 0 CA-C-N 114.692 -1.14 . . . . 0.0 111.111 177.707 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -54.55 -43.34 71.9 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.059 0.457 . . . . 0.0 110.26 -178.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.14 -24.22 67.61 Favored 'General case' 0 C--O 1.242 0.684 0 CA-C-N 115.353 -0.84 . . . . 0.0 112.245 -178.178 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.22 44.67 1.66 Allowed 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -175.608 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.407 ' HG3' ' O ' ' A' ' 45' ' ' LEU . 35.0 mtpt -63.68 -39.25 93.86 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.84 0.352 . . . . 0.0 110.408 178.549 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -109.43 36.07 3.08 Favored 'General case' 0 C--O 1.24 0.582 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.182 -177.013 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.918 ' O ' HG12 ' A' ' 54' ' ' VAL . 54.1 t -112.08 133.78 56.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.484 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 32.4 t70 -56.31 -35.67 67.81 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.895 -173.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.417 ' H ' HG12 ' A' ' 51' ' ' VAL . . . -51.22 -41.27 60.17 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.614 -177.583 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.918 HG12 ' O ' ' A' ' 51' ' ' VAL . 13.1 p -63.15 -40.68 89.96 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 C-N-CA 120.005 -0.678 . . . . 0.0 110.651 178.738 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.576 ' HA ' ' SD ' ' A' ' 58' ' ' MET . 31.8 t70 -62.49 -43.67 98.25 Favored 'General case' 0 CA--C 1.494 -1.204 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 175.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.484 ' NZ ' ' OD2' ' A' ' 52' ' ' ASP . 36.7 mmtm -69.07 -47.89 64.11 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.172 -176.681 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.622 HG12 HD12 ' A' ' 77' ' ' LEU . 76.8 t -64.3 -47.27 90.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.043 0.449 . . . . 0.0 110.798 -179.744 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.576 ' SD ' ' HA ' ' A' ' 55' ' ' ASP . 7.2 ptm -61.6 -28.65 69.51 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.091 0.472 . . . . 0.0 110.53 178.091 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.599 ' HB2' ' NZ ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -60.98 -47.18 87.66 Favored 'General case' 0 C--O 1.217 -0.621 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.766 -177.726 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 76.4 tt0 -61.16 -41.27 96.48 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 119.956 -0.698 . . . . 0.0 109.142 -178.746 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.525 ' HG ' HD13 ' A' ' 77' ' ' LEU . 2.9 mm? -62.17 -42.07 98.92 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.441 174.292 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -65.2 -43.88 90.14 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.304 177.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -62.45 -42.57 99.56 Favored 'General case' 0 CA--C 1.5 -0.947 0 N-CA-C 108.49 -0.929 . . . . 0.0 108.49 175.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.519 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . 9.6 t-20 -80.9 14.24 2.3 Favored 'General case' 0 C--N 1.308 -1.215 0 CA-C-N 115.032 -0.985 . . . . 0.0 109.807 177.088 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.568 ' HA2' ' HG3' ' A' ' 30' ' ' LYS . . . -80.95 32.41 2.47 Favored Glycine 0 C--O 1.228 -0.219 0 N-CA-C 109.492 -1.443 . . . . 0.0 109.492 176.441 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.469 ' H ' ' C ' ' A' ' 64' ' ' ASN . 31.8 t70 -59.82 -41.1 90.55 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 123.281 0.632 . . . . 0.0 110.406 -178.721 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -146.5 -75.16 0.02 OUTLIER Glycine 0 C--N 1.317 -0.503 0 N-CA-C 110.659 -0.977 . . . . 0.0 110.659 179.718 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.571 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . 4.5 mp0 -123.12 -174.95 3.06 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.021 0.439 . . . . 0.0 110.421 -179.389 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.759 HG11 ' HB2' ' A' ' 33' ' ' LEU . 1.9 p -127.94 129.24 69.7 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.174 0 N-CA-C 107.023 -1.473 . . . . 0.0 107.023 168.349 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.598 ' CG ' ' N ' ' A' ' 71' ' ' PHE . 1.0 OUTLIER -98.06 177.2 5.49 Favored 'General case' 0 C--N 1.302 -1.467 0 C-N-CA 120.353 -0.539 . . . . 0.0 110.03 -178.493 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.605 ' O ' HG22 ' A' ' 75' ' ' VAL . 47.4 t80 -58.12 -42.1 85.06 Favored 'General case' 0 C--N 1.31 -1.152 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 -178.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -60.81 -41.95 96.7 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.213 178.52 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.755 ' HB2' HG23 ' A' ' 69' ' ' VAL . 77.6 mt-10 -68.16 -40.28 82.37 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 119.741 -0.784 . . . . 0.0 109.387 173.395 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -61.86 -47.56 84.49 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.17 -0.923 . . . . 0.0 112.327 -176.069 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.872 HG21 ' CB ' ' B' ' 79' ' ' ALA . 16.6 m -64.88 -40.68 89.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 C-N-CA 120.527 -0.469 . . . . 0.0 111.988 -177.779 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.455 HG22 ' O ' ' A' ' 73' ' ' GLU . 33.3 m -64.69 -39.9 87.21 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.825 0 C-N-CA 120.641 -0.424 . . . . 0.0 110.792 179.827 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.807 HD22 HD11 ' A' ' 33' ' ' LEU . 59.2 tp -61.46 -48.95 78.77 Favored 'General case' 0 CA--C 1.509 -0.625 0 CA-C-O 120.89 0.376 . . . . 0.0 109.994 -179.463 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.669 HG12 HD23 ' A' ' 37' ' ' LEU . 8.2 m -68.59 -43.29 83.58 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.044 0 C-N-CA 120.082 -0.647 . . . . 0.0 110.4 177.674 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.819 ' CB ' HG21 ' B' ' 75' ' ' VAL . . . -62.22 -47.75 83.02 Favored 'General case' 0 CA--C 1.511 -0.526 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.419 179.7 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.92 -46.86 84.35 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.508 ' CD1' HD11 ' A' ' 37' ' ' LEU . 96.2 mt -63.46 -41.93 98.61 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.825 175.856 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.456 HG21 ' HB3' ' B' ' 8' ' ' MET . 97.7 m -60.94 -51.03 71.01 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.201 -177.889 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 14.7 p -63.82 -43.08 97.77 Favored 'Isoleucine or valine' 0 C--O 1.237 0.407 0 C-N-CA 120.148 -0.621 . . . . 0.0 110.229 179.21 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.56 -50.32 73.49 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 120.424 -0.511 . . . . 0.0 109.809 177.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.469 ' SD ' ' HD1' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -66.63 -44.62 81.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.892 0.377 . . . . 0.0 111.101 177.415 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.434 ' O ' ' HB2' ' A' ' 89' ' ' PHE . 9.0 m120 -65.11 -21.4 66.79 Favored 'General case' 0 CA--C 1.511 -0.543 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.578 -177.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.402 ' OD1' ' CZ ' ' B' ' 26' ' ' TYR . 43.5 t30 -57.88 -39.61 78.25 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 175.095 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.473 ' O ' ' N ' ' A' ' 92' ' ' ASN . 83.0 m-85 -63.42 -35.11 79.32 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.19 177.194 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.434 ' HB2' ' O ' ' A' ' 86' ' ' ASN . 7.7 m-85 -55.84 -48.32 75.71 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 119.982 -0.687 . . . . 0.0 109.856 -179.061 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.513 ' NE1' ' CE1' ' B' ' 16' ' ' HIS . 29.2 m95 -75.93 -46.51 29.49 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.986 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -68.21 -36.45 79.56 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -179.246 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.473 ' N ' ' O ' ' A' ' 88' ' ' PHE . 49.9 t30 -52.02 107.4 0.2 Allowed 'General case' 0 CA--C 1.511 -0.528 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 -179.721 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.1 t . . . . . 0 C--O 1.21 -1.007 0 CA-C-O 118.242 -0.885 . . . . 0.0 110.793 -172.922 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.578 0 N-CA-C 111.149 -0.78 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 2' ' ' SER . . . . . 0.411 ' O ' ' HB2' ' B' ' 5' ' ' GLU . 4.3 m -72.91 166.77 22.35 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 178.512 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -57.89 -32.53 67.81 Favored 'General case' 0 CA--C 1.509 -0.633 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 178.529 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.693 ' CD1' HG22 ' A' ' 10' ' ' THR . 0.4 OUTLIER -60.48 -42.18 95.75 Favored 'General case' 0 CA--C 1.506 -0.737 0 N-CA-C 107.821 -1.177 . . . . 0.0 107.821 177.303 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.411 ' HB2' ' O ' ' B' ' 2' ' ' SER . 49.3 mt-10 -63.73 -41.91 97.99 Favored 'General case' 0 N--CA 1.436 -1.164 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.079 177.415 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.443 ' O ' ' N ' ' B' ' 10' ' ' THR . 7.5 m -60.46 -45.41 93.78 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 174.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.758 ' HB1' ' HB1' ' A' ' 7' ' ' ALA . . . -59.1 -45.71 90.16 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.915 178.381 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 8' ' ' MET . . . . . 0.597 ' SD ' HD11 ' A' ' 11' ' ' LEU . 95.5 mmm -64.4 -39.82 94.6 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.549 -0.461 . . . . 0.0 110.206 177.613 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 64.2 mt-10 -63.13 -37.77 88.54 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 120.207 -0.597 . . . . 0.0 109.418 173.238 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.498 HG22 ' CD1' ' A' ' 4' ' ' LEU . 7.2 m -59.25 -44.32 92.38 Favored 'General case' 0 N--CA 1.445 -0.717 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 178.549 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.615 HD11 ' SD ' ' A' ' 8' ' ' MET . 95.3 mt -63.01 -41.94 99.7 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.997 174.448 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.459 HG23 ' CD2' ' B' ' 16' ' ' HIS . 15.4 mm -62.21 -44.15 98.75 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 179.483 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 24.7 m-80 -61.37 -43.87 98.14 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.368 -178.612 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 56.9 t -66.24 -48.04 82.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 C-N-CA 120.34 -0.544 . . . . 0.0 110.362 175.59 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.51 ' CE2' ' HB3' ' B' ' 28' ' ' LEU . 56.8 t80 -59.13 -48.6 81.01 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.599 -179.061 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.537 ' CE1' ' CB ' ' B' ' 26' ' ' TYR . 12.5 m-70 -67.9 -35.02 77.75 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.853 -177.755 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.37 -45.73 93.18 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.854 179.692 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.489 ' CD2' HD22 ' B' ' 36' ' ' LEU . 89.6 m-70 -65.56 -29.69 70.34 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.029 179.274 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.578 ' HB3' ' O ' ' B' ' 25' ' ' LYS . 14.7 m -49.86 -31.32 11.72 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.364 -177.133 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -54.45 -32.75 52.9 Favored Glycine 0 C--N 1.32 -0.325 0 N-CA-C 110.258 -1.137 . . . . 0.0 110.258 179.785 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.475 ' HD2' ' H ' ' B' ' 21' ' ' LYS . 0.2 OUTLIER -63.31 -45.08 93.01 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.108 176.006 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 70.6 tt0 -70.74 -44.91 65.81 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 121.027 0.441 . . . . 0.0 111.6 176.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.64 -3.85 62.4 Favored Glycine 0 CA--C 1.537 1.41 0 CA-C-N 116.079 -0.509 . . . . 0.0 113.501 177.031 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 54.9 t0 -58.38 -51.33 70.27 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 178.771 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.578 ' O ' ' HB3' ' B' ' 19' ' ' SER . 55.9 pttt 164.16 -128.46 0.0 OUTLIER 'General case' 0 C--N 1.309 -1.176 0 C-N-CA 126.134 1.774 . . . . 0.0 106.912 174.771 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.537 ' CB ' ' CE1' ' B' ' 16' ' ' HIS . 0.9 OUTLIER -74.92 92.2 2.54 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 118.263 -1.375 . . . . 0.0 108.109 170.315 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.439 ' O ' ' HA ' ' B' ' 19' ' ' SER . 4.7 mmmm -153.94 162.44 41.22 Favored 'General case' 0 CA--C 1.507 -0.688 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.803 -175.196 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.649 HD11 ' HB2' ' B' ' 32' ' ' GLU . 44.2 tp -135.27 134.67 40.2 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-O 121.293 0.568 . . . . 0.0 110.598 172.645 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -110.57 169.3 8.84 Favored 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 176.122 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.491 ' O ' ' NZ ' ' B' ' 34' ' ' LYS . 0.1 OUTLIER -64.31 -3.48 2.91 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-O 121.07 0.462 . . . . 0.0 111.062 -176.552 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.522 ' O ' ' NZ ' ' B' ' 34' ' ' LYS . 41.5 mttm -60.76 -71.84 0.13 Allowed 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 179.371 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.649 ' HB2' HD11 ' B' ' 28' ' ' LEU . 36.7 mm-40 -75.71 -39.99 56.45 Favored 'General case' 0 N--CA 1.441 -0.876 0 CA-C-N 114.148 -1.387 . . . . 0.0 111.772 -177.626 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.663 HD11 ' CD2' ' B' ' 77' ' ' LEU . 2.8 tm? -44.29 -57.5 3.45 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 116.146 -0.479 . . . . 0.0 112.107 -171.101 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.522 ' NZ ' ' O ' ' B' ' 31' ' ' LYS . 23.0 pttm -61.53 -46.56 89.44 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-O 120.91 0.386 . . . . 0.0 111.63 -178.265 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -67.97 -45.49 74.05 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.999 0.428 . . . . 0.0 111.093 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.492 HD12 ' C ' ' B' ' 36' ' ' LEU . 0.1 OUTLIER -63.82 -43.49 96.06 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.021 -0.536 . . . . 0.0 112.304 177.728 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.651 HD13 ' C ' ' B' ' 37' ' ' LEU . 2.8 tm? -61.18 -47.71 84.93 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 120.646 -0.422 . . . . 0.0 111.303 -176.072 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.475 ' HG3' ' N ' ' B' ' 39' ' ' THR . 15.4 pt20 -64.76 -40.58 95.53 Favored 'General case' 0 C--N 1.315 -0.896 0 C-N-CA 119.869 -0.732 . . . . 0.0 109.669 177.729 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.475 ' N ' ' HG3' ' B' ' 38' ' ' GLN . 96.6 m -62.61 -51.98 65.19 Favored 'General case' 0 N--CA 1.441 -0.911 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.272 -177.798 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -73.17 -41.24 64.1 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.419 -0.512 . . . . 0.0 111.931 -176.401 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 9.8 mp -102.69 30.5 4.66 Favored 'General case' 0 C--O 1.238 0.473 0 N-CA-C 112.497 0.555 . . . . 0.0 112.497 -176.357 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 23.2 m -51.97 -38.79 57.88 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 120.429 -0.508 . . . . 0.0 109.902 178.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -62.35 -50.7 62.39 Favored Glycine 0 N--CA 1.453 -0.183 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 178.745 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.519 ' CE2' ' HA ' ' B' ' 82' ' ' THR . 19.3 m-85 -62.41 -45.79 91.53 Favored 'General case' 0 CA--C 1.509 -0.617 0 CA-C-O 121.084 0.468 . . . . 0.0 110.097 176.575 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.497 ' O ' HD12 ' B' ' 45' ' ' LEU . 2.7 tp -61.04 -48.74 80.38 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.088 178.192 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -65.76 -41.45 92.07 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-O 120.68 0.276 . . . . 0.0 111.602 176.616 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 47' ' ' ALA . . . . . 0.682 ' HB3' ' SD ' ' B' ' 85' ' ' MET . . . -63.52 -41.66 98.49 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.873 -176.454 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.422 ' NE2' ' HB ' ' B' ' 54' ' ' VAL . 0.0 OUTLIER -117.94 30.28 7.34 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.856 0.36 . . . . 0.0 111.196 -177.749 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' B' ' 45' ' ' LEU . 59.0 tttp -61.48 -42.7 99.18 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.345 -176.611 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -64.54 -27.96 69.32 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.007 -177.776 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 58.5 t -63.74 130.5 28.66 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 -176.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.498 ' OD2' ' NZ ' ' B' ' 56' ' ' LYS . 37.4 t70 -60.72 -36.68 79.44 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.027 -178.331 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.425 ' O ' HG23 ' B' ' 57' ' ' VAL . . . -53.6 -28.36 31.97 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.297 179.6 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.463 ' CG1' ' N ' ' B' ' 55' ' ' ASP . 0.3 OUTLIER -59.15 -47.49 90.01 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 C-N-CA 119.929 -0.709 . . . . 0.0 109.149 178.296 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.494 ' OD2' ' NZ ' ' B' ' 59' ' ' LYS . 28.5 t70 -63.82 -44.95 91.7 Favored 'General case' 0 CA--C 1.492 -1.281 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 175.497 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 56' ' ' LYS . . . . . 0.498 ' NZ ' ' OD2' ' B' ' 52' ' ' ASP . 41.6 mmtm -63.59 -42.33 98.28 Favored 'General case' 0 N--CA 1.437 -1.125 0 CA-C-N 115.106 -0.952 . . . . 0.0 111.19 -172.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.592 HG12 HD12 ' B' ' 77' ' ' LEU . 98.2 t -61.05 -45.7 98.07 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 C-N-CA 119.39 -0.924 . . . . 0.0 108.879 176.018 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 13.2 mmm -61.12 -42.49 98.64 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 177.142 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 59' ' ' LYS . . . . . 0.494 ' NZ ' ' OD2' ' B' ' 55' ' ' ASP . 1.1 tppm? -65.36 -44.93 86.08 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.138 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 60' ' ' GLU . . . . . 0.413 ' HG3' ' O ' ' B' ' 56' ' ' LYS . 96.2 mt-10 -66.31 -40.92 90.27 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.321 -178.674 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.668 HD13 ' OD1' ' B' ' 64' ' ' ASN . 2.6 mm? -76.92 -7.81 56.23 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.983 -177.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -63.59 -35.65 81.2 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 173.749 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -61.81 -37.74 85.52 Favored 'General case' 0 CA--C 1.508 -0.642 0 CA-C-N 115.342 -0.844 . . . . 0.0 109.708 177.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 64' ' ' ASN . . . . . 0.668 ' OD1' HD13 ' B' ' 61' ' ' LEU . 12.2 m120 -62.72 -14.59 46.14 Favored 'General case' 0 C--N 1.308 -1.218 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.511 -179.339 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.446 ' N ' ' HE3' ' B' ' 30' ' ' LYS . . . -73.14 29.69 0.8 Allowed Glycine 0 CA--C 1.527 0.791 0 N-CA-C 110.226 -1.15 . . . . 0.0 110.226 173.279 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.549 ' H ' ' C ' ' B' ' 64' ' ' ASN . 24.2 t70 -60.12 -40.45 89.78 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-O 121.335 0.588 . . . . 0.0 109.761 -179.417 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -151.88 -59.76 0.01 OUTLIER Glycine 0 C--N 1.316 -0.582 0 N-CA-C 108.795 -1.722 . . . . 0.0 108.795 175.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -136.45 173.47 11.67 Favored 'General case' 0 C--N 1.315 -0.892 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 173.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.457 HG23 ' HB3' ' B' ' 73' ' ' GLU . 2.5 p -120.79 124.17 71.8 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.988 0 N-CA-C 107.805 -1.184 . . . . 0.0 107.805 172.653 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.12 -178.52 5.0 Favored 'General case' 0 C--N 1.316 -0.879 0 C-N-CA 119.592 -0.843 . . . . 0.0 111.746 -174.035 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -60.05 -44.23 94.83 Favored 'General case' 0 C--N 1.308 -1.197 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.457 -178.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.435 ' O ' HG22 ' B' ' 75' ' ' VAL . 0.3 OUTLIER -58.45 -44.46 89.24 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.33 178.332 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.559 ' O ' HG22 ' B' ' 76' ' ' VAL . 97.3 mt-10 -69.85 -35.82 75.04 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.407 0.622 . . . . 0.0 110.768 176.546 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 30.4 t80 -60.98 -46.04 92.33 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.492 177.74 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.819 HG21 ' CB ' ' A' ' 79' ' ' ALA . 35.8 m -64.57 -38.15 81.89 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.326 0 C-N-CA 120.403 -0.519 . . . . 0.0 112.079 -176.649 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.559 HG22 ' O ' ' B' ' 73' ' ' GLU . 26.9 m -63.6 -38.89 83.44 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.635 0 C-N-CA 120.096 -0.642 . . . . 0.0 111.083 -179.453 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.663 ' CD2' HD11 ' B' ' 33' ' ' LEU . 44.5 tp -61.32 -48.15 82.67 Favored 'General case' 0 CA--C 1.515 -0.377 0 C-N-CA 120.491 -0.483 . . . . 0.0 110.542 179.742 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.436 HG12 ' CD2' ' B' ' 37' ' ' LEU . 34.7 m -69.89 -45.42 76.98 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 C-N-CA 119.849 -0.74 . . . . 0.0 110.685 174.871 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.872 ' CB ' HG21 ' A' ' 75' ' ' VAL . . . -62.07 -46.62 88.3 Favored 'General case' 0 CA--C 1.509 -0.616 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -178.334 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.62 -41.65 90.9 Favored 'General case' 0 N--CA 1.446 -0.647 0 C-N-CA 120.31 -0.556 . . . . 0.0 109.631 -177.365 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.4 HD22 HG23 ' B' ' 54' ' ' VAL . 96.5 mt -65.13 -41.39 94.86 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.423 0.63 . . . . 0.0 109.469 173.019 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.531 HG21 ' HB3' ' A' ' 8' ' ' MET . 21.1 m -61.35 -50.2 73.87 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.682 -178.494 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.435 ' HA ' ' HB3' ' B' ' 86' ' ' ASN . 14.8 p -63.55 -42.16 95.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 C-N-CA 120.376 -0.529 . . . . 0.0 109.793 178.128 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.48 -52.63 64.62 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.36 178.569 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 85' ' ' MET . . . . . 0.682 ' SD ' ' HB3' ' B' ' 47' ' ' ALA . 37.3 ttp -65.93 -38.99 90.09 Favored 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 177.76 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.513 HD21 ' CD2' ' A' ' 16' ' ' HIS . 26.4 t30 -59.03 -41.41 87.71 Favored 'General case' 0 CA--C 1.508 -0.641 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.825 179.094 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.34 -42.93 96.71 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 178.182 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.549 ' O ' ' N ' ' B' ' 92' ' ' ASN . 31.8 m-85 -67.88 -33.38 74.63 Favored 'General case' 0 C--O 1.215 -0.735 0 CA-C-N 115.417 -0.81 . . . . 0.0 111.881 174.075 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 89' ' ' PHE . . . . . 0.467 ' HB2' ' HA ' ' B' ' 86' ' ' ASN . 3.9 t80 -53.15 -47.81 68.46 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 -173.724 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 90' ' ' TRP . . . . . 0.419 ' NE1' ' CE1' ' A' ' 16' ' ' HIS . 28.2 m95 -78.79 -38.51 38.21 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.823 177.325 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -90.14 6.81 41.0 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -174.601 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 92' ' ' ASN . . . . . 0.549 ' N ' ' O ' ' B' ' 88' ' ' PHE . 4.4 t-20 -59.65 114.98 3.02 Favored 'General case' 0 CA--C 1.505 -0.779 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 -177.308 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.204 -1.316 0 CA-C-O 118.13 -0.938 . . . . 0.0 110.175 -177.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.6 m . . . . . 0 C--O 1.248 0.989 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -57.61 -43.66 84.89 Favored 'General case' 0 CA--C 1.51 -0.582 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.887 HD13 ' CD2' ' B' ' 11' ' ' LEU . 0.2 OUTLIER -61.2 -44.18 97.7 Favored 'General case' 0 CA--C 1.5 -0.964 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.303 177.883 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -61.8 -45.91 91.8 Favored 'General case' 0 N--CA 1.432 -1.339 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.0 m -64.29 -48.95 73.71 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.707 175.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.29 -48.8 80.27 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.944 0.402 . . . . 0.0 110.642 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.513 ' HG2' ' O ' ' A' ' 4' ' ' LEU . 97.5 mmm -64.41 -40.58 96.06 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.652 -179.173 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.423 ' O ' ' HB ' ' A' ' 12' ' ' ILE . 91.4 mt-10 -65.14 -36.75 85.24 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.236 -0.586 . . . . 0.0 110.588 175.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 19.3 m -59.52 -42.07 91.4 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 176.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.662 HD23 HD12 ' B' ' 4' ' ' LEU . 89.3 mt -61.66 -40.55 95.32 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 173.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.51 HD13 ' CD1' ' A' ' 71' ' ' PHE . 19.4 mm -62.01 -43.73 98.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.811 178.183 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 -60.73 -45.46 94.2 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 120.659 -0.416 . . . . 0.0 109.984 -177.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 1.064 HG21 HD21 ' B' ' 4' ' ' LEU . 53.3 t -65.09 -45.37 94.48 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.685 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.344 175.539 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.477 ' CE1' ' HB2' ' A' ' 28' ' ' LEU . 83.9 t80 -59.29 -47.58 84.84 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 177.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -58.43 -42.64 87.76 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.966 176.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.79 -50.15 73.18 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.564 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.598 ' CD2' HD13 ' A' ' 36' ' ' LEU . 88.1 m-70 -69.23 -40.68 77.79 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.538 178.341 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 36.0 m -57.48 -39.2 75.87 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 120.059 -0.656 . . . . 0.0 109.676 178.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.22 -43.07 98.83 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 109.662 -1.375 . . . . 0.0 109.662 175.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -67.06 -44.34 80.39 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 121.263 -0.175 . . . . 0.0 111.367 178.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.76 -35.51 80.27 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 120.235 -0.586 . . . . 0.0 110.892 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 119.2 -23.55 8.55 Favored Glycine 0 N--CA 1.461 0.348 0 C-N-CA 121.383 -0.437 . . . . 0.0 113.272 172.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -69.6 150.62 46.87 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 117.639 0.719 . . . . 0.0 110.715 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 35.3 pttt -60.33 -34.82 74.37 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 176.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -168.12 90.67 0.3 Allowed 'General case' 0 N--CA 1.446 -0.655 0 CA-C-O 121.775 0.798 . . . . 0.0 110.913 169.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.575 ' CE ' ' HB3' ' A' ' 70' ' ' ASP . 29.4 mmmt -164.44 165.69 21.24 Favored 'General case' 0 C--N 1.313 -1.005 0 N-CA-C 105.904 -1.887 . . . . 0.0 105.904 171.624 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.574 ' HB3' ' O ' ' A' ' 69' ' ' VAL . 31.4 tp -124.72 125.46 44.11 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 175.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.1 m -82.0 157.48 24.2 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 177.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.469 ' HD3' HG12 ' A' ' 69' ' ' VAL . 20.0 mmtp -65.73 -5.88 9.97 Favored 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 120.3 -0.56 . . . . 0.0 109.774 179.514 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 62.7 mttm -63.19 -46.05 88.91 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.517 ' HB2' HD11 ' A' ' 28' ' ' LEU . 58.9 mm-40 -89.05 -38.04 14.69 Favored 'General case' 0 N--CA 1.44 -0.944 0 CA-C-N 113.65 -1.613 . . . . 0.0 111.701 -175.56 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.827 HD11 ' CD2' ' A' ' 77' ' ' LEU . 3.2 tm? -56.99 -45.16 83.17 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.74 -0.664 . . . . 0.0 112.04 -167.322 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.56 -44.69 89.92 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 118.819 -1.152 . . . . 0.0 109.843 178.616 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.434 ' O ' ' OG1' ' A' ' 39' ' ' THR . 76.9 mt-10 -64.99 -46.54 81.03 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 179.429 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.598 HD13 ' CD2' ' A' ' 18' ' ' HIS . 4.4 tp -62.07 -51.47 67.84 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.176 -0.92 . . . . 0.0 111.774 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.789 HD21 HD12 ' A' ' 81' ' ' LEU . 2.7 tm? -63.97 -46.09 86.21 Favored 'General case' 0 C--N 1.305 -1.352 0 C-N-CA 119.483 -0.887 . . . . 0.0 111.83 -175.708 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -66.71 -39.2 87.93 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.302 -0.559 . . . . 0.0 110.714 178.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.434 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 59.6 m -70.56 -60.23 2.38 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.386 -177.413 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.445 ' CD ' HD12 ' A' ' 36' ' ' LEU . 14.9 mp0 -62.87 -36.81 84.5 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 -176.079 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.489 HD22 HD21 ' A' ' 37' ' ' LEU . 10.2 mp -99.46 39.36 1.31 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.776 0.322 . . . . 0.0 110.777 178.176 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 60.4 m -57.89 -44.55 86.81 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 120.209 -0.596 . . . . 0.0 111.594 -175.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -66.74 -43.64 91.33 Favored Glycine 0 C--N 1.32 -0.356 0 N-CA-C 111.231 -0.747 . . . . 0.0 111.231 179.161 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -64.3 -45.87 86.05 Favored 'General case' 0 CA--C 1.496 -1.099 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 178.125 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.489 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 40.5 tp -62.03 -47.14 86.08 Favored 'General case' 0 N--CA 1.429 -1.48 0 CA-C-N 114.831 -1.077 . . . . 0.0 111.09 176.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.508 ' HA ' ' HE3' ' A' ' 49' ' ' LYS . 28.4 t70 -62.09 -36.79 82.77 Favored 'General case' 0 CA--C 1.506 -0.722 0 CA-C-O 120.857 0.36 . . . . 0.0 110.264 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.411 ' HB3' ' HG3' ' A' ' 85' ' ' MET . . . -63.39 -25.0 68.09 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.339 176.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.559 ' NE2' ' HB ' ' A' ' 54' ' ' VAL . 0.0 OUTLIER -147.83 46.57 1.1 Allowed 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 -175.066 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.508 ' HE3' ' HA ' ' A' ' 46' ' ' ASP . 76.5 mttt -62.78 -44.11 97.04 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 120.995 0.426 . . . . 0.0 111.076 176.491 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -82.04 -8.7 59.68 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.75 -0.659 . . . . 0.0 112.4 -175.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.827 ' O ' HG12 ' A' ' 54' ' ' VAL . 72.9 t -68.2 135.96 27.43 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 -178.244 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.479 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 34.4 t70 -59.99 -36.31 76.9 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 120.991 0.424 . . . . 0.0 110.935 -175.377 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.564 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -52.77 -42.51 65.08 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.425 -177.034 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.827 HG12 ' O ' ' A' ' 51' ' ' VAL . 7.2 p -60.28 -38.31 76.98 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.301 0 C-N-CA 119.671 -0.812 . . . . 0.0 111.207 -179.097 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -60.73 -54.26 47.44 Favored 'General case' 0 CA--C 1.509 -0.619 0 CA-C-O 121.684 0.754 . . . . 0.0 109.944 178.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.479 ' NZ ' ' OD2' ' A' ' 52' ' ' ASP . 61.7 mttp -65.82 -42.41 90.63 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-N 114.785 -1.098 . . . . 0.0 111.253 -179.739 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 53' ' ' ALA . 55.8 t -63.33 -45.13 98.98 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 179.067 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 45.3 ttm -61.05 -48.62 80.91 Favored 'General case' 0 N--CA 1.432 -1.326 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.407 177.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.7 tttm -72.3 -44.68 62.37 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 113.792 1.034 . . . . 0.0 113.792 -177.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -52.06 -18.24 1.35 Allowed 'General case' 0 C--N 1.31 -1.131 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -176.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.604 ' HG ' HD13 ' A' ' 77' ' ' LEU . 2.3 mm? -80.8 -7.65 59.47 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.102 176.112 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 65' ' ' GLY . 59.9 m-20 -61.95 -35.79 79.51 Favored 'General case' 0 CA--C 1.509 -0.607 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 175.414 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -59.49 -36.04 75.27 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 176.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.425 ' O ' ' HE3' ' A' ' 30' ' ' LYS . 4.8 m-20 -84.1 9.79 11.72 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.206 174.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . -89.0 13.03 64.26 Favored Glycine 0 N--CA 1.452 -0.299 0 N-CA-C 108.377 -1.889 . . . . 0.0 108.377 172.166 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -55.98 -44.33 78.45 Favored 'General case' 0 CA--C 1.509 -0.615 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 -179.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -140.74 -69.48 0.04 OUTLIER Glycine 0 C--N 1.312 -0.773 0 N-CA-C 108.737 -1.745 . . . . 0.0 108.737 175.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.499 ' N ' ' CD ' ' A' ' 68' ' ' GLU . 0.5 OUTLIER -143.55 -179.12 6.24 Favored 'General case' 0 C--N 1.314 -0.935 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 175.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.846 HG23 ' CB ' ' A' ' 73' ' ' GLU . 2.0 p -126.64 136.1 61.79 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.248 0 N-CA-C 106.94 -1.504 . . . . 0.0 106.94 176.053 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.575 ' HB3' ' CE ' ' A' ' 27' ' ' LYS . 1.4 p30 -122.79 -161.63 0.96 Allowed 'General case' 0 CA--C 1.494 -1.181 0 C-N-CA 119.751 -0.779 . . . . 0.0 112.786 -179.216 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.801 ' O ' HG22 ' A' ' 75' ' ' VAL . 45.7 t80 -59.0 -44.58 91.7 Favored 'General case' 0 C--N 1.31 -1.121 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 -173.113 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.478 ' HG3' HG11 ' B' ' 83' ' ' VAL . 36.9 mt-30 -61.09 -44.86 96.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.187 177.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.846 ' CB ' HG23 ' A' ' 69' ' ' VAL . 2.1 mp0 -69.68 -42.07 74.64 Favored 'General case' 0 CA--C 1.548 0.891 0 CA-C-O 121.46 0.648 . . . . 0.0 110.438 176.638 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.545 ' CE1' HD21 ' A' ' 36' ' ' LEU . 31.4 t80 -62.68 -47.89 81.71 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 115.586 -0.734 . . . . 0.0 112.549 -177.049 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.827 HG21 ' CB ' ' B' ' 79' ' ' ALA . 13.2 m -61.7 -42.94 96.22 Favored 'Isoleucine or valine' 0 C--O 1.237 0.415 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -176.546 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 8.2 p -63.52 -39.3 84.82 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.735 0 C-N-CA 120.099 -0.64 . . . . 0.0 110.358 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.827 ' CD2' HD11 ' A' ' 33' ' ' LEU . 53.5 tp -62.1 -48.04 81.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.948 -178.428 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.702 HG12 HD23 ' A' ' 37' ' ' LEU . 9.5 m -68.66 -41.81 82.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 C-N-CA 120.025 -0.67 . . . . 0.0 110.528 177.124 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.917 ' CB ' HG21 ' B' ' 75' ' ' VAL . . . -62.43 -40.0 95.17 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.737 178.713 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.92 -47.35 83.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.233 0.54 . . . . 0.0 109.647 179.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.789 HD12 HD21 ' A' ' 37' ' ' LEU . 97.5 mt -63.59 -40.89 98.09 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.818 175.063 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.423 HG21 ' HB3' ' B' ' 8' ' ' MET . 20.9 m -60.08 -50.19 74.67 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.395 -178.185 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.594 HG23 ' HH2' ' A' ' 90' ' ' TRP . 10.4 p -62.77 -42.65 97.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 C-N-CA 120.367 -0.533 . . . . 0.0 110.315 178.019 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -58.39 -50.85 72.2 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-O 120.965 0.412 . . . . 0.0 110.149 177.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.411 ' HG3' ' HB3' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -70.91 -46.87 61.76 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.277 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.496 ' O ' ' HB2' ' A' ' 89' ' ' PHE . 9.5 m120 -66.9 -21.72 65.99 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.556 -178.577 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.552 ' HA ' ' CE3' ' A' ' 90' ' ' TRP . 20.7 t-20 -56.52 -38.55 71.98 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 174.552 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -63.8 -38.0 89.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.551 174.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.496 ' HB2' ' O ' ' A' ' 86' ' ' ASN . 7.2 m-85 -57.89 -46.13 85.36 Favored 'General case' 0 CA--C 1.508 -0.656 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.681 179.381 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.594 ' HH2' HG23 ' A' ' 83' ' ' VAL . 2.0 m0 . . . . . 0 C--N 1.308 -1.219 0 CA-C-O 121.335 0.588 . . . . 0.0 110.4 -176.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . 0.408 ' N ' ' OE2' ' B' ' 5' ' ' GLU . 3.9 m . . . . . 0 C--O 1.247 0.971 0 CA-C-O 121.155 0.502 . . . . 0.0 111.103 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . 0.477 ' H ' ' CD ' ' B' ' 3' ' ' GLU . 1.8 mp0 -57.62 -41.04 80.5 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 1.064 HD21 HG21 ' A' ' 14' ' ' VAL . 1.4 mm? -62.14 -43.51 98.67 Favored 'General case' 0 CA--C 1.503 -0.83 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 178.46 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . 0.449 ' CG ' ' HA ' ' A' ' 41' ' ' LEU . 43.6 mt-10 -62.96 -42.64 99.88 Favored 'General case' 0 N--CA 1.437 -1.078 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 -179.744 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 7.2 m -61.52 -46.31 90.52 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.25 -0.887 . . . . 0.0 109.028 174.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.27 -47.09 84.72 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.796 178.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . 0.662 ' SD ' HD12 ' B' ' 11' ' ' LEU . 96.2 mmm -63.61 -40.67 97.52 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.691 179.074 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -62.67 -38.7 91.4 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 119.673 -0.811 . . . . 0.0 109.201 174.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 7.6 m -58.95 -43.17 91.2 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 177.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.887 ' CD2' HD13 ' A' ' 4' ' ' LEU . 97.6 mt -62.41 -42.06 99.15 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 176.42 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.487 HD13 ' CD1' ' B' ' 71' ' ' PHE . 21.2 mm -63.04 -44.61 99.7 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -61.64 -42.67 99.22 Favored 'General case' 0 CA--C 1.503 -0.842 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.883 -177.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.71 HG21 HD21 ' A' ' 4' ' ' LEU . 70.1 t -64.87 -44.93 96.21 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.678 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.915 175.297 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -58.06 -47.49 82.99 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 178.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -63.99 -37.6 88.02 Favored 'General case' 0 C--O 1.24 0.59 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.772 176.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.529 ' O ' ' HG2' ' B' ' 21' ' ' LYS . . . -53.62 -34.34 58.14 Favored 'General case' 0 CA--C 1.511 -0.526 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 179.128 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.518 ' NE2' HD13 ' B' ' 36' ' ' LEU . 94.6 m-70 -88.51 -35.6 16.89 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 179.626 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 68.9 m -54.92 -40.05 69.47 Favored 'General case' 0 C--O 1.242 0.672 0 CA-C-O 121.265 0.555 . . . . 0.0 109.666 178.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.62 -38.23 95.95 Favored Glycine 0 N--CA 1.45 -0.43 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 178.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . 0.529 ' HG2' ' O ' ' B' ' 17' ' ' ALA . 15.6 mmtp -64.3 -48.66 74.82 Favored 'General case' 0 C--O 1.238 0.5 0 CA-C-O 121.059 0.457 . . . . 0.0 109.875 -177.549 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.596 ' CD ' ' H ' ' B' ' 29' ' ' SER . 99.1 mt-10 -69.73 -40.38 76.25 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.128 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 113.52 47.89 0.62 Allowed Glycine 0 CA--C 1.516 0.098 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.853 175.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -131.27 149.4 52.58 Favored 'General case' 0 CA--C 1.509 -0.606 0 CA-C-N 116.785 0.292 . . . . 0.0 110.34 176.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.4 ' HE2' ' CZ ' ' B' ' 26' ' ' TYR . 20.7 pttm -61.86 -39.8 93.15 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 177.176 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.465 ' CG ' ' CE3' ' A' ' 90' ' ' TRP . 1.6 p90 -162.4 93.76 0.86 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.961 171.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.478 ' NZ ' ' OE1' ' B' ' 68' ' ' GLU . 2.2 mmtm -163.64 158.68 20.8 Favored 'General case' 0 CA--C 1.498 -1.054 0 CA-C-N 115.171 -0.922 . . . . 0.0 109.056 172.464 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.527 HD21 HD23 ' B' ' 33' ' ' LEU . 45.8 tp -126.04 136.6 53.13 Favored 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 172.163 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.596 ' H ' ' CD ' ' B' ' 22' ' ' GLU . 1.4 m -106.33 167.59 9.72 Favored 'General case' 0 C--N 1.305 -1.34 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 179.182 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.462 ' NZ ' ' O ' ' B' ' 61' ' ' LEU . 13.5 mmmm -66.93 -3.28 6.64 Favored 'General case' 0 C--N 1.313 -0.982 0 C-N-CA 120.124 -0.63 . . . . 0.0 111.763 -176.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.451 ' HD2' ' HG2' ' B' ' 22' ' ' GLU . 0.5 OUTLIER -81.92 -60.8 2.11 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -178.834 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.49 ' O ' ' HB3' ' B' ' 36' ' ' LEU . 58.2 mm-40 -65.76 -35.96 82.21 Favored 'General case' 0 CA--C 1.507 -0.682 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 175.443 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.887 HD21 HD23 ' B' ' 77' ' ' LEU . 2.4 tm? -56.84 -44.4 82.08 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.756 -171.48 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.427 ' HG3' ' O ' ' B' ' 30' ' ' LYS . 46.8 mttp -62.56 -45.61 92.15 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 119.668 -0.813 . . . . 0.0 109.38 -178.48 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -70.04 -42.97 72.2 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 114.789 -1.096 . . . . 0.0 109.99 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.778 HD21 ' CE1' ' B' ' 74' ' ' TYR . 2.5 tp -60.6 -47.53 85.81 Favored 'General case' 0 C--N 1.309 -1.17 0 CA-C-N 115.428 -0.805 . . . . 0.0 111.435 178.518 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.694 HD23 HG12 ' B' ' 78' ' ' VAL . 2.8 tm? -62.78 -45.96 90.2 Favored 'General case' 0 C--N 1.314 -0.946 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.895 -177.541 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.417 ' HG3' ' N ' ' B' ' 39' ' ' THR . 13.8 pt20 -65.81 -40.12 91.57 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.071 -0.652 . . . . 0.0 110.515 176.206 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.417 ' N ' ' HG3' ' B' ' 38' ' ' GLN . 79.3 m -62.25 -52.32 64.21 Favored 'General case' 0 C--O 1.241 0.625 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.271 -176.464 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.509 ' HB3' ' HB2' ' A' ' 4' ' ' LEU . 76.2 mm-40 -71.92 -43.93 64.49 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 -178.192 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.408 ' HB3' ' HB2' ' B' ' 44' ' ' PHE . 10.7 mp -95.43 40.23 1.11 Allowed 'General case' 0 C--N 1.308 -1.207 0 CA-C-O 121.056 0.455 . . . . 0.0 111.008 -178.197 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 55.8 m -52.58 -42.01 64.13 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.479 179.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.78 -47.07 57.92 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.562 -0.615 . . . . 0.0 111.562 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.578 ' HA ' ' SD ' ' B' ' 85' ' ' MET . 77.2 m-85 -68.26 -40.65 81.83 Favored 'General case' 0 CA--C 1.499 -0.982 0 CA-C-O 121.323 0.582 . . . . 0.0 110.226 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.542 ' O ' HD12 ' B' ' 45' ' ' LEU . 6.6 tp -60.23 -48.61 81.01 Favored 'General case' 0 N--CA 1.435 -1.205 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.255 -178.625 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -67.39 -38.29 84.45 Favored 'General case' 0 C--N 1.309 -1.18 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -178.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . 0.869 ' HB3' ' SD ' ' B' ' 85' ' ' MET . . . -65.16 -41.51 94.61 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.557 0.577 . . . . 0.0 112.557 -176.022 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.546 ' HB2' ' HB ' ' B' ' 51' ' ' VAL . 0.7 OUTLIER -117.49 48.56 1.33 Allowed 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 121.167 0.508 . . . . 0.0 111.951 -177.384 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 15.6 mtpt -64.65 -43.58 93.17 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.194 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 41.5 p-10 -91.93 -1.81 57.1 Favored 'General case' 0 CA--C 1.509 -0.604 0 CA-C-N 114.992 -1.004 . . . . 0.0 111.255 -174.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . 0.747 ' O ' HG12 ' B' ' 54' ' ' VAL . 86.5 t -76.92 136.83 23.69 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.109 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.111 -179.42 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -58.71 -42.01 87.64 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.328 -177.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.427 ' H ' HG12 ' B' ' 51' ' ' VAL . . . -49.74 -40.9 42.46 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.729 -0.669 . . . . 0.0 112.232 -174.261 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.747 HG12 ' O ' ' B' ' 51' ' ' VAL . 11.7 p -60.56 -42.79 92.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 C-N-CA 120.077 -0.649 . . . . 0.0 110.288 -177.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -60.85 -46.55 90.13 Favored 'General case' 0 CA--C 1.5 -0.971 0 CA-C-O 121.377 0.608 . . . . 0.0 109.785 176.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 14.9 mmtp -63.52 -43.55 96.85 Favored 'General case' 0 N--CA 1.44 -0.975 0 CA-C-N 115.182 -0.917 . . . . 0.0 109.292 -174.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.541 ' CG1' HD12 ' B' ' 77' ' ' LEU . 66.7 t -65.96 -43.14 92.86 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.451 174.608 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 34.6 mmm -59.88 -46.02 90.64 Favored 'General case' 0 CA--C 1.506 -0.737 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . 0.555 ' HA ' ' HB2' ' B' ' 62' ' ' ASP . 0.0 OUTLIER -65.35 -42.44 92.82 Favored 'General case' 0 N--CA 1.429 -1.498 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.942 176.509 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . 0.401 ' O ' ' HB2' ' B' ' 63' ' ' GLU . 41.1 tt0 -60.2 -41.54 93.17 Favored 'General case' 0 C--N 1.313 -0.997 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.873 ' HG ' HD13 ' B' ' 77' ' ' LEU . 3.1 mm? -65.27 -33.86 76.97 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.473 170.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.555 ' HB2' ' HA ' ' B' ' 59' ' ' LYS . 32.7 m-20 -63.04 -38.1 89.84 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 175.637 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . 0.488 ' HG2' ' O ' ' B' ' 59' ' ' LYS . 78.9 mm-40 -62.72 -44.39 96.34 Favored 'General case' 0 CA--C 1.511 -0.54 0 N-CA-C 106.963 -1.495 . . . . 0.0 106.963 176.255 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . 0.535 HD21 ' CD ' ' B' ' 73' ' ' GLU . 21.6 t-20 -82.05 36.07 0.45 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.937 -1.029 . . . . 0.0 108.672 171.507 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . 0.452 ' H ' ' C ' ' B' ' 63' ' ' GLU . . . -107.94 20.99 30.44 Favored Glycine 0 CA--C 1.496 -1.147 0 N-CA-C 109.843 -1.303 . . . . 0.0 109.843 -177.583 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -60.53 -43.11 97.53 Favored 'General case' 0 N--CA 1.441 -0.876 0 CA-C-N 115.447 -0.376 . . . . 0.0 110.178 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -171.9 -83.46 0.05 OUTLIER Glycine 0 C--N 1.317 -0.489 0 C-N-CA 120.807 -0.711 . . . . 0.0 111.508 177.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.478 ' OE1' ' NZ ' ' B' ' 27' ' ' LYS . 89.3 mt-10 -91.21 152.25 20.61 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.363 -0.418 . . . . 0.0 110.524 -176.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.554 HG23 ' HB3' ' B' ' 73' ' ' GLU . 1.5 p -127.46 128.0 69.44 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 173.006 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.436 ' CG ' ' N ' ' B' ' 71' ' ' PHE . 0.0 OUTLIER -94.6 -176.78 4.01 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 120.566 -0.453 . . . . 0.0 111.47 -174.697 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.487 ' CD1' HD13 ' B' ' 12' ' ' ILE . 63.3 t80 -61.37 -45.37 94.66 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.145 -177.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.441 ' HG3' HG11 ' A' ' 83' ' ' VAL . 36.9 mt-30 -61.96 -41.55 98.13 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.171 177.41 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.554 ' HB3' HG23 ' B' ' 69' ' ' VAL . 70.2 mt-10 -67.24 -41.14 86.14 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-O 121.369 0.604 . . . . 0.0 109.88 176.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . 0.778 ' CE1' HD21 ' B' ' 36' ' ' LEU . 37.1 t80 -61.83 -48.42 80.65 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.385 178.536 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.917 HG21 ' CB ' ' A' ' 79' ' ' ALA . 33.8 m -63.5 -39.58 85.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 C-N-CA 119.992 -0.683 . . . . 0.0 112.156 -175.739 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.467 HG12 ' O ' ' B' ' 73' ' ' GLU . 8.6 p -64.13 -36.73 77.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.81 -178.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.887 HD23 HD21 ' B' ' 33' ' ' LEU . 50.0 tp -60.9 -49.12 78.77 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.555 178.193 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.694 HG12 HD23 ' B' ' 37' ' ' LEU . 18.9 m -69.72 -41.22 79.95 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 C-N-CA 120.151 -0.62 . . . . 0.0 110.549 177.137 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.827 ' CB ' HG21 ' A' ' 75' ' ' VAL . . . -61.4 -49.46 76.81 Favored 'General case' 0 CA--C 1.508 -0.669 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.524 179.276 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.08 -46.8 84.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.112 0.482 . . . . 0.0 110.007 -178.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.531 ' CD1' HD11 ' B' ' 37' ' ' LEU . 98.2 mt -63.37 -41.99 98.84 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.831 176.118 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.478 HG23 ' CZ ' ' B' ' 44' ' ' PHE . 94.6 m -61.08 -51.34 69.57 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.808 -179.249 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.478 HG11 ' HG3' ' A' ' 72' ' ' GLN . 9.8 p -64.17 -42.43 95.52 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.507 0 C-N-CA 120.893 -0.323 . . . . 0.0 111.011 178.519 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -51.51 -53.72 34.67 Favored 'General case' 0 CA--C 1.505 -0.755 0 C-N-CA 120.314 -0.555 . . . . 0.0 109.528 -177.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 85' ' ' MET . . . . . 0.869 ' SD ' ' HB3' ' B' ' 47' ' ' ALA . 34.2 ttp -70.59 -45.82 64.59 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.241 177.383 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.449 ' HB2' ' O ' ' B' ' 82' ' ' THR . 4.1 t-20 -61.52 -35.59 78.14 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.732 -175.712 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -57.68 -39.85 78.09 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 176.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -63.56 -36.99 85.62 Favored 'General case' 0 C--O 1.215 -0.719 0 C-N-CA 120.284 -0.566 . . . . 0.0 109.683 173.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . 0.408 ' HB2' ' O ' ' B' ' 86' ' ' ASN . 11.0 m-85 . . . . . 0 N--CA 1.467 0.423 0 C-N-CA 120.818 -0.353 . . . . 0.0 111.062 176.257 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 4' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--O 1.241 0.658 0 CA-C-O 120.513 0.196 . . . . 0.0 110.958 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.518 ' CD ' ' H ' ' A' ' 3' ' ' GLU . 50.2 mp0 -41.87 -22.4 0.02 OUTLIER 'General case' 0 C--O 1.225 -0.188 0 C-N-CA 123.212 0.605 . . . . 0.0 111.154 179.589 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.779 HD21 HG21 ' B' ' 14' ' ' VAL . 4.2 mm? -59.94 -43.97 94.64 Favored 'General case' 0 N--CA 1.444 -0.731 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 -178.503 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -67.25 -43.54 81.68 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.151 -0.62 . . . . 0.0 111.116 178.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.7 m -60.2 -45.84 91.79 Favored 'General case' 0 C--O 1.244 0.777 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 176.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.43 -50.05 74.26 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 109.823 177.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.445 ' HG2' ' O ' ' A' ' 4' ' ' LEU . 94.5 mmm -64.98 -42.7 94.3 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.469 -0.492 . . . . 0.0 110.689 177.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -63.45 -36.67 84.53 Favored 'General case' 0 CA--C 1.51 -0.587 0 C-N-CA 120.108 -0.637 . . . . 0.0 110.983 178.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 18.9 m -58.4 -45.03 89.18 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 175.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.882 HD11 ' SD ' ' B' ' 8' ' ' MET . 82.0 mt -62.59 -41.82 99.2 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.11 174.451 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.464 HG21 ' ND2' ' B' ' 86' ' ' ASN . 18.8 mm -62.54 -44.33 99.23 Favored 'Isoleucine or valine' 0 C--O 1.239 0.549 0 CA-C-O 120.962 0.41 . . . . 0.0 109.974 -179.171 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 63.6 m-20 -61.55 -44.31 97.27 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.406 -175.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.8 HG21 HD11 ' B' ' 4' ' ' LEU . 92.2 t -63.76 -45.41 97.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 176.62 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -59.31 -48.06 83.06 Favored 'General case' 0 C--O 1.24 0.561 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.123 178.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -65.66 -39.94 91.89 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.733 176.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.87 -40.88 90.16 Favored 'General case' 0 CA--C 1.515 -0.371 0 C-N-CA 120.446 -0.501 . . . . 0.0 110.221 179.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.433 ' HB3' ' CD1' ' A' ' 28' ' ' LEU . 53.6 m-70 -82.44 -14.71 54.65 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.876 177.466 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.411 ' O ' ' N ' ' A' ' 23' ' ' GLY . 62.3 m -58.43 -37.75 76.04 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 120.012 -0.675 . . . . 0.0 110.001 178.031 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -56.48 -20.27 29.83 Favored Glycine 0 CA--C 1.523 0.557 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.693 178.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.6 mmtp -62.24 -43.01 99.79 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 122.789 -0.242 . . . . 0.0 110.74 -176.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -162.68 -3.13 0.04 OUTLIER 'General case' 0 C--O 1.22 -0.451 0 CA-C-N 116.64 -0.255 . . . . 0.0 111.177 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 19' ' ' SER . . . -60.23 143.42 47.51 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.725 -0.55 . . . . 0.0 111.725 -173.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -60.07 -48.98 79.46 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-O 121.346 0.593 . . . . 0.0 109.764 178.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.402 ' C ' ' CD1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -140.92 -72.75 0.35 Allowed 'General case' 0 CA--C 1.492 -1.275 0 N-CA-C 107.182 -1.414 . . . . 0.0 107.182 171.823 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.413 ' C ' ' HG2' ' A' ' 27' ' ' LYS . 0.2 OUTLIER -123.56 91.63 3.51 Favored 'General case' 0 N--CA 1.427 -1.604 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 172.79 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.413 ' HG2' ' C ' ' A' ' 26' ' ' TYR . 3.4 mmmm -158.3 156.54 30.8 Favored 'General case' 0 CA--C 1.498 -1.02 0 N-CA-C 107.125 -1.435 . . . . 0.0 107.125 178.404 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.661 HD11 ' CB ' ' A' ' 32' ' ' GLU . 44.8 tp -124.53 133.51 53.29 Favored 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 179.304 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.404 ' HA ' ' HA ' ' A' ' 68' ' ' GLU . 11.0 p -81.41 158.44 24.61 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 119.523 -0.871 . . . . 0.0 110.125 176.71 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.566 ' CD ' ' HB ' ' A' ' 69' ' ' VAL . 4.0 mmtm -69.68 -6.95 35.02 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 119.477 -0.889 . . . . 0.0 111.713 -175.566 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.436 ' H ' ' HG3' ' A' ' 31' ' ' LYS . 40.0 mttt -66.26 -51.29 58.99 Favored 'General case' 0 CA--C 1.497 -1.092 0 N-CA-C 107.522 -1.288 . . . . 0.0 107.522 179.26 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.661 ' CB ' HD11 ' A' ' 28' ' ' LEU . 68.3 mm-40 -70.88 -33.33 70.49 Favored 'General case' 0 N--CA 1.432 -1.367 0 CA-C-N 113.454 -1.703 . . . . 0.0 110.142 178.535 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.856 HD11 HD22 ' A' ' 77' ' ' LEU . 3.1 tm? -58.26 -51.26 70.49 Favored 'General case' 0 N--CA 1.445 -0.725 0 C-N-CA 120.277 -0.569 . . . . 0.0 109.626 -173.651 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -68.91 -42.47 76.83 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.858 174.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -69.35 -42.64 75.0 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.008 -0.542 . . . . 0.0 112.108 -175.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.497 ' O ' HD12 ' A' ' 36' ' ' LEU . 0.2 OUTLIER -80.14 -39.76 28.78 Favored 'General case' 0 C--O 1.239 0.524 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -178.199 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.618 HD13 ' C ' ' A' ' 37' ' ' LEU . 2.9 tm? -61.41 -44.55 96.95 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.521 -0.472 . . . . 0.0 110.666 -175.619 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.425 ' HG3' ' N ' ' A' ' 39' ' ' THR . 8.7 pt20 -59.2 -42.13 90.19 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.294 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.425 ' N ' ' HG3' ' A' ' 38' ' ' GLN . 0.1 OUTLIER -64.74 -53.06 53.05 Favored 'General case' 0 N--CA 1.432 -1.337 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.454 -178.524 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.668 ' HB3' HD12 ' B' ' 4' ' ' LEU . 70.1 mm-40 -70.65 -39.44 73.64 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-N 115.697 -0.683 . . . . 0.0 112.634 -171.689 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.419 HD21 ' HB ' ' A' ' 78' ' ' VAL . 10.9 mp -108.48 36.48 2.81 Favored 'General case' 0 C--O 1.242 0.675 0 CA-C-O 121.037 0.446 . . . . 0.0 109.973 -178.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.23 -34.86 72.7 Favored 'General case' 0 C--N 1.309 -1.172 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.599 -176.325 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.73 -47.07 79.57 Favored Glycine 0 C--O 1.241 0.563 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 178.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.497 ' O ' ' HG3' ' A' ' 48' ' ' GLN . 20.8 m-85 -69.29 -44.78 71.11 Favored 'General case' 0 CA--C 1.486 -1.492 0 CA-C-O 121.286 0.565 . . . . 0.0 109.503 176.472 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.548 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 49.1 tp -60.11 -46.45 89.56 Favored 'General case' 0 N--CA 1.423 -1.822 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.262 -178.695 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.487 ' HA ' ' HE3' ' A' ' 49' ' ' LYS . 22.1 t70 -63.96 -36.25 83.35 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 175.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.88 -39.49 94.32 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.71 178.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.547 HE21 ' C ' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -117.66 39.08 3.42 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 114.142 1.164 . . . . 0.0 114.142 -177.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.548 ' HG3' ' O ' ' A' ' 45' ' ' LEU . 78.7 mttt -64.05 -38.05 89.68 Favored 'General case' 0 C--N 1.316 -0.88 0 C-N-CA 120.303 -0.559 . . . . 0.0 110.021 173.073 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -89.09 12.03 16.81 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.91 -175.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 77.7 t -98.31 132.8 42.62 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 -179.046 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.421 ' OD1' ' NZ ' ' A' ' 56' ' ' LYS . 25.7 t70 -53.14 -44.19 67.56 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.05 0.452 . . . . 0.0 111.323 -176.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.683 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -56.17 -24.29 40.47 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 115.641 -0.708 . . . . 0.0 111.539 -177.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.564 ' O ' ' HG3' ' A' ' 58' ' ' MET . 1.3 p -58.87 -47.15 90.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 C-N-CA 119.726 -0.79 . . . . 0.0 110.581 -178.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.436 ' OD2' ' NZ ' ' A' ' 59' ' ' LYS . 34.1 t70 -71.07 -46.81 61.24 Favored 'General case' 0 CA--C 1.509 -0.6 0 CA-C-O 121.155 0.502 . . . . 0.0 111.686 178.572 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.451 ' CD ' ' N ' ' A' ' 56' ' ' LYS . 0.1 OUTLIER -60.79 -41.7 96.09 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.279 -174.106 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.683 HG23 ' O ' ' A' ' 53' ' ' ALA . 89.6 t -60.99 -46.64 96.26 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.052 0 C-N-CA 119.663 -0.815 . . . . 0.0 109.67 -177.66 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.583 ' O ' ' N ' ' A' ' 62' ' ' ASP . 2.5 mtm -64.12 -39.21 93.55 Favored 'General case' 0 CA--C 1.505 -0.759 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 175.693 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.436 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP . 1.2 tppp? -60.81 -43.81 97.69 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.881 -175.495 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -61.77 -43.02 99.68 Favored 'General case' 0 C--O 1.248 0.996 0 N-CA-C 108.882 -0.785 . . . . 0.0 108.882 174.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.624 HD11 ' HB2' ' A' ' 77' ' ' LEU . 88.8 mt -64.39 -41.11 96.85 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.751 177.677 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.583 ' N ' ' O ' ' A' ' 58' ' ' MET . 59.0 m-20 -65.08 -38.37 90.54 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.74 -177.31 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -66.23 -36.47 83.11 Favored 'General case' 0 CA--C 1.52 -0.205 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 175.047 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.476 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . 3.9 m-20 -85.87 12.13 9.86 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 114.739 -1.119 . . . . 0.0 108.623 168.213 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.528 ' N ' ' O ' ' A' ' 61' ' ' LEU . . . -94.53 39.62 2.87 Favored Glycine 0 CA--C 1.496 -1.139 0 N-CA-C 110.688 -0.965 . . . . 0.0 110.688 -176.371 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -61.42 -37.83 84.93 Favored 'General case' 0 N--CA 1.44 -0.94 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 178.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -170.79 -57.44 0.04 OUTLIER Glycine 0 CA--C 1.525 0.67 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.334 176.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.514 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . 58.6 mt-10 -91.46 156.03 18.01 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 -176.328 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.848 HG11 ' HB2' ' A' ' 33' ' ' LEU . 2.1 p -129.04 127.61 66.17 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.113 0 N-CA-C 106.47 -1.678 . . . . 0.0 106.47 163.284 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.55 ' CG ' ' N ' ' A' ' 71' ' ' PHE . 12.1 t70 -92.97 176.44 6.42 Favored 'General case' 0 C--N 1.308 -1.223 0 C-N-CA 120.22 -0.592 . . . . 0.0 109.718 -179.266 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.694 ' O ' HG22 ' A' ' 75' ' ' VAL . 49.0 t80 -59.06 -41.22 87.4 Favored 'General case' 0 C--N 1.308 -1.212 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 179.013 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -55.87 -44.55 78.21 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.813 -1.085 . . . . 0.0 110.43 177.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.78 ' HB2' HG23 ' A' ' 69' ' ' VAL . 77.7 mt-10 -69.99 -40.68 75.18 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 121.494 0.664 . . . . 0.0 109.766 175.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.498 ' OH ' HD13 ' B' ' 4' ' ' LEU . 33.0 t80 -61.73 -48.03 82.56 Favored 'General case' 0 C--O 1.242 0.674 0 CA-C-N 115.568 -0.742 . . . . 0.0 112.021 -177.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.939 HG21 ' CB ' ' B' ' 79' ' ' ALA . 14.1 m -62.83 -41.61 93.19 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 C-N-CA 120.242 -0.583 . . . . 0.0 111.899 -177.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.489 HG12 ' O ' ' A' ' 73' ' ' GLU . 14.6 p -64.94 -38.32 82.47 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.64 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.686 179.53 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.856 HD22 HD11 ' A' ' 33' ' ' LEU . 49.0 tp -60.8 -49.04 79.08 Favored 'General case' 0 CA--C 1.507 -0.674 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.604 179.502 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.472 HG12 HD23 ' A' ' 37' ' ' LEU . 24.3 m -68.26 -43.91 84.3 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 C-N-CA 120.006 -0.678 . . . . 0.0 110.476 177.238 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.861 ' CB ' HG21 ' B' ' 75' ' ' VAL . . . -62.6 -46.66 87.27 Favored 'General case' 0 CA--C 1.51 -0.56 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.932 -178.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.404 ' HA ' HG12 ' A' ' 83' ' ' VAL . . . -58.09 -47.88 81.86 Favored 'General case' 0 CA--C 1.509 -0.603 0 CA-C-O 121.092 0.472 . . . . 0.0 110.156 -177.328 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' A' ' 81' ' ' LEU . 93.8 mt -63.17 -41.99 99.33 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.67 177.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.505 HG22 HG13 ' B' ' 12' ' ' ILE . 20.2 m -63.35 -52.6 61.1 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.001 179.063 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.442 HG22 ' ND2' ' A' ' 87' ' ' ASN . 11.3 p -63.57 -41.46 92.72 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.62 0 C-N-CA 120.351 -0.54 . . . . 0.0 110.371 -179.03 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -49.78 -59.56 3.72 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.942 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.543 ' O ' ' N ' ' A' ' 89' ' ' PHE . 89.9 mmm -66.94 -42.96 84.41 Favored 'General case' 0 CA--C 1.501 -0.938 0 N-CA-C 113.449 0.907 . . . . 0.0 113.449 175.509 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.428 ' O ' ' CD1' ' A' ' 90' ' ' TRP . 10.0 m120 -63.01 -44.69 95.27 Favored 'General case' 0 C--N 1.314 -0.935 0 C-N-CA 119.023 -1.071 . . . . 0.0 111.734 -175.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.442 ' ND2' HG22 ' A' ' 83' ' ' VAL . 90.1 m-20 -66.38 -41.88 88.76 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.328 0.585 . . . . 0.0 110.205 175.564 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -61.56 -43.42 98.89 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.669 176.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.543 ' N ' ' O ' ' A' ' 85' ' ' MET . 0.5 OUTLIER -46.59 -45.98 19.25 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.963 -173.205 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.541 ' NE1' ' CE1' ' B' ' 16' ' ' HIS . 43.4 m95 . . . . . 0 C--N 1.318 -0.772 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 -178.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 17.0 m . . . . . 0 N--CA 1.443 -0.785 0 CA-C-O 120.904 0.383 . . . . 0.0 110.376 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -47.32 -26.44 1.26 Allowed 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 174.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.851 HD22 HD23 ' A' ' 11' ' ' LEU . 58.0 mt -62.11 -42.84 99.63 Favored 'General case' 0 N--CA 1.435 -1.213 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.277 -179.389 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -63.0 -43.16 99.54 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 119.871 -0.732 . . . . 0.0 109.09 176.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . 0.424 ' O ' ' N ' ' B' ' 10' ' ' THR . 7.2 m -62.05 -46.91 87.07 Favored 'General case' 0 C--O 1.246 0.884 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.885 176.208 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.51 -47.68 83.32 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.96 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . 0.882 ' SD ' HD11 ' A' ' 11' ' ' LEU . 88.7 mmm -63.63 -41.63 98.24 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.553 179.015 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -65.41 -37.26 86.4 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 119.872 -0.731 . . . . 0.0 110.274 175.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.424 ' N ' ' O ' ' B' ' 6' ' ' THR . 14.3 m -59.48 -44.21 93.1 Favored 'General case' 0 C--O 1.238 0.467 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 176.26 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.59 HD23 ' CD1' ' A' ' 4' ' ' LEU . 85.2 mt -61.91 -41.84 98.38 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.417 176.107 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.505 HG13 HG22 ' A' ' 82' ' ' THR . 19.3 mm -62.52 -43.32 98.26 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.686 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 177.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -59.62 -44.09 93.58 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 -176.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.779 HG21 HD21 ' A' ' 4' ' ' LEU . 94.8 t -62.73 -48.76 86.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.615 175.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -60.89 -49.31 77.97 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.174 -179.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.681 ' CE1' ' HB3' ' B' ' 26' ' ' TYR . 1.9 m-70 -66.24 -38.79 88.71 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.309 178.762 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.17 -47.59 82.93 Favored 'General case' 0 CA--C 1.517 -0.322 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 176.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 77.7 m-70 -70.57 -31.56 68.63 Favored 'General case' 0 C--O 1.218 -0.586 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.32 175.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.487 ' HB3' ' HA ' ' B' ' 26' ' ' TYR . 24.2 m -52.93 -40.94 64.01 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 119.834 -0.746 . . . . 0.0 109.58 179.353 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -54.09 -24.41 28.11 Favored Glycine 0 CA--C 1.521 0.425 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 178.004 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 12.6 mmtp -62.47 -43.32 99.1 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 -178.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.47 ' OE1' ' HE3' ' B' ' 31' ' ' LYS . 28.4 tt0 -165.88 -68.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.124 0.487 . . . . 0.0 110.793 -175.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -34.58 89.71 0.01 OUTLIER Glycine 0 CA--C 1.522 0.509 0 CA-C-N 114.749 -1.114 . . . . 0.0 113.591 -171.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . 0.625 ' CG ' ' H ' ' B' ' 25' ' ' LYS . 41.8 t0 36.03 -158.83 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.409 0.684 . . . . 0.0 111.851 175.703 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.625 ' H ' ' CG ' ' B' ' 24' ' ' ASP . 27.5 pttt -62.91 -46.36 88.16 Favored 'General case' 0 CA--C 1.505 -0.775 0 C-N-CA 119.827 -0.749 . . . . 0.0 109.822 178.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.681 ' HB3' ' CE1' ' B' ' 16' ' ' HIS . 0.2 OUTLIER -145.47 93.6 2.39 Favored 'General case' 0 N--CA 1.441 -0.877 0 CA-C-N 115.606 -0.724 . . . . 0.0 111.181 170.117 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.453 ' O ' ' HA ' ' B' ' 19' ' ' SER . 5.3 mmmm -155.36 167.55 30.01 Favored 'General case' 0 C--N 1.309 -1.179 0 N-CA-C 106.95 -1.5 . . . . 0.0 106.95 175.276 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.508 ' HB3' HG13 ' B' ' 69' ' ' VAL . 48.8 tp -122.57 128.9 51.32 Favored 'General case' 0 C--N 1.307 -1.266 0 C-N-CA 119.788 -0.765 . . . . 0.0 110.377 -178.567 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 8.3 p -81.99 159.57 23.5 Favored 'General case' 0 C--O 1.238 0.492 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 176.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.437 ' NZ ' ' O ' ' B' ' 61' ' ' LEU . 10.3 mmmm -71.73 -7.61 49.17 Favored 'General case' 0 C--N 1.317 -0.821 0 C-N-CA 119.896 -0.722 . . . . 0.0 109.733 -176.775 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.47 ' HE3' ' OE1' ' B' ' 22' ' ' GLU . 69.2 mttt -68.83 -57.26 5.81 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 122.337 1.065 . . . . 0.0 108.95 -178.176 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.447 ' HB2' HD11 ' B' ' 28' ' ' LEU . 71.4 mm-40 -71.66 -36.95 70.84 Favored 'General case' 0 N--CA 1.422 -1.834 0 CA-C-N 113.362 -1.744 . . . . 0.0 110.153 -178.621 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.645 HD13 ' C ' ' B' ' 33' ' ' LEU . 3.1 tm? -58.57 -46.07 87.68 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.147 -174.427 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.463 ' NZ ' ' OD1' ' B' ' 62' ' ' ASP . 68.4 mttm -64.17 -43.36 95.4 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 119.759 -0.776 . . . . 0.0 110.108 178.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.4 ' HA ' HE21 ' B' ' 38' ' ' GLN . 65.3 mt-10 -70.05 -49.91 46.48 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.063 -178.311 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.48 ' O ' HD12 ' B' ' 36' ' ' LEU . 0.1 OUTLIER -64.08 -43.06 96.59 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 112.497 0.554 . . . . 0.0 112.497 -179.414 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.614 HD23 HG12 ' B' ' 78' ' ' VAL . 2.5 tm? -61.78 -45.43 93.92 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.257 -0.577 . . . . 0.0 110.24 -177.059 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.408 ' HG2' ' O ' ' B' ' 34' ' ' LYS . 27.8 pt20 -68.49 -39.39 81.35 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 120.161 -0.616 . . . . 0.0 110.995 175.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 97.6 m -62.15 -49.6 75.21 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.212 -177.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -82.63 -42.3 18.37 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.603 0.594 . . . . 0.0 112.603 -170.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.597 HD22 HD21 ' B' ' 37' ' ' LEU . 11.0 mp -88.18 44.08 1.17 Allowed 'General case' 0 CA--C 1.514 -0.427 0 CA-C-O 121.045 0.45 . . . . 0.0 110.517 -178.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -55.69 -39.04 70.45 Favored 'General case' 0 C--N 1.308 -1.236 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.687 -176.286 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.42 -49.58 43.98 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.565 -0.614 . . . . 0.0 111.565 179.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.544 ' CZ ' HG23 ' B' ' 82' ' ' THR . 60.8 m-85 -68.1 -40.51 82.57 Favored 'General case' 0 CA--C 1.499 -1.017 0 CA-C-O 121.17 0.51 . . . . 0.0 110.11 177.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.408 HD22 ' HA ' ' B' ' 38' ' ' GLN . 19.4 tp -57.86 -48.24 80.39 Favored 'General case' 0 CA--C 1.498 -1.044 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.342 176.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.594 ' HA ' ' NZ ' ' B' ' 49' ' ' LYS . 32.8 t70 -70.65 -34.21 71.8 Favored 'General case' 0 C--N 1.301 -1.53 0 C-N-CA 120.225 -0.59 . . . . 0.0 111.76 176.496 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . 0.497 ' HB1' ' SD ' ' B' ' 85' ' ' MET . . . -62.9 -38.32 90.46 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.439 -179.332 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.505 ' HG3' ' O ' ' B' ' 44' ' ' PHE . 0.0 OUTLIER -119.86 55.71 0.97 Allowed 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 -177.944 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.594 ' NZ ' ' HA ' ' B' ' 46' ' ' ASP . 39.2 mttp -66.61 -43.36 85.02 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.113 -0.635 . . . . 0.0 111.436 171.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 39.1 p-10 -94.07 4.22 54.2 Favored 'General case' 0 CA--C 1.509 -0.619 0 CA-C-N 115.432 -0.804 . . . . 0.0 112.369 -171.114 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . 0.704 ' O ' HG12 ' B' ' 54' ' ' VAL . 16.5 t -85.14 122.04 37.76 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.89 0 C-N-CA 119.862 -0.735 . . . . 0.0 109.096 177.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -59.17 -35.06 72.87 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-O 121.334 0.588 . . . . 0.0 110.237 -177.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.459 ' O ' HG23 ' B' ' 57' ' ' VAL . . . -54.75 -28.79 51.14 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.197 -0.91 . . . . 0.0 111.816 -177.687 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.704 HG12 ' O ' ' B' ' 51' ' ' VAL . 8.5 p -59.63 -46.84 92.84 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 C-N-CA 119.307 -0.957 . . . . 0.0 109.961 -178.379 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.571 ' O ' ' N ' ' B' ' 59' ' ' LYS . 10.6 t70 -59.38 -49.71 76.76 Favored 'General case' 0 CA--C 1.5 -0.973 0 C-N-CA 120.641 -0.424 . . . . 0.0 110.612 176.128 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . 0.479 ' HD2' ' N ' ' B' ' 56' ' ' LYS . 3.6 mptp? -63.5 -42.77 98.49 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-N 115.483 -0.78 . . . . 0.0 112.316 -174.713 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.682 HG12 HD12 ' B' ' 77' ' ' LEU . 64.4 t -63.44 -44.16 98.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 174.239 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . 0.435 ' CG ' ' O ' ' B' ' 54' ' ' VAL . 11.0 mmm -62.53 -40.11 95.74 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.44 176.109 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . 0.571 ' N ' ' O ' ' B' ' 55' ' ' ASP . 2.5 tppm? -62.19 -42.0 98.87 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.401 -175.693 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -64.81 -37.38 87.41 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.193 176.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.61 ' HG ' HD22 ' B' ' 77' ' ' LEU . 1.3 mm? -62.26 -39.34 92.59 Favored 'General case' 0 C--N 1.309 -1.163 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 171.702 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.463 ' OD1' ' NZ ' ' B' ' 34' ' ' LYS . 56.0 m-20 -62.17 -38.02 87.48 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.907 174.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . 0.562 ' C ' ' H ' ' B' ' 65' ' ' GLY . 45.6 mt-10 -60.93 -40.4 93.1 Favored 'General case' 0 CA--C 1.501 -0.914 0 N-CA-C 107.872 -1.159 . . . . 0.0 107.872 175.297 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . 0.549 HD21 ' CD ' ' B' ' 73' ' ' GLU . 9.3 t-20 -74.79 37.14 0.11 Allowed 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 114.789 -1.096 . . . . 0.0 109.684 171.73 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . 0.562 ' H ' ' C ' ' B' ' 63' ' ' GLU . . . -105.82 19.17 39.09 Favored Glycine 0 CA--C 1.509 -0.341 0 N-CA-C 108.695 -1.762 . . . . 0.0 108.695 178.136 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -61.9 -37.76 85.82 Favored 'General case' 0 CA--C 1.512 -0.497 0 CA-C-N 115.117 -0.542 . . . . 0.0 109.977 -179.189 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -156.76 -65.14 0.01 OUTLIER Glycine 0 C--N 1.317 -0.502 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.437 179.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 79.6 mt-10 -138.71 165.53 26.73 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 122.897 0.479 . . . . 0.0 109.736 -175.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.508 HG13 ' HB3' ' B' ' 28' ' ' LEU . 2.2 p -118.56 131.28 71.81 Favored 'Isoleucine or valine' 0 C--O 1.241 0.634 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 173.239 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.421 ' CG ' ' N ' ' B' ' 71' ' ' PHE . 0.0 OUTLIER -92.45 175.93 6.65 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.773 0.32 . . . . 0.0 111.099 -174.188 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.457 ' CD1' HD13 ' B' ' 12' ' ' ILE . 54.8 t80 -61.98 -46.17 90.41 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.003 0.43 . . . . 0.0 110.572 -178.342 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -60.62 -40.06 90.52 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.042 177.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.549 ' CD ' HD21 ' B' ' 64' ' ' ASN . 95.6 mt-10 -67.3 -42.33 83.91 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.057 174.053 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -62.42 -49.32 75.93 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.424 0.528 . . . . 0.0 112.424 177.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.861 HG21 ' CB ' ' A' ' 79' ' ' ALA . 34.6 m -64.83 -38.28 82.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 C-N-CA 119.669 -0.813 . . . . 0.0 112.318 -176.651 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.466 HG12 ' O ' ' B' ' 73' ' ' GLU . 13.0 p -64.0 -36.69 77.64 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 C-N-CA 119.71 -0.796 . . . . 0.0 110.347 -178.249 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.682 HD12 HG12 ' B' ' 57' ' ' VAL . 49.6 tp -60.19 -49.11 78.91 Favored 'General case' 0 CA--C 1.507 -0.675 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.38 179.207 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.614 HG12 HD23 ' B' ' 37' ' ' LEU . 14.1 m -69.63 -43.24 80.44 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.048 0 C-N-CA 120.148 -0.621 . . . . 0.0 110.397 176.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.939 ' CB ' HG21 ' A' ' 75' ' ' VAL . . . -60.01 -48.55 81.25 Favored 'General case' 0 CA--C 1.514 -0.416 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.856 -179.692 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.62 -46.24 84.36 Favored 'General case' 0 CA--C 1.51 -0.584 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -178.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.438 ' O ' ' HB2' ' B' ' 85' ' ' MET . 93.7 mt -64.06 -43.11 96.48 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.512 176.373 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.544 HG23 ' CZ ' ' B' ' 44' ' ' PHE . 21.2 m -62.17 -50.45 71.8 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.571 -178.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.444 HG13 ' N ' ' B' ' 84' ' ' ALA . 13.6 p -62.22 -46.48 96.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.469 -176.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . 0.444 ' N ' HG13 ' B' ' 83' ' ' VAL . . . -62.83 -51.6 66.41 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.607 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 85' ' ' MET . . . . . 0.497 ' SD ' ' HB1' ' B' ' 47' ' ' ALA . 2.4 tmm? -65.64 -45.82 81.58 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.499 179.702 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.464 ' ND2' HG21 ' A' ' 12' ' ' ILE . 17.5 t30 -66.99 -45.92 76.17 Favored 'General case' 0 CA--C 1.513 -0.466 0 C-N-CA 120.031 -0.668 . . . . 0.0 112.652 -176.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -64.15 -39.76 94.69 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 120.396 -0.521 . . . . 0.0 109.868 -178.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -51.78 -24.43 5.94 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.151 -179.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . 0.41 ' HB2' ' O ' ' B' ' 86' ' ' ASN . 14.0 m-85 . . . . . 0 CA--C 1.511 -0.536 0 C-N-CA 120.678 -0.409 . . . . 0.0 111.856 -179.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 m . . . . . 0 C--O 1.238 0.45 0 CA-C-O 120.908 0.385 . . . . 0.0 110.813 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.455 ' H ' ' CD ' ' A' ' 3' ' ' GLU . 2.0 mp0 -52.14 -31.49 31.28 Favored 'General case' 0 CA--C 1.511 -0.526 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 -179.529 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.729 HD21 HG21 ' B' ' 14' ' ' VAL . 1.4 mm? -61.17 -43.48 98.82 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.166 -177.392 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 -65.44 -43.32 90.79 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 119.477 -0.889 . . . . 0.0 109.709 178.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.469 ' O ' ' N ' ' A' ' 10' ' ' THR . 19.1 m -62.51 -46.66 87.39 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.766 174.357 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 3' ' ' GLU . . . -56.19 -48.93 75.43 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.194 -179.61 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.748 ' SD ' HD11 ' B' ' 11' ' ' LEU . 97.3 mmm -64.47 -41.67 96.37 Favored 'General case' 0 CA--C 1.516 -0.348 0 C-N-CA 120.343 -0.543 . . . . 0.0 110.669 177.489 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -65.53 -34.32 77.99 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.078 -0.649 . . . . 0.0 111.434 176.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.469 ' N ' ' O ' ' A' ' 6' ' ' THR . 11.5 m -57.47 -44.32 84.75 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 176.387 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.948 HD23 HD22 ' B' ' 4' ' ' LEU . 87.7 mt -62.97 -40.36 97.5 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.663 174.635 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.58 HD13 ' CD1' ' A' ' 71' ' ' PHE . 22.7 mm -62.57 -43.69 98.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 178.575 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -60.53 -47.28 86.87 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.028 -177.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.55 HG11 HD11 ' B' ' 4' ' ' LEU . 28.4 m -66.45 -39.97 85.37 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.668 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.425 176.397 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.457 ' CE1' ' HB2' ' A' ' 28' ' ' LEU . 73.1 t80 -59.13 -47.89 83.62 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.675 176.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.532 ' CD2' HG22 ' A' ' 12' ' ' ILE . 21.5 m-70 -64.66 -40.02 94.7 Favored 'General case' 0 C--O 1.238 0.465 0 C-N-CA 120.57 -0.452 . . . . 0.0 109.896 177.609 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.567 ' O ' ' NZ ' ' A' ' 21' ' ' LYS . . . -57.37 -50.48 72.84 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.529 179.188 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.402 ' NE2' ' HB2' ' A' ' 36' ' ' LEU . 83.1 m-70 -72.71 -36.04 67.73 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.866 178.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 70.5 m -57.26 -41.02 78.87 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.347 -0.541 . . . . 0.0 109.787 178.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.75 -5.54 13.76 Favored Glycine 0 CA--C 1.526 0.748 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.081 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.567 ' NZ ' ' O ' ' A' ' 17' ' ' ALA . 48.4 mmtm -95.86 -82.4 0.39 Allowed 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 117.221 0.511 . . . . 0.0 111.604 -177.453 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.411 ' HG3' ' HD2' ' A' ' 31' ' ' LYS . 77.4 mm-40 -95.18 -17.17 21.99 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.806 -176.313 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -87.64 -175.04 48.44 Favored Glycine 0 C--N 1.314 -0.642 0 N-CA-C 111.683 -0.567 . . . . 0.0 111.683 -174.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.495 ' CG ' ' H ' ' A' ' 25' ' ' LYS . 51.7 t0 -82.54 -154.9 0.14 Allowed 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 107.478 -1.305 . . . . 0.0 107.478 176.504 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.495 ' H ' ' CG ' ' A' ' 24' ' ' ASP . 0.0 OUTLIER -56.43 -47.57 78.8 Favored 'General case' 0 CA--C 1.503 -0.835 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 175.784 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.479 ' CE2' ' HD3' ' A' ' 25' ' ' LYS . 1.5 p90 -138.85 93.92 2.76 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.386 174.36 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.488 ' NZ ' ' HB3' ' A' ' 70' ' ' ASP . 3.1 mmtt -163.63 157.15 19.01 Favored 'General case' 0 CA--C 1.503 -0.845 0 CA-C-N 114.91 -1.041 . . . . 0.0 109.45 173.148 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.463 ' O ' HG13 ' A' ' 69' ' ' VAL . 33.1 tp -122.75 125.1 44.84 Favored 'General case' 0 N--CA 1.437 -1.079 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 175.738 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.5 p -83.91 164.76 19.22 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.131 178.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.566 ' NZ ' ' OD1' ' A' ' 64' ' ' ASN . 0.4 OUTLIER -70.68 -6.45 37.25 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 120.312 -0.555 . . . . 0.0 110.562 -177.425 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.462 ' H ' ' HG3' ' A' ' 31' ' ' LYS . 35.4 mttt -77.86 -60.25 2.45 Favored 'General case' 0 CA--C 1.501 -0.911 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 178.619 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.426 ' O ' ' HB3' ' A' ' 36' ' ' LEU . 80.4 mm-40 -61.77 -39.39 91.47 Favored 'General case' 0 N--CA 1.431 -1.398 0 CA-C-N 113.801 -1.545 . . . . 0.0 109.342 179.245 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.769 HD11 HD22 ' A' ' 77' ' ' LEU . 3.0 tm? -60.02 -47.95 83.71 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.555 -176.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.2 pttp -73.05 -44.5 60.65 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 119.317 -0.953 . . . . 0.0 110.799 178.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -61.52 -54.35 44.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.453 -179.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.46 ' HG ' ' N ' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -64.36 -43.65 93.86 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 178.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.752 HD21 HD22 ' A' ' 41' ' ' LEU . 3.1 tm? -61.51 -48.51 80.71 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.208 -0.597 . . . . 0.0 111.091 -176.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.511 ' HB2' ' CD2' ' A' ' 45' ' ' LEU . 14.1 pt20 -67.07 -41.13 86.95 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 119.767 -0.773 . . . . 0.0 110.439 178.172 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 98.6 m -63.47 -53.43 52.17 Favored 'General case' 0 N--CA 1.441 -0.903 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.308 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.778 ' HB3' HD12 ' B' ' 4' ' ' LEU . 76.7 mm-40 -75.34 -40.94 57.72 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 -173.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.752 HD22 HD21 ' A' ' 37' ' ' LEU . 11.2 mp -94.86 31.48 1.83 Allowed 'General case' 0 CA--C 1.505 -0.784 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 179.148 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.0 -33.81 67.52 Favored 'General case' 0 N--CA 1.434 -1.264 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.267 -177.286 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -63.83 -48.86 72.54 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 176.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.456 ' O ' ' NE2' ' A' ' 48' ' ' GLN . 52.0 m-85 -66.93 -45.52 77.6 Favored 'General case' 0 CA--C 1.492 -1.275 0 CA-C-O 121.687 0.756 . . . . 0.0 109.296 176.647 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.522 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 47.1 tp -61.47 -48.37 81.43 Favored 'General case' 0 N--CA 1.425 -1.708 0 CA-C-N 114.902 -1.045 . . . . 0.0 111.234 -177.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -63.59 -39.28 93.98 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.924 0.392 . . . . 0.0 110.837 176.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.443 ' HB3' ' SD ' ' A' ' 85' ' ' MET . . . -62.49 -40.22 95.99 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.839 -0.619 . . . . 0.0 112.297 -176.202 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.456 ' NE2' ' O ' ' A' ' 44' ' ' PHE . 0.9 OUTLIER -129.58 43.5 3.12 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 114.463 1.283 . . . . 0.0 114.463 -174.831 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.522 ' HG3' ' O ' ' A' ' 45' ' ' LEU . 54.1 mtmt -62.96 -40.12 96.74 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 119.271 -0.971 . . . . 0.0 109.496 172.684 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -65.79 -18.33 65.26 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.968 -1.014 . . . . 0.0 111.189 -177.081 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.431 ' C ' ' H ' ' A' ' 53' ' ' ALA . 75.6 t -67.71 -19.12 24.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 120.766 0.317 . . . . 0.0 110.44 -178.725 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 25.4 t70 66.6 -43.66 0.42 Allowed 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.565 -179.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.692 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -52.64 -28.16 20.25 Favored 'General case' 0 CA--C 1.514 -0.422 0 N-CA-C 110.124 -0.325 . . . . 0.0 110.124 179.659 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.538 ' O ' ' HG2' ' A' ' 58' ' ' MET . 7.4 p -58.46 -46.93 89.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.865 177.757 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.499 ' O ' ' N ' ' A' ' 59' ' ' LYS . 30.8 t70 -61.36 -41.38 96.97 Favored 'General case' 0 CA--C 1.505 -0.785 0 CA-C-O 121.708 0.766 . . . . 0.0 109.099 174.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 30.7 mmtp -65.06 -40.91 95.4 Favored 'General case' 0 C--N 1.308 -1.209 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.358 -175.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.692 HG23 ' O ' ' A' ' 53' ' ' ALA . 55.7 t -61.24 -42.55 93.9 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 173.274 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.538 ' HG2' ' O ' ' A' ' 54' ' ' VAL . 74.2 mmm -60.39 -39.48 87.44 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 174.166 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 55' ' ' ASP . 47.0 tptt -63.34 -40.77 98.19 Favored 'General case' 0 N--CA 1.441 -0.902 0 CA-C-N 115.285 -0.871 . . . . 0.0 109.728 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -57.13 -40.76 77.79 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 177.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.72 ' HG ' HD22 ' A' ' 77' ' ' LEU . 1.3 mm? -64.72 -38.7 91.9 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.666 171.039 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.432 ' HB3' ' HD2' ' A' ' 59' ' ' LYS . 19.1 t70 -63.73 -37.4 87.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.486 178.441 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 59' ' ' LYS . 79.9 mm-40 -58.95 -35.94 73.97 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 106.459 -1.682 . . . . 0.0 106.459 175.187 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.566 ' OD1' ' NZ ' ' A' ' 30' ' ' LYS . 14.8 t-20 -84.03 9.9 11.3 Favored 'General case' 0 C--N 1.307 -1.246 0 CA-C-N 113.789 -1.551 . . . . 0.0 109.453 176.759 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.443 ' HA2' ' HG3' ' A' ' 30' ' ' LYS . . . -76.46 -3.36 77.51 Favored Glycine 0 C--O 1.239 0.418 0 N-CA-C 110.658 -0.977 . . . . 0.0 110.658 -178.759 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -61.37 -39.23 89.88 Favored 'General case' 0 CA--C 1.512 -0.485 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -134.57 -136.33 3.63 Favored Glycine 0 C--O 1.241 0.532 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 179.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -108.04 168.76 9.06 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.479 0.657 . . . . 0.0 112.417 -177.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.926 HG23 ' HB2' ' A' ' 73' ' ' GLU . 0.2 OUTLIER -120.32 135.69 59.77 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.976 0 CA-C-N 114.887 -1.051 . . . . 0.0 109.449 179.206 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.488 ' HB3' ' NZ ' ' A' ' 27' ' ' LYS . 3.3 p30 -105.48 -162.5 0.88 Allowed 'General case' 0 CA--C 1.502 -0.888 0 C-N-CA 120.036 -0.665 . . . . 0.0 110.132 175.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.58 ' CD1' HD13 ' A' ' 12' ' ' ILE . 46.9 t80 -59.77 -43.72 94.22 Favored 'General case' 0 C--N 1.297 -1.714 0 C-N-CA 120.175 -0.61 . . . . 0.0 109.457 -175.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.436 ' HG3' HG11 ' B' ' 83' ' ' VAL . 79.2 mt-30 -60.9 -47.85 84.51 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.143 179.08 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.926 ' HB2' HG23 ' A' ' 69' ' ' VAL . 52.1 mp0 -67.64 -36.57 81.02 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 119.003 -1.079 . . . . 0.0 110.054 176.236 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -62.54 -49.2 76.27 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 112.554 0.576 . . . . 0.0 112.554 178.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.796 HG21 ' CB ' ' B' ' 79' ' ' ALA . 24.3 m -64.81 -38.76 83.55 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 -176.162 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.438 HG23 ' CG ' ' B' ' 72' ' ' GLN . 10.0 p -63.22 -36.84 77.65 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.697 0 C-N-CA 120.032 -0.667 . . . . 0.0 110.665 -178.363 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.769 HD22 HD11 ' A' ' 33' ' ' LEU . 52.0 tp -61.45 -49.52 76.48 Favored 'General case' 0 CA--C 1.513 -0.453 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.892 179.704 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.659 HG12 HD23 ' A' ' 37' ' ' LEU . 11.2 m -68.67 -42.73 83.36 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.864 0 C-N-CA 119.944 -0.702 . . . . 0.0 110.335 178.261 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.773 ' CB ' HG21 ' B' ' 75' ' ' VAL . . . -61.55 -48.23 81.95 Favored 'General case' 0 CA--C 1.507 -0.71 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.567 179.625 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.06 -47.68 77.5 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-O 121.221 0.534 . . . . 0.0 109.6 -178.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.409 HD22 HG23 ' A' ' 54' ' ' VAL . 97.8 mt -63.28 -42.58 99.11 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.808 176.558 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.513 HG21 ' HB3' ' B' ' 8' ' ' MET . 19.9 m -63.34 -51.56 65.45 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 120.601 -0.44 . . . . 0.0 110.546 -179.207 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.679 HG12 ' O ' ' A' ' 79' ' ' ALA . 6.7 p -63.81 -43.66 97.95 Favored 'Isoleucine or valine' 0 C--O 1.237 0.447 0 C-N-CA 120.116 -0.634 . . . . 0.0 111.202 178.648 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.02 -53.75 54.55 Favored 'General case' 0 N--CA 1.446 -0.639 0 C-N-CA 120.187 -0.605 . . . . 0.0 110.632 178.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.462 ' O ' ' HB3' ' A' ' 88' ' ' PHE . 18.4 ttp -70.0 -40.63 75.18 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 119.669 -0.812 . . . . 0.0 111.14 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.633 ' CG ' HG21 ' B' ' 12' ' ' ILE . 5.4 t-20 -62.7 -40.84 98.41 Favored 'General case' 0 CA--C 1.512 -0.512 0 C-N-CA 120.222 -0.591 . . . . 0.0 110.781 -177.631 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -59.83 -33.69 72.1 Favored 'General case' 0 CA--C 1.511 -0.528 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.75 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.462 ' HB3' ' O ' ' A' ' 85' ' ' MET . 57.9 t80 -53.52 -45.2 69.68 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.49 177.747 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -59.42 -46.65 88.13 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.009 179.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.402 ' NE1' ' OD1' ' A' ' 86' ' ' ASN . 37.8 m95 . . . . . 0 C--N 1.311 -1.07 0 CA-C-O 120.623 0.249 . . . . 0.0 111.478 -178.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 58.9 m . . . . . 0 N--CA 1.451 -0.416 0 N-CA-C 111.81 0.3 . . . . 0.0 111.81 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . 0.497 ' H ' ' CD ' ' B' ' 3' ' ' GLU . 45.7 mp0 -54.29 -27.23 34.01 Favored 'General case' 0 CA--C 1.51 -0.573 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 175.279 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.948 HD22 HD23 ' A' ' 11' ' ' LEU . 95.4 mt -61.13 -40.49 94.02 Favored 'General case' 0 N--CA 1.434 -1.244 0 CA-C-N 114.278 -1.328 . . . . 0.0 109.083 -177.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -63.38 -43.45 97.58 Favored 'General case' 0 N--CA 1.443 -0.795 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 177.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 7.6 m -62.5 -46.54 87.96 Favored 'General case' 0 C--O 1.24 0.597 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 175.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.81 -48.73 74.89 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.115 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . 0.794 ' SD ' HD11 ' A' ' 11' ' ' LEU . 93.7 mmm -64.32 -42.45 96.31 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.918 179.389 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -65.93 -35.08 79.64 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 119.917 -0.713 . . . . 0.0 110.871 176.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 18.8 m -57.7 -44.45 85.87 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 178.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.748 HD11 ' SD ' ' A' ' 8' ' ' MET . 76.8 mt -62.34 -41.84 98.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.431 174.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.701 HD13 ' CD1' ' B' ' 71' ' ' PHE . 16.1 mm -62.8 -44.27 99.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 56.6 m-80 -61.6 -41.89 98.09 Favored 'General case' 0 CA--C 1.51 -0.581 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 -178.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.729 HG21 HD21 ' A' ' 4' ' ' LEU . 54.1 t -64.75 -44.56 96.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.883 174.058 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.455 ' CE1' ' HB2' ' B' ' 28' ' ' LEU . 77.1 t80 -58.32 -48.29 80.99 Favored 'General case' 0 N--CA 1.446 -0.648 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 179.249 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.69 ' CD2' HG22 ' B' ' 12' ' ' ILE . 46.5 m-70 -60.93 -41.84 97.02 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.601 176.561 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.501 ' O ' ' NZ ' ' B' ' 21' ' ' LYS . . . -53.93 -45.49 71.22 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.025 -178.577 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.414 ' CD2' HD13 ' B' ' 36' ' ' LEU . 90.5 m-70 -75.46 -36.03 60.77 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.644 176.567 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 69.8 m -57.37 -41.6 80.5 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 120.39 -0.524 . . . . 0.0 109.631 179.052 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.11 -21.94 54.3 Favored Glycine 0 CA--C 1.527 0.802 0 N-CA-C 111.139 -0.785 . . . . 0.0 111.139 177.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . 0.501 ' NZ ' ' O ' ' B' ' 17' ' ' ALA . 47.9 mmtm -79.66 -75.81 0.24 Allowed 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 -176.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 53.9 mm-40 -116.58 -3.76 11.78 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 -176.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -90.34 165.03 31.08 Favored Glycine 0 CA--C 1.526 0.757 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.67 -174.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . 0.498 ' H ' ' HB2' ' B' ' 27' ' ' LYS . 24.1 t0 -86.86 122.27 30.5 Favored 'General case' 0 CA--C 1.519 -0.233 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 175.543 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.501 ' HD2' ' CE1' ' B' ' 26' ' ' TYR . 7.2 pttm 35.26 -94.27 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.76 0 O-C-N 123.21 0.319 . . . . 0.0 110.544 -175.406 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.501 ' CE1' ' HD2' ' B' ' 25' ' ' LYS . 2.4 p90 -110.03 92.66 4.13 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 171.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.498 ' HB2' ' H ' ' B' ' 24' ' ' ASP . 9.6 mmmm -157.97 159.19 36.21 Favored 'General case' 0 C--N 1.309 -1.163 0 N-CA-C 108.32 -0.992 . . . . 0.0 108.32 176.517 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.455 ' HB2' ' CE1' ' B' ' 15' ' ' PHE . 43.0 tp -124.49 127.38 47.38 Favored 'General case' 0 C--N 1.307 -1.243 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.005 178.353 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.89 158.4 20.6 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 177.622 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.471 ' NZ ' ' O ' ' B' ' 61' ' ' LEU . 12.2 mmmm -71.31 -8.95 57.09 Favored 'General case' 0 CA--C 1.515 -0.385 0 C-N-CA 119.582 -0.847 . . . . 0.0 109.56 -179.339 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.479 ' O ' ' HG2' ' B' ' 35' ' ' GLU . 58.9 mttt -68.66 -52.47 30.79 Favored 'General case' 0 CA--C 1.498 -1.048 0 N-CA-C 107.489 -1.3 . . . . 0.0 107.489 177.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -73.58 -41.66 62.6 Favored 'General case' 0 N--CA 1.434 -1.225 0 CA-C-N 112.864 -1.971 . . . . 0.0 111.063 -177.34 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.708 HD11 ' CD2' ' B' ' 77' ' ' LEU . 2.7 tm? -59.51 -44.52 93.12 Favored 'General case' 0 CA--C 1.513 -0.478 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.848 -172.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.516 ' HG3' ' N ' ' B' ' 35' ' ' GLU . 16.6 pttp -62.45 -45.2 94.13 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 119.143 -1.023 . . . . 0.0 110.199 177.577 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.516 ' N ' ' HG3' ' B' ' 34' ' ' LYS . 66.6 mm-40 -63.81 -47.64 80.02 Favored 'General case' 0 CA--C 1.507 -0.709 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.677 HD21 ' CE1' ' B' ' 74' ' ' TYR . 18.2 tp -59.73 -49.78 76.4 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-N 114.414 -1.266 . . . . 0.0 111.731 178.303 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.664 HD22 ' O ' ' B' ' 37' ' ' LEU . 1.4 tm? -64.34 -47.02 80.97 Favored 'General case' 0 C--N 1.309 -1.186 0 C-N-CA 120.577 -0.449 . . . . 0.0 111.131 -177.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.406 ' HG2' ' O ' ' B' ' 34' ' ' LYS . 12.5 pt20 -69.15 -42.9 75.35 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 119.475 -0.89 . . . . 0.0 110.954 177.06 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.465 ' CB ' ' O ' ' B' ' 35' ' ' GLU . 81.2 m -63.93 -50.89 66.9 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.175 -178.086 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.463 ' OE1' HD23 ' A' ' 4' ' ' LEU . 75.5 mm-40 -85.17 -25.17 27.57 Favored 'General case' 0 CA--C 1.516 -0.354 0 N-CA-C 113.523 0.934 . . . . 0.0 113.523 -172.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.477 ' HB2' HD22 ' B' ' 37' ' ' LEU . 7.6 mp -109.89 30.48 6.66 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 120.624 0.25 . . . . 0.0 110.499 176.156 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 32.5 m -51.44 -39.35 57.19 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.73 0.3 . . . . 0.0 110.398 -177.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -63.98 -49.53 66.83 Favored Glycine 0 N--CA 1.446 -0.674 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 178.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.609 ' HA ' ' SD ' ' B' ' 85' ' ' MET . 45.9 m-85 -64.77 -44.91 88.49 Favored 'General case' 0 CA--C 1.495 -1.156 0 CA-C-O 121.366 0.603 . . . . 0.0 110.294 178.423 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.449 ' O ' HD12 ' B' ' 45' ' ' LEU . 11.2 tp -61.32 -47.51 85.58 Favored 'General case' 0 C--N 1.306 -1.286 0 CA-C-N 114.969 -1.014 . . . . 0.0 111.498 178.414 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -71.31 -40.35 70.87 Favored 'General case' 0 C--N 1.305 -1.335 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.314 -178.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . 0.891 ' HB3' ' SD ' ' B' ' 85' ' ' MET . . . -61.22 -41.79 97.47 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.669 -0.412 . . . . 0.0 110.87 -179.069 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.412 ' NE2' ' HB ' ' B' ' 54' ' ' VAL . 0.0 OUTLIER -120.31 42.34 2.99 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 121.088 0.471 . . . . 0.0 111.373 178.908 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.412 ' NZ ' ' OD1' ' B' ' 50' ' ' ASP . 0.0 OUTLIER -61.71 -40.91 96.71 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.755 177.158 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . 0.412 ' OD1' ' NZ ' ' B' ' 49' ' ' LYS . 71.2 m-20 -81.25 -2.91 50.67 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 114.83 -1.077 . . . . 0.0 111.014 -172.352 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 57.8 t -86.04 131.05 35.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 -179.049 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -57.29 -40.22 77.34 Favored 'General case' 0 CA--C 1.508 -0.666 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.055 -177.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.28 -25.45 9.47 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.139 -178.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.429 ' CG1' ' N ' ' B' ' 55' ' ' ASP . 0.8 OUTLIER -60.15 -47.44 92.01 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 C-N-CA 120.25 -0.58 . . . . 0.0 110.076 179.348 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.563 ' O ' ' N ' ' B' ' 59' ' ' LYS . 32.8 t70 -63.61 -41.4 98.32 Favored 'General case' 0 CA--C 1.499 -0.987 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 174.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . 0.436 ' O ' ' HG3' ' B' ' 60' ' ' GLU . 18.6 mmtp -64.38 -44.25 91.92 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.82 -172.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 1.067 HG12 HD12 ' B' ' 77' ' ' LEU . 90.0 t -63.56 -42.79 97.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 174.222 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . 0.495 ' SD ' HD12 ' B' ' 37' ' ' LEU . 76.4 mmm -61.8 -40.55 95.61 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.219 -0.901 . . . . 0.0 108.835 177.176 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . 0.563 ' N ' ' O ' ' B' ' 55' ' ' ASP . 0.0 OUTLIER -63.07 -42.46 99.67 Favored 'General case' 0 N--CA 1.436 -1.175 0 CA-C-N 114.886 -1.052 . . . . 0.0 110.19 -177.867 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . 0.436 ' HG3' ' O ' ' B' ' 56' ' ' LYS . 90.0 mt-10 -56.9 -44.17 82.07 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.576 ' HG ' HD22 ' B' ' 77' ' ' LEU . 3.1 mm? -64.05 -38.44 91.09 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.53 170.703 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.434 ' OD2' ' NZ ' ' B' ' 59' ' ' LYS . 34.8 t70 -62.32 -40.83 97.61 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.336 177.224 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . 0.532 ' HG2' ' O ' ' B' ' 59' ' ' LYS . 56.1 mm-40 -60.87 -40.73 94.1 Favored 'General case' 0 CA--C 1.513 -0.471 0 N-CA-C 106.632 -1.618 . . . . 0.0 106.632 176.113 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . 0.584 HD22 ' CD ' ' B' ' 73' ' ' GLU . 21.3 t-20 -80.87 35.01 0.36 Allowed 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 114.453 -1.248 . . . . 0.0 109.859 174.502 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . 0.415 ' H ' ' C ' ' B' ' 63' ' ' GLU . . . -96.29 18.32 57.68 Favored Glycine 0 N--CA 1.461 0.327 0 N-CA-C 109.392 -1.483 . . . . 0.0 109.392 178.055 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -61.53 -38.93 89.21 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 123.198 0.599 . . . . 0.0 110.862 -177.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -157.31 -82.49 0.04 OUTLIER Glycine 0 C--N 1.316 -0.533 0 N-CA-C 110.733 -0.947 . . . . 0.0 110.733 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -128.44 167.87 16.42 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 120.972 0.415 . . . . 0.0 110.703 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.847 HG23 ' HB3' ' B' ' 73' ' ' GLU . 0.2 OUTLIER -117.86 132.73 66.82 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.291 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 176.2 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -92.05 177.3 6.21 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.48 -175.238 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.701 ' CD1' HD13 ' B' ' 12' ' ' ILE . 82.4 t80 -60.87 -45.23 95.39 Favored 'General case' 0 C--N 1.32 -0.717 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.613 -178.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.438 ' CG ' HG23 ' A' ' 76' ' ' VAL . 38.7 tt0 -60.74 -40.64 93.16 Favored 'General case' 0 N--CA 1.436 -1.148 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 -178.59 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.847 ' HB3' HG23 ' B' ' 69' ' ' VAL . 24.6 tp10 -66.41 -39.73 89.17 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.388 -0.823 . . . . 0.0 109.626 176.004 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . 0.677 ' CE1' HD21 ' B' ' 36' ' ' LEU . 22.9 t80 -60.45 -47.82 84.46 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.883 179.319 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.773 HG21 ' CB ' ' A' ' 79' ' ' ALA . 28.9 m -63.39 -41.18 91.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 C-N-CA 119.97 -0.692 . . . . 0.0 112.103 -177.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.467 HG12 ' O ' ' B' ' 73' ' ' GLU . 8.7 p -63.98 -38.83 83.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 C-N-CA 120.567 -0.453 . . . . 0.0 111.378 -176.507 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 1.067 HD12 HG12 ' B' ' 57' ' ' VAL . 38.6 tp -60.45 -49.95 75.53 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-O 121.247 0.546 . . . . 0.0 109.572 178.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.522 HG12 HD23 ' B' ' 37' ' ' LEU . 16.7 m -71.28 -41.62 74.48 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.917 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.05 178.159 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.796 ' CB ' HG21 ' A' ' 75' ' ' VAL . . . -62.08 -43.94 97.75 Favored 'General case' 0 CA--C 1.505 -0.764 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.036 -179.379 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.02 -47.59 82.62 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 178.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.614 ' HG ' HG11 ' B' ' 57' ' ' VAL . 82.4 mt -63.1 -42.55 99.61 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.557 176.172 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.487 HG23 ' CZ ' ' B' ' 44' ' ' PHE . 14.9 m -62.15 -52.1 65.2 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 120.429 -0.508 . . . . 0.0 110.254 -179.078 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.76 HG12 ' O ' ' B' ' 79' ' ' ALA . 7.5 p -66.02 -43.53 92.5 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 C-N-CA 120.633 -0.427 . . . . 0.0 111.406 177.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.27 -54.72 43.58 Favored 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.323 -179.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 85' ' ' MET . . . . . 0.891 ' SD ' ' HB3' ' B' ' 47' ' ' ALA . 29.4 ttp -69.14 -45.27 70.52 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 -179.247 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -64.19 -46.75 82.56 Favored 'General case' 0 CA--C 1.513 -0.477 0 N-CA-C 112.146 0.425 . . . . 0.0 112.146 -174.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 18.0 t30 -62.01 -33.76 74.94 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.501 -0.48 . . . . 0.0 111.48 -176.043 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -52.8 -43.4 65.87 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 178.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 . . . . . 0 C--N 1.32 -0.69 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.604 -179.438 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m . . . . . 0 C--O 1.24 0.554 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -62.26 -38.23 88.49 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 174.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.855 HD21 HG21 ' B' ' 14' ' ' VAL . 4.1 mm? -61.14 -44.14 97.78 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 176.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -66.01 -42.31 89.84 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 115.129 -0.942 . . . . 0.0 109.267 177.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.3 m -61.15 -46.14 91.75 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 109.06 -0.718 . . . . 0.0 109.06 176.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.54 -48.84 78.21 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.073 178.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.569 ' SD ' HG23 ' B' ' 78' ' ' VAL . 1.1 mtp -61.78 -44.15 97.44 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.106 -0.638 . . . . 0.0 109.681 179.452 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -62.8 -37.2 85.8 Favored 'General case' 0 CA--C 1.511 -0.55 0 C-N-CA 120.563 -0.455 . . . . 0.0 111.498 176.039 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.9 m -59.92 -46.64 88.73 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 176.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.852 HD23 HD22 ' B' ' 4' ' ' LEU . 85.5 mt -64.17 -41.76 96.99 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.711 175.543 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.456 HG12 ' O ' ' A' ' 8' ' ' MET . 21.0 mm -62.21 -44.41 99.06 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 -179.282 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -62.47 -44.62 95.96 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.294 -178.2 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.727 HG11 HD11 ' B' ' 4' ' ' LEU . 77.2 t -64.18 -45.03 97.52 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.9 175.616 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -59.15 -46.37 88.55 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.731 178.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.537 ' NE2' ' OD1' ' B' ' 86' ' ' ASN . 2.1 m-70 -65.06 -41.15 95.37 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.902 179.569 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.432 ' O ' ' HG3' ' A' ' 21' ' ' LYS . . . -52.91 -49.69 65.45 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.437 ' CD2' HD13 ' A' ' 36' ' ' LEU . 93.7 m-70 -70.06 -37.58 75.55 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.701 176.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.499 ' HB3' ' HA ' ' A' ' 26' ' ' TYR . 37.5 m -54.93 -44.5 74.31 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 119.932 -0.707 . . . . 0.0 109.223 178.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.72 -35.43 89.74 Favored Glycine 0 C--O 1.222 -0.596 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 179.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.432 ' HG3' ' O ' ' A' ' 17' ' ' ALA . 62.2 mttm -63.97 -41.07 97.65 Favored 'General case' 0 C--O 1.242 0.683 0 O-C-N 122.843 -0.21 . . . . 0.0 111.431 -178.046 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.526 ' OE1' HD12 ' A' ' 28' ' ' LEU . 1.8 mt-10 -98.06 -25.27 15.0 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -176.706 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 121.03 -160.03 15.44 Favored Glycine 0 N--CA 1.463 0.46 0 C-N-CA 121.075 -0.583 . . . . 0.0 111.752 177.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.5 t70 64.88 162.92 0.14 Allowed 'General case' 0 C--O 1.24 0.588 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 -175.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.438 ' C ' ' CD2' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -62.65 -49.48 74.99 Favored 'General case' 0 CA--C 1.506 -0.72 0 C-N-CA 119.613 -0.835 . . . . 0.0 109.369 179.302 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.5 ' CE1' ' HA ' ' B' ' 87' ' ' ASN . 0.2 OUTLIER -167.55 94.08 0.42 Allowed 'General case' 0 C--N 1.312 -1.026 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.121 172.018 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.7 mmmm -148.42 161.03 42.41 Favored 'General case' 0 C--N 1.31 -1.123 0 N-CA-C 107.148 -1.427 . . . . 0.0 107.148 173.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.526 HD12 ' OE1' ' A' ' 22' ' ' GLU . 49.7 tp -122.59 131.34 53.78 Favored 'General case' 0 C--N 1.301 -1.52 0 CA-C-O 121.13 0.49 . . . . 0.0 109.921 -179.204 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.433 ' HB2' ' HG3' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -97.19 179.62 4.84 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.007 178.458 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.578 ' NZ ' ' O ' ' A' ' 62' ' ' ASP . 4.7 mmmm -81.87 15.35 2.27 Favored 'General case' 0 C--N 1.314 -0.958 0 C-N-CA 120.545 -0.462 . . . . 0.0 111.578 -175.721 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.433 ' HG3' ' HB2' ' A' ' 29' ' ' SER . 6.5 mttm -91.63 -67.34 0.86 Allowed 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.124 0.488 . . . . 0.0 109.964 -179.498 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.419 ' O ' ' HB3' ' A' ' 36' ' ' LEU . 70.6 mm-40 -66.51 -34.82 78.78 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.412 178.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.565 ' C ' HD13 ' A' ' 33' ' ' LEU . 2.2 tm? -54.76 -46.19 74.33 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -168.443 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.654 ' HZ2' ' HB2' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -61.01 -47.93 84.18 Favored 'General case' 0 CA--C 1.501 -0.921 0 C-N-CA 119.313 -0.955 . . . . 0.0 108.788 -179.857 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.515 ' HA ' HE21 ' A' ' 38' ' ' GLN . 18.8 mm-40 -67.69 -44.05 78.68 Favored 'General case' 0 N--CA 1.431 -1.402 0 CA-C-N 114.307 -1.315 . . . . 0.0 109.207 -176.177 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.669 HD21 ' CE1' ' A' ' 74' ' ' TYR . 3.6 tp -60.09 -49.38 77.88 Favored 'General case' 0 C--N 1.306 -1.321 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.832 176.334 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.688 HD23 HG12 ' A' ' 78' ' ' VAL . 3.0 tm? -63.94 -47.6 79.87 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 120.043 -0.663 . . . . 0.0 111.471 -177.309 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.663 ' HA ' HD22 ' A' ' 45' ' ' LEU . 29.0 pt20 -65.96 -41.27 91.42 Favored 'General case' 0 CA--C 1.511 -0.522 0 C-N-CA 119.338 -0.945 . . . . 0.0 110.593 178.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.444 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 95.5 m -63.51 -53.22 55.42 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 115.653 -0.703 . . . . 0.0 112.146 -177.2 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.694 ' HB3' HD12 ' B' ' 4' ' ' LEU . 75.7 mm-40 -73.81 -40.25 63.5 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 -174.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.477 HD22 HD21 ' A' ' 37' ' ' LEU . 10.1 mp -97.58 41.03 1.13 Allowed 'General case' 0 CA--C 1.508 -0.673 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.776 -178.596 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 73.0 m -52.54 -41.79 63.82 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.384 -178.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.51 -46.07 57.03 Favored Glycine 0 CA--C 1.522 0.495 0 C-N-CA 121.287 -0.482 . . . . 0.0 112.111 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.715 ' HA ' ' SD ' ' A' ' 85' ' ' MET . 59.3 m-85 -69.18 -39.77 78.5 Favored 'General case' 0 CA--C 1.488 -1.432 0 CA-C-O 121.432 0.634 . . . . 0.0 109.99 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.663 HD22 ' HA ' ' A' ' 38' ' ' GLN . 55.8 tp -61.47 -44.11 97.67 Favored 'General case' 0 N--CA 1.423 -1.808 0 CA-C-N 114.93 -1.032 . . . . 0.0 110.482 -179.19 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -55.69 -51.26 67.91 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.086 -177.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.821 ' HB3' ' SD ' ' A' ' 85' ' ' MET . . . -68.89 -40.4 79.23 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.732 179.159 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 60.1 mm-40 -65.97 -29.26 69.62 Favored 'General case' 0 CA--C 1.511 -0.523 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -176.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.567 ' HE3' HD11 ' A' ' 45' ' ' LEU . 22.2 mmtp -59.17 -39.85 83.79 Favored 'General case' 0 C--N 1.311 -1.102 0 C-N-CA 120.088 -0.645 . . . . 0.0 110.844 179.228 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -69.92 -8.13 46.19 Favored 'General case' 0 C--N 1.313 -1.006 0 C-N-CA 120.611 -0.436 . . . . 0.0 110.839 177.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.743 ' O ' HG12 ' A' ' 54' ' ' VAL . 62.0 t -105.94 131.54 55.24 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 -177.768 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -61.04 -37.5 82.83 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.104 0.478 . . . . 0.0 110.941 -178.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.413 ' H ' HG12 ' A' ' 51' ' ' VAL . . . -51.83 -25.17 7.22 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.496 -174.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.743 HG12 ' O ' ' A' ' 51' ' ' VAL . 13.3 p -59.85 -42.22 88.35 Favored 'Isoleucine or valine' 0 C--O 1.24 0.577 0 C-N-CA 120.079 -0.648 . . . . 0.0 109.904 179.697 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -59.17 -49.22 78.7 Favored 'General case' 0 CA--C 1.504 -0.819 0 CA-C-O 121.619 0.723 . . . . 0.0 109.888 177.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 50.7 mttp -64.11 -42.45 96.86 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-N 114.33 -1.305 . . . . 0.0 112.43 -175.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.482 HG12 HD12 ' A' ' 77' ' ' LEU . 71.6 t -66.69 -47.53 82.87 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.805 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 178.482 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 64.5 ttp -61.89 -39.16 90.97 Favored 'General case' 0 N--CA 1.43 -1.438 0 CA-C-N 114.375 -1.284 . . . . 0.0 110.473 178.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -63.03 -49.49 74.41 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.28 -178.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -64.74 -43.34 93.67 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.227 -0.589 . . . . 0.0 110.849 179.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.423 ' HG ' ' HB2' ' A' ' 77' ' ' LEU . 2.3 mm? -62.82 -39.75 95.26 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.866 174.66 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.578 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . 37.2 t0 -60.86 -45.1 95.86 Favored 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.277 176.594 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -64.2 -43.33 95.38 Favored 'General case' 0 CA--C 1.513 -0.473 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 178.085 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.492 ' C ' ' H ' ' A' ' 66' ' ' ASP . 13.3 t-20 -63.3 -41.86 99.0 Favored 'General case' 0 C--N 1.313 -1.015 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 179.356 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.44 ' HA3' ' HD3' ' A' ' 30' ' ' LYS . . . -71.72 41.29 0.68 Allowed Glycine 0 C--N 1.319 -0.364 0 N-CA-C 110.083 -1.207 . . . . 0.0 110.083 176.668 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.492 ' H ' ' C ' ' A' ' 64' ' ' ASN . 35.1 t70 -62.37 -39.68 93.97 Favored 'General case' 0 CA--C 1.501 -0.915 0 CA-C-O 121.225 0.536 . . . . 0.0 109.558 -179.538 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -116.22 -62.51 0.34 Allowed Glycine 0 C--N 1.31 -0.911 0 N-CA-C 109.307 -1.517 . . . . 0.0 109.307 176.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -135.38 157.6 46.48 Favored 'General case' 0 C--N 1.314 -0.958 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 176.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.659 HG23 ' CB ' ' A' ' 73' ' ' GLU . 1.5 p -113.19 124.38 69.77 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.235 0 N-CA-C 106.625 -1.62 . . . . 0.0 106.625 170.542 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.578 ' CG ' ' H ' ' A' ' 71' ' ' PHE . 14.0 t70 -92.62 179.36 5.52 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.604 -173.251 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.578 ' H ' ' CG ' ' A' ' 70' ' ' ASP . 58.6 t80 -58.42 -43.57 88.72 Favored 'General case' 0 C--N 1.306 -1.283 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 -179.574 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -59.32 -43.79 92.66 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.897 179.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.659 ' CB ' HG23 ' A' ' 69' ' ' VAL . 1.7 mp0 -66.31 -38.93 88.84 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.277 0.56 . . . . 0.0 109.944 175.054 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.669 ' CE1' HD21 ' A' ' 36' ' ' LEU . 43.4 t80 -60.82 -48.07 83.46 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.339 -179.025 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.687 HG21 ' CB ' ' B' ' 79' ' ' ALA . 13.5 m -64.57 -41.89 93.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 C-N-CA 119.846 -0.742 . . . . 0.0 112.064 179.766 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.416 HG12 ' HA ' ' A' ' 73' ' ' GLU . 14.7 p -65.41 -40.1 87.3 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 C-N-CA 120.02 -0.672 . . . . 0.0 111.057 -179.4 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.532 HD23 HD21 ' A' ' 33' ' ' LEU . 48.0 tp -60.89 -48.67 80.76 Favored 'General case' 0 CA--C 1.509 -0.62 0 C-N-CA 120.571 -0.452 . . . . 0.0 110.345 179.519 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.688 HG12 HD23 ' A' ' 37' ' ' LEU . 13.6 m -69.4 -42.73 81.18 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.84 0 C-N-CA 120.115 -0.634 . . . . 0.0 110.843 178.304 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.703 ' CB ' HG21 ' B' ' 75' ' ' VAL . . . -62.94 -42.6 99.86 Favored 'General case' 0 CA--C 1.508 -0.647 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.481 179.51 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.438 ' HB3' HG11 ' A' ' 57' ' ' VAL . . . -56.79 -49.23 75.95 Favored 'General case' 0 CA--C 1.51 -0.585 0 CA-C-O 121.371 0.605 . . . . 0.0 109.87 -178.641 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 90.7 mt -63.08 -41.19 99.36 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.153 -0.93 . . . . 0.0 109.334 176.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.591 HG23 ' CZ ' ' A' ' 44' ' ' PHE . 23.4 m -61.75 -51.75 67.04 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.219 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.436 HG12 ' O ' ' A' ' 79' ' ' ALA . 7.3 p -63.16 -44.9 99.63 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.409 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.627 -179.623 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.31 -51.71 68.3 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.23 178.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.821 ' SD ' ' HB3' ' A' ' 47' ' ' ALA . 26.2 ttp -68.16 -42.72 79.61 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 119.761 -0.776 . . . . 0.0 110.627 179.606 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.498 ' OD1' HG21 ' B' ' 12' ' ' ILE . 0.4 OUTLIER -48.84 -29.64 4.86 Favored 'General case' 0 CA--C 1.501 -0.92 0 C-N-CA 120.545 -0.462 . . . . 0.0 110.874 -176.073 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.407 HD22 ' HH ' ' B' ' 26' ' ' TYR . 17.8 t-20 -46.66 -38.78 10.26 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.619 176.15 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -63.09 -43.54 98.22 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.247 177.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 15.3 m-30 -61.44 -48.44 81.15 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.21 -176.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.451 ' CE2' ' ND1' ' B' ' 16' ' ' HIS . 25.4 m95 . . . . . 0 C--N 1.318 -0.766 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -176.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 28.0 m . . . . . 0 N--CA 1.451 -0.405 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . 0.426 ' H ' ' CD ' ' B' ' 3' ' ' GLU . 56.1 mp0 -53.55 -20.41 4.96 Favored 'General case' 0 CA--C 1.517 -0.316 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 177.512 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.852 HD22 HD23 ' A' ' 11' ' ' LEU . 77.2 mt -61.59 -41.23 97.12 Favored 'General case' 0 N--CA 1.437 -1.124 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 177.615 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -61.8 -43.81 98.11 Favored 'General case' 0 N--CA 1.445 -0.713 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 178.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . 0.408 ' O ' ' N ' ' B' ' 10' ' ' THR . 9.9 m -61.44 -43.53 98.7 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.47 174.636 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.94 -47.06 87.32 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.955 177.048 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . 0.557 ' SD ' HD12 ' B' ' 11' ' ' LEU . 97.3 mmm -63.69 -39.88 95.41 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 178.066 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . 0.448 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 50.4 mm-40 -61.14 -40.89 95.55 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 173.12 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.581 ' O ' HG23 ' B' ' 14' ' ' VAL . 7.5 m -60.6 -44.62 96.08 Favored 'General case' 0 N--CA 1.443 -0.795 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 176.489 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.688 HD23 ' CD1' ' A' ' 4' ' ' LEU . 87.4 mt -62.58 -43.49 98.67 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.034 176.54 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.498 HG21 ' OD1' ' A' ' 86' ' ' ASN . 11.0 mm -63.32 -44.75 99.24 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.16 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 178.553 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 49.0 m-80 -62.47 -43.51 98.63 Favored 'General case' 0 CA--C 1.504 -0.789 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.537 -178.468 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.855 HG21 HD21 ' A' ' 4' ' ' LEU . 85.0 t -64.69 -46.6 91.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 176.111 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.562 ' CE1' ' HB2' ' B' ' 28' ' ' LEU . 75.9 t80 -58.94 -47.68 84.19 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.323 179.272 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.555 ' NE2' ' HB3' ' B' ' 26' ' ' TYR . 9.8 m-70 -60.63 -39.36 87.99 Favored 'General case' 0 CA--C 1.505 -0.762 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.805 177.449 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.521 ' O ' ' HG2' ' B' ' 21' ' ' LYS . . . -54.07 -51.4 64.22 Favored 'General case' 0 C--N 1.318 -0.794 0 C-N-CA 120.121 -0.632 . . . . 0.0 109.618 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.701 ' CD2' HD22 ' B' ' 36' ' ' LEU . 98.5 m-70 -66.95 -39.96 87.41 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.08 177.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 47.1 m -56.6 -41.57 77.25 Favored 'General case' 0 CA--C 1.517 -0.29 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 173.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.88 -39.93 98.63 Favored Glycine 0 N--CA 1.449 -0.494 0 N-CA-C 110.552 -1.019 . . . . 0.0 110.552 176.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . 0.521 ' HG2' ' O ' ' B' ' 17' ' ' ALA . 75.6 mmtt -63.2 -47.42 82.63 Favored 'General case' 0 CA--C 1.513 -0.463 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 178.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.575 ' CD ' ' H ' ' B' ' 29' ' ' SER . 99.1 mt-10 -71.05 -41.29 70.98 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.182 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 133.01 -25.26 3.71 Favored Glycine 0 CA--C 1.535 1.319 0 C-N-CA 121.571 -0.347 . . . . 0.0 112.935 175.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -68.01 151.61 46.81 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 117.312 0.556 . . . . 0.0 111.037 -177.046 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.585 ' HG2' ' N ' ' B' ' 26' ' ' TYR . 0.1 OUTLIER -59.36 -42.31 91.31 Favored 'General case' 0 C--O 1.24 0.598 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 176.764 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.585 ' N ' ' HG2' ' B' ' 25' ' ' LYS . 2.3 p90 -166.04 94.61 0.57 Allowed 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.337 168.401 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.477 ' NZ ' ' OE1' ' B' ' 68' ' ' GLU . 2.6 mmmm -154.7 157.29 37.86 Favored 'General case' 0 C--N 1.312 -1.057 0 N-CA-C 106.534 -1.654 . . . . 0.0 106.534 171.39 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.562 ' HB2' ' CE1' ' B' ' 15' ' ' PHE . 43.0 tp -125.31 127.66 47.01 Favored 'General case' 0 C--N 1.3 -1.553 0 C-N-CA 119.931 -0.708 . . . . 0.0 111.033 179.016 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.575 ' H ' ' CD ' ' B' ' 22' ' ' GLU . 1.5 m -96.44 162.8 13.32 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 176.704 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.622 ' NZ ' ' O ' ' B' ' 61' ' ' LEU . 2.7 mmmm -70.4 -6.66 37.18 Favored 'General case' 0 C--N 1.312 -1.054 0 C-N-CA 119.9 -0.72 . . . . 0.0 112.01 -175.282 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.558 ' HD2' ' HG2' ' B' ' 22' ' ' GLU . 0.2 OUTLIER -70.56 -53.21 16.96 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.056 -0.657 . . . . 0.0 110.79 177.781 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' B' ' 36' ' ' LEU . 75.1 mm-40 -73.83 -40.7 63.13 Favored 'General case' 0 C--O 1.219 -0.518 0 N-CA-C 112.089 0.404 . . . . 0.0 112.089 175.235 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.735 HD11 ' CD2' ' B' ' 77' ' ' LEU . 2.3 tm? -58.54 -48.87 79.45 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 -167.592 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.414 ' N ' HD13 ' B' ' 33' ' ' LEU . 19.9 pttp -65.27 -38.08 89.18 Favored 'General case' 0 C--N 1.314 -0.968 0 C-N-CA 119.132 -1.027 . . . . 0.0 110.625 179.763 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.446 ' HA ' HE21 ' B' ' 38' ' ' GLN . 80.0 mm-40 -65.68 -46.38 79.27 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 174.017 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.737 HD21 ' CE1' ' B' ' 74' ' ' TYR . 3.3 tp -61.44 -48.01 83.12 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.613 -0.722 . . . . 0.0 111.408 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.632 HD22 ' HB2' ' B' ' 41' ' ' LEU . 1.4 tm? -63.42 -46.56 85.79 Favored 'General case' 0 C--N 1.316 -0.854 0 C-N-CA 120.663 -0.415 . . . . 0.0 111.132 -179.289 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.446 HE21 ' HA ' ' B' ' 35' ' ' GLU . 24.5 pt20 -67.16 -42.69 83.91 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 119.866 -0.733 . . . . 0.0 110.811 177.736 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 63.5 m -62.68 -52.17 64.36 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.626 -0.715 . . . . 0.0 112.635 -178.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -79.07 -39.49 33.67 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 113.214 0.82 . . . . 0.0 113.214 -176.151 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.632 ' HB2' HD22 ' B' ' 37' ' ' LEU . 6.9 mp -102.92 33.46 3.24 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.657 -176.002 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 51.3 m -51.23 -40.0 57.84 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.274 -178.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.02 -49.5 62.22 Favored Glycine 0 C--O 1.243 0.684 0 N-CA-C 110.757 -0.937 . . . . 0.0 110.757 178.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.611 ' HA ' ' SD ' ' B' ' 85' ' ' MET . 63.7 m-85 -64.2 -43.39 95.21 Favored 'General case' 0 CA--C 1.5 -0.944 0 CA-C-O 121.468 0.652 . . . . 0.0 109.699 177.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.504 ' O ' HD12 ' B' ' 45' ' ' LEU . 3.1 tp -60.85 -47.73 85.01 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.715 178.419 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.467 ' OD1' ' NZ ' ' B' ' 49' ' ' LYS . 29.8 t70 -61.84 -41.91 98.39 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 120.699 -0.4 . . . . 0.0 111.396 178.779 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.25 -35.52 81.1 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.424 177.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.717 HE22 HG11 ' B' ' 51' ' ' VAL . 13.2 mm100 -89.42 -1.89 58.21 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 114.3 1.222 . . . . 0.0 114.3 -173.252 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.502 ' HG3' ' O ' ' B' ' 45' ' ' LEU . 31.0 mtmt -60.4 -43.08 97.02 Favored 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 113.49 0.922 . . . . 0.0 113.49 -171.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -86.48 -4.58 59.2 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 120.22 -0.592 . . . . 0.0 111.453 -178.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . 0.717 HG11 HE22 ' B' ' 48' ' ' GLN . 60.7 t -82.76 133.55 28.85 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.011 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.45 -178.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -57.62 -40.75 79.88 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.106 -178.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.532 ' O ' HG23 ' B' ' 57' ' ' VAL . . . -53.95 -31.04 49.23 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.581 -177.241 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.428 HG12 ' O ' ' B' ' 51' ' ' VAL . 1.4 p -59.76 -44.58 94.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 C-N-CA 119.352 -0.939 . . . . 0.0 109.773 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.541 ' O ' ' N ' ' B' ' 59' ' ' LYS . 23.1 t70 -62.45 -48.67 78.62 Favored 'General case' 0 CA--C 1.497 -1.087 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 176.052 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -64.97 -42.33 94.65 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.924 -173.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.532 HG23 ' O ' ' B' ' 53' ' ' ALA . 87.0 t -67.36 -44.61 87.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 177.384 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . 0.462 ' O ' ' N ' ' B' ' 62' ' ' ASP . 66.5 ttp -61.73 -40.32 94.64 Favored 'General case' 0 N--CA 1.433 -1.276 0 CA-C-N 114.641 -1.163 . . . . 0.0 109.978 175.433 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . 0.541 ' N ' ' O ' ' B' ' 55' ' ' ASP . 0.1 OUTLIER -61.1 -45.17 95.79 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.368 179.902 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -57.4 -46.98 82.88 Favored 'General case' 0 C--O 1.243 0.759 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 178.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.622 ' O ' ' NZ ' ' B' ' 30' ' ' LYS . 2.2 mm? -63.63 -42.21 98.2 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.028 173.518 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' B' ' 58' ' ' MET . 29.2 t70 -56.55 -48.13 77.97 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-O 121.207 0.527 . . . . 0.0 109.784 -178.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -66.04 -37.27 85.45 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.906 176.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . 0.487 ' C ' ' H ' ' B' ' 66' ' ' ASP . 3.1 t-20 -65.39 -8.48 18.92 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.063 177.588 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . 0.463 ' HA2' ' NZ ' ' B' ' 30' ' ' LYS . . . -60.59 3.63 0.36 Allowed Glycine 0 N--CA 1.472 1.043 0 N-CA-C 111.479 -0.649 . . . . 0.0 111.479 177.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.487 ' H ' ' C ' ' B' ' 64' ' ' ASN . 54.8 m-20 -60.94 -40.2 92.36 Favored 'General case' 0 CA--C 1.504 -0.824 0 N-CA-C 108.045 -1.095 . . . . 0.0 108.045 176.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -141.26 -139.46 3.68 Favored Glycine 0 C--O 1.244 0.725 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 178.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.477 ' OE1' ' NZ ' ' B' ' 27' ' ' LYS . 92.8 mt-10 -90.43 164.99 14.08 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 121.29 0.567 . . . . 0.0 111.002 -178.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.708 HG23 ' HB2' ' B' ' 73' ' ' GLU . 1.4 p -116.53 125.68 73.64 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.266 0 N-CA-C 107.283 -1.377 . . . . 0.0 107.283 173.489 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.59 ' CG ' ' H ' ' B' ' 71' ' ' PHE . 44.3 t0 -99.77 -175.8 3.08 Favored 'General case' 0 C--N 1.307 -1.253 0 C-N-CA 120.498 -0.481 . . . . 0.0 111.163 -173.688 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.59 ' H ' ' CG ' ' B' ' 70' ' ' ASP . 45.4 t80 -58.46 -45.23 89.02 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.152 0.501 . . . . 0.0 110.113 -172.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -59.19 -45.03 92.12 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.634 177.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.708 ' HB2' HG23 ' B' ' 69' ' ' VAL . 1.9 mp0 -68.04 -38.24 82.26 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.246 0.546 . . . . 0.0 110.304 176.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . 0.737 ' CE1' HD21 ' B' ' 36' ' ' LEU . 29.5 t80 -60.92 -48.31 82.42 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.693 179.416 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.703 HG21 ' CB ' ' A' ' 79' ' ' ALA . 34.0 m -63.2 -41.49 92.98 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 C-N-CA 119.915 -0.714 . . . . 0.0 112.072 -179.024 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.412 HG12 ' O ' ' B' ' 73' ' ' GLU . 10.6 p -64.81 -38.38 82.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 C-N-CA 120.206 -0.598 . . . . 0.0 110.818 -179.167 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.735 ' CD2' HD11 ' B' ' 33' ' ' LEU . 61.2 tp -61.47 -48.2 82.2 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-O 120.866 0.365 . . . . 0.0 110.257 179.445 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.569 HG23 ' SD ' ' A' ' 8' ' ' MET . 27.7 m -70.43 -39.7 76.69 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.636 0 C-N-CA 120.075 -0.65 . . . . 0.0 111.188 177.559 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.687 ' CB ' HG21 ' A' ' 75' ' ' VAL . . . -63.95 -40.82 97.29 Favored 'General case' 0 CA--C 1.508 -0.669 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.45 177.689 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . 0.459 ' O ' HG12 ' B' ' 83' ' ' VAL . . . -56.64 -50.39 72.19 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-O 121.259 0.552 . . . . 0.0 109.571 -178.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.525 HD12 HD21 ' B' ' 37' ' ' LEU . 99.6 mt -64.8 -41.4 95.83 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.57 177.182 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.593 HG23 ' CZ ' ' B' ' 44' ' ' PHE . 19.5 m -63.04 -48.64 77.85 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.968 179.111 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.459 HG12 ' O ' ' B' ' 80' ' ' ALA . 7.7 p -62.82 -43.54 98.9 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.107 -179.623 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.19 -51.29 70.61 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.372 178.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 85' ' ' MET . . . . . 0.611 ' SD ' ' HA ' ' B' ' 44' ' ' PHE . 27.0 ttt -65.13 -41.68 94.58 Favored 'General case' 0 CA--C 1.508 -0.639 0 C-N-CA 119.945 -0.702 . . . . 0.0 109.379 177.708 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.537 ' OD1' ' NE2' ' A' ' 16' ' ' HIS . 26.8 t-20 -60.82 -40.13 91.62 Favored 'General case' 0 CA--C 1.501 -0.911 0 C-N-CA 120.223 -0.591 . . . . 0.0 109.473 -179.201 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . 0.5 ' HA ' ' CE1' ' A' ' 26' ' ' TYR . 37.3 t30 -58.28 -46.11 86.66 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.07 -0.513 . . . . 0.0 109.86 178.282 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -68.93 -33.26 73.45 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.048 176.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . 0.492 ' HB2' ' HA ' ' B' ' 86' ' ' ASN . 5.5 t80 . . . . . 0 C--N 1.318 -0.765 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.003 -173.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 m . . . . . 0 C--O 1.237 0.404 0 CA-C-O 120.53 0.205 . . . . 0.0 110.653 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 55.9 mp0 -57.54 -48.84 78.21 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-O 121.103 0.478 . . . . 0.0 110.585 -178.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.829 ' CD1' HD23 ' B' ' 11' ' ' LEU . 0.9 OUTLIER -62.48 -43.61 98.39 Favored 'General case' 0 C--N 1.314 -0.946 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 -178.434 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.42 ' HG2' ' HD2' ' B' ' 44' ' ' PHE . 61.4 mt-10 -65.62 -45.49 82.9 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-N 115.04 -0.982 . . . . 0.0 109.265 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 14.6 m -62.49 -44.8 95.5 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.365 175.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.566 ' HB1' ' HB1' ' B' ' 7' ' ' ALA . . . -54.42 -49.82 69.08 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.309 178.719 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.597 ' SD ' HD11 ' B' ' 11' ' ' LEU . 94.3 mmm -63.82 -41.48 97.85 Favored 'General case' 0 CA--C 1.513 -0.446 0 C-N-CA 119.876 -0.73 . . . . 0.0 110.587 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.4 ' HA ' ' HB ' ' A' ' 12' ' ' ILE . 91.0 mt-10 -66.14 -35.1 79.59 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 119.998 -0.681 . . . . 0.0 111.292 176.47 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.45 HG22 ' CD1' ' B' ' 4' ' ' LEU . 10.0 m -56.53 -43.4 79.81 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 107.907 -1.146 . . . . 0.0 107.907 178.431 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.667 HD23 HD12 ' B' ' 4' ' ' LEU . 83.3 mt -62.91 -41.1 99.34 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.636 174.415 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.543 HG22 ' CD2' ' A' ' 16' ' ' HIS . 25.6 mm -62.44 -43.47 98.28 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 179.436 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -60.2 -44.59 95.0 Favored 'General case' 0 CA--C 1.505 -0.755 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 -178.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 55.4 t -63.89 -45.9 95.7 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.688 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.067 176.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.425 ' CE1' ' HB2' ' A' ' 28' ' ' LEU . 64.0 t80 -59.67 -48.18 82.68 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.507 -178.024 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.58 ' NE2' ' OD1' ' B' ' 86' ' ' ASN . 74.5 m-70 -60.57 -40.95 93.57 Favored 'General case' 0 CA--C 1.508 -0.642 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.301 176.378 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.462 ' O ' ' NZ ' ' A' ' 21' ' ' LYS . . . -53.45 -48.82 68.49 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.833 -176.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -76.61 -37.9 55.66 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.698 178.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 65.5 m -57.68 -42.99 84.73 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-O 121.164 0.507 . . . . 0.0 110.017 178.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.32 -42.19 93.45 Favored Glycine 0 N--CA 1.446 -0.694 0 N-CA-C 110.731 -0.948 . . . . 0.0 110.731 -178.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.462 ' NZ ' ' O ' ' A' ' 17' ' ' ALA . 1.5 mmtp -65.36 -46.73 79.02 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.182 0.515 . . . . 0.0 109.612 -178.457 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.524 ' OE1' ' N ' ' A' ' 29' ' ' SER . 99.1 mt-10 -70.45 -41.53 72.7 Favored 'General case' 0 N--CA 1.441 -0.912 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.314 -176.144 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 160.33 -73.13 0.21 Allowed Glycine 0 CA--C 1.522 0.474 0 C-N-CA 119.999 -1.095 . . . . 0.0 113.141 177.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -60.52 157.07 14.93 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -172.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.626 ' HG3' ' CE2' ' A' ' 26' ' ' TYR . 0.5 OUTLIER -66.33 -30.83 71.31 Favored 'General case' 0 C--O 1.241 0.623 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 175.482 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.626 ' CE2' ' HG3' ' A' ' 25' ' ' LYS . 0.6 OUTLIER -149.37 91.83 1.87 Allowed 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.468 173.24 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.407 ' HD2' ' HA ' ' A' ' 27' ' ' LYS . 12.6 mmmm -159.71 155.42 25.97 Favored 'General case' 0 CA--C 1.501 -0.906 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 167.114 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.565 HD21 HD23 ' A' ' 33' ' ' LEU . 53.6 tp -129.09 132.48 47.42 Favored 'General case' 0 C--N 1.304 -1.411 0 C-N-CA 120.583 -0.447 . . . . 0.0 109.908 177.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.557 ' HB2' ' HG3' ' A' ' 31' ' ' LYS . 1.1 m -104.34 173.92 6.09 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 -179.382 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.546 ' NZ ' ' O ' ' A' ' 61' ' ' LEU . 11.2 mmmm -76.33 -5.98 49.5 Favored 'General case' 0 C--N 1.315 -0.902 0 C-N-CA 120.459 -0.496 . . . . 0.0 111.467 -175.644 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.557 ' HG3' ' HB2' ' A' ' 29' ' ' SER . 0.0 OUTLIER -67.67 -69.69 0.3 Allowed 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 178.813 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.464 ' O ' ' N ' ' A' ' 36' ' ' LEU . 58.7 mm-40 -69.77 -35.12 74.65 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.266 -0.879 . . . . 0.0 112.19 179.579 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.767 ' O ' HD22 ' A' ' 33' ' ' LEU . 1.2 tm? -56.62 -50.04 73.19 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 113.264 0.839 . . . . 0.0 113.264 -167.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.435 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 7.5 mtmp? -63.59 -41.68 98.33 Favored 'General case' 0 CA--C 1.508 -0.655 0 C-N-CA 118.391 -1.323 . . . . 0.0 110.69 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.413 ' O ' ' OG1' ' A' ' 39' ' ' THR . 92.9 mt-10 -65.37 -44.08 88.72 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.933 -0.765 . . . . 0.0 108.933 176.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.492 ' O ' HD12 ' A' ' 36' ' ' LEU . 3.2 tp -60.43 -48.42 81.85 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.334 179.383 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.681 HD23 HG12 ' A' ' 78' ' ' VAL . 3.1 tm? -63.42 -48.21 78.73 Favored 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 119.911 -0.716 . . . . 0.0 111.424 -178.137 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.573 ' HA ' HD22 ' A' ' 45' ' ' LEU . 19.9 pt20 -66.0 -40.12 90.88 Favored 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 120.15 -0.62 . . . . 0.0 110.348 178.583 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.413 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 71.2 m -65.32 -52.86 51.19 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 115.558 -0.746 . . . . 0.0 112.877 -177.672 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.405 ' HG2' HD12 ' A' ' 36' ' ' LEU . 79.5 mm-40 -73.83 -40.67 63.16 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 119.729 -0.788 . . . . 0.0 112.146 -175.723 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.632 HD22 HD21 ' A' ' 37' ' ' LEU . 10.5 mp -88.35 44.78 1.22 Allowed 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.596 -178.24 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.57 -47.33 73.42 Favored 'General case' 0 C--N 1.31 -1.121 0 C-N-CA 120.96 -0.296 . . . . 0.0 111.633 -175.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.426 ' H ' ' CD ' ' B' ' 5' ' ' GLU . . . -70.24 -43.99 61.37 Favored Glycine 0 CA--C 1.522 0.494 0 N-CA-C 111.384 -0.686 . . . . 0.0 111.384 178.478 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.612 ' HA ' ' SD ' ' A' ' 85' ' ' MET . 41.8 m-85 -66.69 -42.44 86.48 Favored 'General case' 0 CA--C 1.499 -1.012 0 CA-C-O 121.068 0.461 . . . . 0.0 110.008 178.172 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.573 HD22 ' HA ' ' A' ' 38' ' ' GLN . 46.5 tp -61.14 -45.75 93.38 Favored 'General case' 0 N--CA 1.431 -1.423 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.023 174.302 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.481 ' O ' ' HE2' ' A' ' 49' ' ' LYS . 34.9 t70 -56.15 -47.24 78.6 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.021 0.439 . . . . 0.0 110.294 -179.764 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.737 ' HB3' ' SD ' ' A' ' 85' ' ' MET . . . -67.03 -36.51 82.26 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.909 175.498 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.458 ' HG2' ' O ' ' A' ' 44' ' ' PHE . 82.0 mm-40 -84.78 1.04 48.54 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 -174.566 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.57 ' HG3' ' O ' ' A' ' 45' ' ' LEU . 41.6 mtmt -58.89 -37.12 75.86 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 120.736 -0.385 . . . . 0.0 111.274 -176.339 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -114.38 36.48 3.74 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.866 0.365 . . . . 0.0 111.407 -179.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.52 ' C ' ' H ' ' A' ' 53' ' ' ALA . 57.6 t -112.64 -13.32 11.4 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 N-CA-C 111.841 0.312 . . . . 0.0 111.841 -179.533 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.52 ' OD1' ' NZ ' ' A' ' 56' ' ' LYS . 7.3 t70 62.17 -30.65 0.08 Allowed 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 112.889 0.699 . . . . 0.0 112.889 178.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.547 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -54.49 -33.07 59.13 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.014 0.435 . . . . 0.0 110.669 -178.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.755 ' HA ' HD21 ' A' ' 81' ' ' LEU . 9.7 p -58.81 -44.31 90.11 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.814 179.06 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 59' ' ' LYS . 31.3 t70 -61.16 -45.14 95.84 Favored 'General case' 0 CA--C 1.502 -0.895 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.296 176.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.52 ' NZ ' ' OD1' ' A' ' 52' ' ' ASP . 37.1 mttp -64.17 -45.34 88.83 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 115.001 -1.0 . . . . 0.0 110.792 -178.325 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.932 HG12 HD12 ' A' ' 77' ' ' LEU . 57.3 t -65.09 -44.8 95.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 177.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.464 ' O ' ' N ' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -67.1 -22.05 65.83 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.4 175.541 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 55' ' ' ASP . 0.5 OUTLIER -62.73 -43.55 98.5 Favored 'General case' 0 CA--C 1.502 -0.888 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.219 -178.833 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.415 ' O ' ' N ' ' A' ' 64' ' ' ASN . 95.9 mt-10 -58.58 -41.56 86.04 Favored 'General case' 0 N--CA 1.437 -1.112 0 N-CA-C 107.769 -1.197 . . . . 0.0 107.769 176.102 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.797 ' CD1' HD22 ' A' ' 77' ' ' LEU . 39.0 mt -65.24 -37.85 88.53 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.985 175.332 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 58' ' ' MET . 94.0 m-20 -61.75 -43.0 99.7 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 176.276 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -68.62 -48.92 62.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.652 0.739 . . . . 0.0 109.57 177.465 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.584 ' C ' ' H ' ' A' ' 66' ' ' ASP . 14.2 t-20 -68.1 -18.05 64.55 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.845 -1.07 . . . . 0.0 111.36 -178.234 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 61' ' ' LEU . . . -65.23 22.84 0.12 Allowed Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.741 -0.544 . . . . 0.0 111.741 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.584 ' H ' ' C ' ' A' ' 64' ' ' ASN . 37.0 t70 -62.08 -41.66 98.4 Favored 'General case' 0 CA--C 1.506 -0.728 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 175.697 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -126.47 -74.36 0.21 Allowed Glycine 0 N--CA 1.45 -0.417 0 N-CA-C 110.471 -1.051 . . . . 0.0 110.471 178.382 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -148.49 177.49 9.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.83 0.348 . . . . 0.0 111.205 -178.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.412 HG23 ' CB ' ' A' ' 73' ' ' GLU . 2.0 p -126.51 135.89 62.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.426 -0.806 . . . . 0.0 108.958 174.002 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -95.48 -179.8 4.89 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 121.372 0.606 . . . . 0.0 111.978 -175.125 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.549 ' O ' HG22 ' A' ' 75' ' ' VAL . 78.1 t80 -61.74 -45.17 95.08 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.596 178.03 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -61.27 -40.95 95.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.093 -178.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.412 ' CB ' HG23 ' A' ' 69' ' ' VAL . 92.6 mt-10 -68.06 -40.44 82.78 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 121.397 0.618 . . . . 0.0 109.449 174.271 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.476 ' CE1' HD21 ' A' ' 36' ' ' LEU . 29.3 t80 -60.93 -48.82 80.06 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.59 -0.732 . . . . 0.0 112.153 178.796 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.876 HG21 ' CB ' ' B' ' 79' ' ' ALA . 16.7 m -64.12 -42.81 96.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 C-N-CA 120.064 -0.654 . . . . 0.0 112.01 -178.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 14.9 p -65.07 -33.25 62.44 Favored 'Isoleucine or valine' 0 C--O 1.237 0.424 0 C-N-CA 120.092 -0.643 . . . . 0.0 110.324 178.221 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.932 HD12 HG12 ' A' ' 57' ' ' VAL . 49.0 tp -60.15 -49.24 78.44 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.739 179.182 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.681 HG12 HD23 ' A' ' 37' ' ' LEU . 8.6 m -73.0 -42.01 59.68 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.923 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.901 178.213 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.864 ' CB ' HG21 ' B' ' 75' ' ' VAL . . . -62.3 -40.97 98.05 Favored 'General case' 0 CA--C 1.513 -0.442 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.71 -178.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.12 -45.23 87.65 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 179.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.755 HD21 ' HA ' ' A' ' 54' ' ' VAL . 93.4 mt -63.7 -41.1 98.17 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.703 174.742 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.603 HG21 ' HB3' ' B' ' 8' ' ' MET . 19.4 m -61.2 -50.89 71.27 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.61 -177.29 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 10.3 p -62.78 -43.23 98.6 Favored 'Isoleucine or valine' 0 C--O 1.24 0.587 0 C-N-CA 120.433 -0.507 . . . . 0.0 110.737 179.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -56.6 -52.26 65.52 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.655 179.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.737 ' SD ' ' HB3' ' A' ' 47' ' ' ALA . 24.7 ttp -70.1 -43.02 71.93 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.356 -0.538 . . . . 0.0 110.598 179.711 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.408 ' OD1' HG13 ' B' ' 12' ' ' ILE . 7.0 m120 -64.1 -31.29 72.42 Favored 'General case' 0 CA--C 1.499 -0.988 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -175.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -56.53 -33.11 65.75 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 178.424 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.438 ' HB3' ' O ' ' A' ' 85' ' ' MET . 39.3 t80 -58.77 -45.68 89.22 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 179.246 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -55.07 -44.96 75.29 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 119.582 -0.847 . . . . 0.0 110.526 -172.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.424 ' CD1' ' CE1' ' B' ' 16' ' ' HIS . 83.9 m95 . . . . . 0 C--N 1.311 -1.067 0 CA-C-O 121.167 0.508 . . . . 0.0 110.476 179.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 5.9 m . . . . . 0 C--O 1.238 0.475 0 CA-C-O 120.57 0.224 . . . . 0.0 110.683 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . 0.504 ' O ' ' N ' ' B' ' 7' ' ' ALA . 67.8 mt-10 -56.92 -30.22 63.78 Favored 'General case' 0 CA--C 1.511 -0.531 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 177.106 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.667 HD12 HD23 ' A' ' 11' ' ' LEU . 3.5 mm? -61.97 -42.24 98.9 Favored 'General case' 0 CA--C 1.51 -0.591 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 175.723 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . 0.426 ' CD ' ' H ' ' A' ' 43' ' ' GLY . 35.8 mt-10 -62.55 -42.55 99.6 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 177.255 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 9.6 m -61.65 -44.72 96.45 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.695 173.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.566 ' HB1' ' HB1' ' A' ' 7' ' ' ALA . . . -58.26 -45.41 87.88 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 178.477 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . 0.603 ' HB3' HG21 ' A' ' 82' ' ' THR . 94.0 mmm -63.2 -41.56 99.19 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.393 177.577 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -64.14 -37.68 88.34 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 120.12 -0.632 . . . . 0.0 110.604 175.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 9.7 m -57.53 -43.42 84.34 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 178.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.829 HD23 ' CD1' ' A' ' 4' ' ' LEU . 73.0 mt -62.42 -42.7 99.64 Favored 'General case' 0 C--O 1.24 0.569 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.047 174.566 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.518 HD13 ' CD1' ' B' ' 71' ' ' PHE . 17.0 mm -62.83 -44.76 99.77 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.554 0 CA-C-N 116.132 -0.486 . . . . 0.0 109.766 -178.8 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 64.0 m-80 -61.54 -43.1 99.48 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.687 -176.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.51 HG21 HD21 ' A' ' 4' ' ' LEU . 90.2 t -63.93 -46.3 94.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.921 174.701 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -58.1 -48.15 81.07 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.742 -178.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.545 ' CE1' ' HB3' ' B' ' 26' ' ' TYR . 21.9 m-70 -66.26 -39.55 89.53 Favored 'General case' 0 CA--C 1.512 -0.505 0 C-N-CA 120.695 -0.402 . . . . 0.0 111.428 178.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.61 -50.94 66.86 Favored 'General case' 0 CA--C 1.518 -0.263 0 C-N-CA 120.557 -0.457 . . . . 0.0 109.826 178.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.449 ' ND1' ' OE1' ' B' ' 32' ' ' GLU . 93.3 m-70 -67.29 -40.06 86.04 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.872 177.649 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 32.2 m -57.75 -45.41 85.93 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 121.162 0.505 . . . . 0.0 109.918 -179.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.4 -40.92 99.31 Favored Glycine 0 N--CA 1.447 -0.591 0 N-CA-C 110.381 -1.088 . . . . 0.0 110.381 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -64.31 -44.19 92.34 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 121.075 -0.25 . . . . 0.0 111.495 -178.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.461 ' HG2' ' HD2' ' B' ' 31' ' ' LYS . 95.8 mt-10 -68.4 -38.19 81.06 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.018 -0.673 . . . . 0.0 111.113 179.697 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 136.94 -20.66 3.4 Favored Glycine 0 N--CA 1.47 0.917 0 C-N-CA 120.489 -0.862 . . . . 0.0 113.494 173.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -75.88 153.19 36.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 117.417 0.609 . . . . 0.0 111.516 -178.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.545 ' HB3' ' CE2' ' B' ' 26' ' ' TYR . 29.7 mtmt -62.48 -44.96 95.12 Favored 'General case' 0 CA--C 1.49 -1.343 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 176.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.545 ' HB3' ' CE1' ' B' ' 16' ' ' HIS . 0.1 OUTLIER -161.07 90.4 0.83 Allowed 'General case' 0 N--CA 1.422 -1.852 0 CA-C-N 114.855 -1.066 . . . . 0.0 109.395 173.735 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.433 ' HG2' ' O ' ' B' ' 26' ' ' TYR . 26.0 mmmt -162.58 154.94 19.01 Favored 'General case' 0 C--N 1.31 -1.135 0 N-CA-C 106.093 -1.817 . . . . 0.0 106.093 172.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.638 HD11 ' HB2' ' B' ' 32' ' ' GLU . 42.1 tp -124.65 132.39 53.41 Favored 'General case' 0 C--N 1.3 -1.575 0 C-N-CA 120.281 -0.567 . . . . 0.0 110.266 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.599 ' HB2' ' HG3' ' B' ' 31' ' ' LYS . 0.0 OUTLIER -96.62 178.91 5.17 Favored 'General case' 0 C--N 1.308 -1.21 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 175.285 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.571 ' NZ ' ' O ' ' B' ' 61' ' ' LEU . 4.2 mmmm -78.51 -3.61 44.45 Favored 'General case' 0 C--N 1.309 -1.156 0 C-N-CA 120.098 -0.641 . . . . 0.0 111.493 -177.315 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.599 ' HG3' ' HB2' ' B' ' 29' ' ' SER . 0.1 OUTLIER -64.7 -69.8 0.27 Allowed 'General case' 0 C--O 1.237 0.426 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 177.487 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.638 ' HB2' HD11 ' B' ' 28' ' ' LEU . 76.3 mm-40 -68.67 -38.69 80.6 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.504 179.149 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.549 HD13 ' C ' ' B' ' 33' ' ' LEU . 2.7 tm? -57.75 -46.81 83.98 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 120.585 -0.446 . . . . 0.0 111.591 -171.036 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 9.1 mtmp? -63.62 -42.16 98.21 Favored 'General case' 0 C--N 1.319 -0.746 0 C-N-CA 119.033 -1.067 . . . . 0.0 110.352 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.429 ' O ' ' OG1' ' B' ' 39' ' ' THR . 96.9 mt-10 -68.73 -44.39 73.92 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.1 177.424 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.702 HD21 ' CE1' ' B' ' 74' ' ' TYR . 1.1 tp -60.52 -50.08 74.99 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.759 -0.655 . . . . 0.0 112.123 179.662 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.668 HD23 HG12 ' B' ' 78' ' ' VAL . 2.9 tm? -62.7 -47.42 83.72 Favored 'General case' 0 C--N 1.313 -1.002 0 C-N-CA 119.785 -0.766 . . . . 0.0 111.283 -175.12 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.648 ' HB2' HD22 ' B' ' 45' ' ' LEU . 10.8 pt20 -66.44 -41.64 88.85 Favored 'General case' 0 C--N 1.314 -0.941 0 C-N-CA 120.111 -0.636 . . . . 0.0 110.635 177.718 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.429 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 73.9 m -63.82 -54.02 41.57 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.933 -0.576 . . . . 0.0 112.484 -177.293 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -70.86 -40.19 72.47 Favored 'General case' 0 CA--C 1.515 -0.397 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -176.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.47 HD22 HD21 ' B' ' 37' ' ' LEU . 10.8 mp -97.31 37.2 1.36 Allowed 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.874 -178.549 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 73.4 m -53.1 -42.32 65.82 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 121.056 -0.258 . . . . 0.0 111.561 -175.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.64 -46.55 67.82 Favored Glycine 0 N--CA 1.463 0.462 0 N-CA-C 110.901 -0.879 . . . . 0.0 110.901 178.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.555 ' CD1' ' SD ' ' B' ' 85' ' ' MET . 11.4 m-85 -62.12 -43.11 99.54 Favored 'General case' 0 CA--C 1.514 -0.422 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 174.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.648 HD22 ' HB2' ' B' ' 38' ' ' GLN . 2.4 tp -59.49 -48.5 81.4 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.122 179.626 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -59.81 -44.72 93.86 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-O 120.936 0.398 . . . . 0.0 110.467 -178.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . 0.456 ' HB3' ' SD ' ' B' ' 85' ' ' MET . . . -67.45 -38.63 84.79 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.727 175.214 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.553 ' HG2' ' SD ' ' B' ' 85' ' ' MET . 0.1 OUTLIER -65.27 -27.16 68.44 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 114.39 1.255 . . . . 0.0 114.39 -174.11 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.491 ' HG3' ' O ' ' B' ' 45' ' ' LEU . 23.5 mtpp -56.91 -42.72 80.45 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 120.337 -0.545 . . . . 0.0 111.046 -170.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -67.72 -21.31 65.3 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.434 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . 0.492 ' O ' ' N ' ' B' ' 53' ' ' ALA . 51.1 t -69.84 -20.38 23.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.413 -174.521 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.527 ' OD1' ' NZ ' ' B' ' 56' ' ' LYS . 41.2 t0 66.76 -51.44 0.46 Allowed 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 121.085 0.469 . . . . 0.0 110.531 -177.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.492 ' N ' ' O ' ' B' ' 51' ' ' VAL . . . -53.62 -24.98 15.71 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.012 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.415 HG13 ' N ' ' B' ' 55' ' ' ASP . 7.6 p -56.24 -43.93 78.0 Favored 'Isoleucine or valine' 0 C--O 1.241 0.612 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 178.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' B' ' 59' ' ' LYS . 32.9 t70 -60.59 -45.28 94.56 Favored 'General case' 0 CA--C 1.503 -0.838 0 CA-C-O 121.471 0.653 . . . . 0.0 109.752 175.51 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . 0.527 ' NZ ' ' OD1' ' B' ' 52' ' ' ASP . 60.8 mttp -66.52 -40.37 89.12 Favored 'General case' 0 C--N 1.307 -1.268 0 CA-C-N 114.625 -1.17 . . . . 0.0 111.774 -178.079 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.554 HG12 HD12 ' B' ' 77' ' ' LEU . 93.0 t -64.21 -46.15 94.25 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.603 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 176.052 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . 0.463 ' O ' ' N ' ' B' ' 62' ' ' ASP . 64.9 ttp -60.06 -36.92 78.39 Favored 'General case' 0 N--CA 1.434 -1.239 0 CA-C-N 114.383 -1.28 . . . . 0.0 108.975 173.507 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' B' ' 55' ' ' ASP . 0.3 OUTLIER -62.3 -41.71 98.75 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.02 179.633 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -60.25 -41.27 92.85 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.463 -0.939 . . . . 0.0 108.463 177.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.572 ' O ' ' HB3' ' B' ' 64' ' ' ASN . 2.7 mm? -63.85 -37.62 88.06 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.058 171.625 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.463 ' N ' ' O ' ' B' ' 58' ' ' MET . 26.1 t70 -61.35 -36.23 79.61 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.302 -179.211 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 76.7 mt-10 -51.85 -44.32 63.6 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 107.26 -1.385 . . . . 0.0 107.26 175.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . 0.599 ' C ' ' H ' ' B' ' 66' ' ' ASP . 0.4 OUTLIER -60.21 -4.58 0.84 Allowed 'General case' 0 N--CA 1.435 -1.207 0 CA-C-N 113.579 -1.646 . . . . 0.0 111.972 -178.259 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.58 8.31 0.03 OUTLIER Glycine 0 CA--C 1.535 1.343 0 N-CA-C 111.663 -0.575 . . . . 0.0 111.663 176.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.599 ' H ' ' C ' ' B' ' 64' ' ' ASN . 14.2 t70 -57.92 -37.46 74.09 Favored 'General case' 0 CA--C 1.51 -0.563 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 176.596 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -159.17 -90.35 0.08 OUTLIER Glycine 0 C--N 1.317 -0.512 0 N-CA-C 110.509 -1.036 . . . . 0.0 110.509 177.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.472 ' O ' ' ND2' ' B' ' 64' ' ' ASN . 1.4 mp0 -121.87 171.58 8.81 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-O 120.663 0.268 . . . . 0.0 110.538 -178.704 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.718 HG23 ' CB ' ' B' ' 73' ' ' GLU . 1.2 p -119.47 128.3 75.86 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.949 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 171.766 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.403 ' O ' ' N ' ' B' ' 74' ' ' TYR . 0.0 OUTLIER -93.52 -176.7 4.17 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.635 -0.426 . . . . 0.0 111.118 -175.324 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.626 ' O ' HG22 ' B' ' 75' ' ' VAL . 59.4 t80 -60.5 -45.4 93.92 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 -178.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -60.17 -42.05 94.15 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.152 178.251 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.718 ' CB ' HG23 ' B' ' 69' ' ' VAL . 57.2 mt-10 -68.33 -41.78 80.27 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-O 121.139 0.495 . . . . 0.0 110.541 174.465 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . 0.702 ' CE1' HD21 ' B' ' 36' ' ' LEU . 30.3 t80 -61.7 -47.98 82.84 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 178.489 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.864 HG21 ' CB ' ' A' ' 79' ' ' ALA . 16.5 m -63.55 -40.13 87.89 Favored 'Isoleucine or valine' 0 C--O 1.238 0.489 0 C-N-CA 119.938 -0.705 . . . . 0.0 112.02 -177.321 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.483 HG12 ' O ' ' B' ' 73' ' ' GLU . 12.1 p -63.85 -35.46 73.3 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 C-N-CA 120.266 -0.574 . . . . 0.0 110.968 -179.091 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.554 HD12 HG12 ' B' ' 57' ' ' VAL . 51.1 tp -61.14 -49.21 78.15 Favored 'General case' 0 CA--C 1.512 -0.485 0 C-N-CA 120.791 -0.363 . . . . 0.0 110.376 178.182 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.668 HG12 HD23 ' B' ' 37' ' ' LEU . 19.3 m -69.43 -42.53 81.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 C-N-CA 120.148 -0.621 . . . . 0.0 110.505 177.031 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.876 ' CB ' HG21 ' A' ' 75' ' ' VAL . . . -64.05 -44.19 93.23 Favored 'General case' 0 CA--C 1.508 -0.644 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.56 -179.612 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . 0.561 ' O ' HG12 ' B' ' 83' ' ' VAL . . . -61.69 -43.2 99.31 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 -179.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 95.9 mt -63.26 -41.61 99.07 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.473 174.234 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.416 ' O ' ' N ' ' B' ' 86' ' ' ASN . 19.9 m -61.23 -47.56 85.5 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.812 177.03 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.561 HG12 ' O ' ' B' ' 80' ' ' ALA . 0.3 OUTLIER -62.45 -42.83 97.16 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.724 0 C-N-CA 120.287 -0.565 . . . . 0.0 110.44 -179.261 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -56.88 -53.47 57.58 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.229 177.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 85' ' ' MET . . . . . 0.555 ' SD ' ' CD1' ' B' ' 44' ' ' PHE . 79.0 mtp -65.06 -39.7 93.66 Favored 'General case' 0 CA--C 1.512 -0.488 0 C-N-CA 120.149 -0.62 . . . . 0.0 111.61 174.595 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.58 ' OD1' ' NE2' ' A' ' 16' ' ' HIS . 28.3 t30 -59.16 -44.64 92.12 Favored 'General case' 0 CA--C 1.501 -0.924 0 C-N-CA 120.462 -0.495 . . . . 0.0 109.938 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . 0.42 ' OD1' ' CZ ' ' A' ' 26' ' ' TYR . 38.2 t30 -64.84 -41.98 95.28 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 174.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -60.29 -44.0 95.77 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.759 178.153 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.54 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.548 -178.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 m . . . . . 0 C--O 1.24 0.596 0 CA-C-O 120.97 0.414 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.443 ' H ' ' CD ' ' A' ' 3' ' ' GLU . 1.9 mp0 -55.51 -40.45 71.8 Favored 'General case' 0 CA--C 1.505 -0.769 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 176.361 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.86 HD21 HG21 ' B' ' 14' ' ' VAL . 4.0 mm? -61.71 -45.37 94.27 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.081 -0.963 . . . . 0.0 108.744 -178.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -65.81 -45.46 82.25 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.791 179.191 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 18.6 m -63.25 -45.87 89.52 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.368 176.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.47 -49.2 75.33 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 178.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.572 ' HE1' ' HB2' ' B' ' 79' ' ' ALA . 95.8 mmm -64.59 -41.33 96.33 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.528 177.514 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -64.47 -38.96 92.85 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 120.321 -0.552 . . . . 0.0 110.255 179.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 11.6 m -57.22 -43.54 82.91 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 178.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.82 HD11 ' SD ' ' B' ' 8' ' ' MET . 85.5 mt -62.82 -40.85 98.66 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.713 175.067 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.433 HD13 ' CD1' ' A' ' 71' ' ' PHE . 17.9 mm -62.25 -43.55 98.1 Favored 'Isoleucine or valine' 0 C--O 1.238 0.461 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 178.401 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -60.86 -44.99 96.29 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 -177.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.798 HG21 HD11 ' B' ' 4' ' ' LEU . 91.7 t -67.41 -43.65 87.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.094 177.032 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -58.37 -47.93 82.26 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.308 -177.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.481 ' NE2' ' OD1' ' B' ' 86' ' ' ASN . 52.3 m-70 -62.18 -35.7 79.64 Favored 'General case' 0 CA--C 1.506 -0.725 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.961 177.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.45 ' HB3' ' O ' ' A' ' 14' ' ' VAL . . . -51.81 -50.72 60.25 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -69.68 -39.64 76.87 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.894 176.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.478 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 26.7 m -52.42 -37.04 55.77 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 119.769 -0.773 . . . . 0.0 110.231 179.057 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -56.65 -25.33 50.72 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 110.69 -0.964 . . . . 0.0 110.69 177.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.7 mmtp -65.12 -41.46 94.83 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.989 0.423 . . . . 0.0 110.301 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.502 ' OE1' ' N ' ' A' ' 29' ' ' SER . 8.3 pt-20 -115.09 -28.19 7.07 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.106 -0.952 . . . . 0.0 112.316 -170.651 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.494 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . 85.92 -121.47 5.7 Favored Glycine 0 CA--C 1.525 0.701 0 C-N-CA 121.341 -0.457 . . . . 0.0 112.523 177.274 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.1 t70 63.58 -68.03 0.09 Allowed 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 -172.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.494 ' N ' ' O ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -178.99 -87.88 0.0 OUTLIER 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 114.98 -1.009 . . . . 0.0 109.09 172.233 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.443 ' CD1' ' N ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -113.88 94.76 4.98 Favored 'General case' 0 CA--C 1.499 -0.982 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 171.551 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.478 ' O ' ' HA ' ' A' ' 19' ' ' SER . 6.9 mmtp -141.41 155.69 45.87 Favored 'General case' 0 CA--C 1.482 -1.658 0 CA-C-N 115.444 -0.798 . . . . 0.0 112.56 -177.055 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.767 HD21 HD23 ' A' ' 33' ' ' LEU . 41.2 tp -136.96 117.45 13.76 Favored 'General case' 0 N--CA 1.414 -2.238 0 CA-C-N 114.159 -1.382 . . . . 0.0 108.042 173.023 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.514 ' HA ' ' HA ' ' A' ' 68' ' ' GLU . 23.3 m -85.65 158.39 20.09 Favored 'General case' 0 C--N 1.304 -1.384 0 CA-C-O 121.039 0.447 . . . . 0.0 110.574 -177.003 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.53 -5.81 9.04 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.348 -178.517 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.432 ' HG3' ' HB2' ' A' ' 29' ' ' SER . 1.0 OUTLIER -79.22 -57.33 3.78 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 175.698 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -70.71 -37.98 73.59 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.128 -0.942 . . . . 0.0 111.266 178.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.767 HD23 HD21 ' A' ' 28' ' ' LEU . 2.0 tm? -58.99 -45.77 89.8 Favored 'General case' 0 CA--C 1.513 -0.444 0 C-N-CA 120.917 -0.313 . . . . 0.0 111.43 -172.644 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.497 ' HG3' ' N ' ' A' ' 35' ' ' GLU . 65.0 pttt -60.62 -46.08 91.61 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 119.859 -0.736 . . . . 0.0 110.061 -178.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.497 ' N ' ' HG3' ' A' ' 34' ' ' LYS . 99.1 mt-10 -66.32 -44.83 82.28 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.611 177.232 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.615 HD21 ' CE1' ' A' ' 74' ' ' TYR . 3.3 tp -60.67 -49.56 77.01 Favored 'General case' 0 C--N 1.309 -1.181 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.748 -179.164 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.582 HD23 HG12 ' A' ' 78' ' ' VAL . 3.0 tm? -63.69 -47.26 81.9 Favored 'General case' 0 C--N 1.315 -0.896 0 C-N-CA 119.902 -0.719 . . . . 0.0 111.372 -176.423 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.708 ' HA ' HD22 ' A' ' 45' ' ' LEU . 5.5 pt20 -66.6 -42.16 87.34 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.186 0.517 . . . . 0.0 110.726 178.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.435 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 77.0 m -63.16 -50.41 70.48 Favored 'General case' 0 N--CA 1.438 -1.035 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.485 -177.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.444 ' HG2' HD12 ' A' ' 36' ' ' LEU . 75.4 mm-40 -75.48 -42.31 53.35 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -175.572 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.553 HD22 HD21 ' A' ' 37' ' ' LEU . 10.8 mp -95.59 39.32 1.13 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.906 0.384 . . . . 0.0 110.773 -177.472 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 36.6 p -54.38 -43.52 71.46 Favored 'General case' 0 C--N 1.312 -1.065 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.281 -175.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -66.93 -44.61 88.47 Favored Glycine 0 C--O 1.236 0.275 0 N-CA-C 111.524 -0.63 . . . . 0.0 111.524 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.454 ' O ' ' HG2' ' A' ' 48' ' ' GLN . 33.3 m-85 -71.14 -38.55 72.24 Favored 'General case' 0 CA--C 1.501 -0.919 0 CA-C-O 121.387 0.613 . . . . 0.0 109.595 178.194 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.708 HD22 ' HA ' ' A' ' 38' ' ' GLN . 45.0 tp -60.42 -44.61 95.57 Favored 'General case' 0 N--CA 1.436 -1.17 0 CA-C-N 115.053 -0.976 . . . . 0.0 111.256 -179.063 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.458 ' HA ' ' HE2' ' A' ' 49' ' ' LYS . 33.9 t70 -55.21 -45.59 75.92 Favored 'General case' 0 C--N 1.318 -0.772 0 C-N-CA 120.165 -0.614 . . . . 0.0 110.415 -177.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.39 -40.24 81.44 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.377 176.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.682 ' HG3' HD22 ' A' ' 81' ' ' LEU . 62.5 mm-40 -63.52 -19.77 65.05 Favored 'General case' 0 CA--C 1.514 -0.43 0 N-CA-C 112.994 0.738 . . . . 0.0 112.994 -177.472 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.458 ' HE2' ' HA ' ' A' ' 46' ' ' ASP . 36.1 mtmt -57.8 -35.61 71.07 Favored 'General case' 0 C--N 1.312 -1.065 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 178.13 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -94.57 13.04 25.39 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.448 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.533 HG21 ' NE2' ' A' ' 48' ' ' GLN . 72.5 t -117.51 131.91 68.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.997 0.427 . . . . 0.0 110.67 -178.253 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -65.23 -38.94 91.96 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.661 178.504 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.799 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -48.94 -45.29 41.52 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.928 -0.578 . . . . 0.0 112.384 -172.505 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.577 HG23 HD21 ' A' ' 81' ' ' LEU . 7.4 p -59.49 -39.34 78.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 C-N-CA 120.418 -0.513 . . . . 0.0 110.843 -176.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -55.47 -49.17 73.2 Favored 'General case' 0 CA--C 1.508 -0.655 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 178.286 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.457 ' O ' ' HB3' ' A' ' 59' ' ' LYS . 66.6 mttm -65.04 -38.6 91.42 Favored 'General case' 0 C--N 1.309 -1.172 0 CA-C-N 114.414 -1.266 . . . . 0.0 111.543 176.813 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.799 HG23 ' O ' ' A' ' 53' ' ' ALA . 84.7 t -62.1 -44.44 99.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 -179.554 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.468 ' HG3' ' O ' ' A' ' 54' ' ' VAL . 3.9 mtm -59.54 -39.81 85.19 Favored 'General case' 0 CA--C 1.507 -0.686 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 178.216 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.475 ' NZ ' ' OE2' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -62.99 -40.1 96.74 Favored 'General case' 0 C--N 1.308 -1.229 0 CA-C-N 114.085 -1.416 . . . . 0.0 111.19 -179.56 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -66.02 -44.39 84.84 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.221 0.534 . . . . 0.0 110.343 178.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.635 ' HG ' HD13 ' A' ' 77' ' ' LEU . 3.1 mm? -64.21 -38.98 93.0 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.798 176.556 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -59.0 -34.62 72.06 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.233 -0.894 . . . . 0.0 112.322 -172.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.475 ' OE2' ' NZ ' ' A' ' 59' ' ' LYS . 80.1 mm-40 -51.7 -64.74 0.72 Allowed 'General case' 0 CA--C 1.509 -0.623 0 C-N-CA 120.394 -0.523 . . . . 0.0 110.226 -178.188 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.528 ' O ' ' N ' ' A' ' 66' ' ' ASP . 0.1 OUTLIER -65.87 -36.72 84.22 Favored 'General case' 0 CA--C 1.498 -1.026 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.688 177.329 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.1 52.75 0.06 OUTLIER Glycine 0 N--CA 1.446 -0.653 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 -178.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.528 ' N ' ' O ' ' A' ' 64' ' ' ASN . 25.7 t70 -59.71 -40.98 89.76 Favored 'General case' 0 CA--C 1.501 -0.94 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 175.405 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -150.84 -40.0 0.03 OUTLIER Glycine 0 C--N 1.303 -1.252 0 N-CA-C 109.293 -1.523 . . . . 0.0 109.293 175.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.514 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 18.9 mt-10 -115.6 152.48 33.01 Favored 'General case' 0 N--CA 1.439 -1.019 0 CA-C-N 115.328 -0.436 . . . . 0.0 110.547 179.295 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.547 HG12 ' O ' ' A' ' 28' ' ' LEU . 2.5 p -132.73 133.03 59.62 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.397 0 N-CA-C 106.8 -1.556 . . . . 0.0 106.8 174.254 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.11 -177.79 4.58 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 120.005 -0.678 . . . . 0.0 112.316 -172.412 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.527 ' O ' HG22 ' A' ' 75' ' ' VAL . 66.7 t80 -61.03 -44.36 97.51 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.582 -178.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -59.38 -40.76 87.56 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.265 0.555 . . . . 0.0 109.55 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.615 ' O ' HD11 ' A' ' 61' ' ' LEU . 99.3 mt-10 -72.25 -40.74 67.48 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.297 175.746 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.615 ' CE1' HD21 ' A' ' 36' ' ' LEU . 31.8 t80 -60.4 -45.71 92.61 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.995 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.904 HG21 ' CB ' ' B' ' 79' ' ' ALA . 19.7 m -63.8 -43.02 97.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 C-N-CA 120.752 -0.379 . . . . 0.0 111.963 -177.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.464 HG22 ' O ' ' A' ' 73' ' ' GLU . 32.0 m -65.99 -36.33 77.23 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.689 0 CA-C-O 120.936 0.398 . . . . 0.0 110.69 179.341 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.732 HD23 HD21 ' A' ' 33' ' ' LEU . 56.6 tp -60.91 -48.43 81.83 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.006 -179.441 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.582 HG12 HD23 ' A' ' 37' ' ' LEU . 11.9 m -72.9 -41.28 60.66 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.907 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.325 176.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.807 ' CB ' HG21 ' B' ' 75' ' ' VAL . . . -62.58 -42.49 99.59 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.016 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.509 ' HB2' ' NE2' ' B' ' 72' ' ' GLN . . . -56.06 -47.65 77.53 Favored 'General case' 0 CA--C 1.514 -0.413 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 179.45 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.682 HD22 ' HG3' ' A' ' 48' ' ' GLN . 92.3 mt -63.17 -41.03 99.16 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.637 176.369 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.514 HG21 ' HB3' ' B' ' 8' ' ' MET . 21.0 m -61.36 -50.59 72.28 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.748 -179.066 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 14.6 p -64.02 -42.98 97.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 C-N-CA 119.823 -0.751 . . . . 0.0 110.355 178.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.08 -52.19 66.27 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.152 177.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 85.5 mmm -66.37 -42.68 87.62 Favored 'General case' 0 CA--C 1.515 -0.381 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 176.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.679 ' CG ' HG21 ' B' ' 12' ' ' ILE . 2.2 t-20 -63.29 -42.32 99.06 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 119.375 -0.93 . . . . 0.0 108.832 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -61.62 -39.54 91.63 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.941 175.078 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -60.14 -44.02 95.26 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.206 174.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -59.1 -43.26 91.86 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.299 178.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.516 ' NE1' ' OD1' ' A' ' 86' ' ' ASN . 63.1 m95 . . . . . 0 C--N 1.33 -0.264 0 C-N-CA 120.051 -0.659 . . . . 0.0 112.252 -177.333 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . 0.405 ' HB2' ' O ' ' A' ' 40' ' ' GLU . 16.8 m . . . . . 0 N--CA 1.451 -0.404 0 CA-C-O 120.891 0.377 . . . . 0.0 111.109 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -56.83 -26.88 59.26 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 175.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.798 HD11 HG21 ' A' ' 14' ' ' VAL . 51.5 mt -61.59 -42.01 98.25 Favored 'General case' 0 N--CA 1.441 -0.885 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.774 179.674 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -62.41 -40.94 98.17 Favored 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 178.046 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 7.4 m -63.6 -46.45 85.75 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 174.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.88 -46.59 84.64 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.309 -179.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . 0.82 ' SD ' HD11 ' A' ' 11' ' ' LEU . 94.5 mmm -63.8 -41.64 97.87 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.342 -0.543 . . . . 0.0 110.929 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' B' ' 13' ' ' ASN . 69.0 mt-10 -66.7 -35.63 80.59 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 119.534 -0.867 . . . . 0.0 110.674 174.779 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.453 ' HA ' HD22 ' B' ' 13' ' ' ASN . 12.6 m -57.95 -42.48 85.04 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 175.562 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.637 HD23 ' CD1' ' A' ' 4' ' ' LEU . 99.3 mt -62.37 -42.29 99.29 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 175.601 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.795 HG22 ' CD2' ' B' ' 16' ' ' HIS . 19.7 mm -63.22 -43.27 98.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 177.532 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' B' ' 9' ' ' GLU . 94.0 m-20 -60.37 -42.84 96.64 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.389 -175.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.86 HG21 HD21 ' A' ' 4' ' ' LEU . 99.6 t -64.33 -44.39 97.24 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.834 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 174.514 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.413 ' CE1' ' HB2' ' B' ' 28' ' ' LEU . 60.2 t80 -59.37 -47.85 83.85 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.982 -179.043 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.795 ' CD2' HG22 ' B' ' 12' ' ' ILE . 80.0 m-70 -59.22 -42.5 91.17 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.344 177.589 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.54 -48.53 71.89 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.701 -176.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.643 ' CD2' HD22 ' B' ' 36' ' ' LEU . 96.6 m-70 -68.6 -40.06 80.6 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.564 176.576 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 31.5 m -54.35 -34.14 60.5 Favored 'General case' 0 C--O 1.24 0.582 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 173.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.16 -33.22 78.9 Favored Glycine 0 CA--C 1.519 0.294 0 CA-C-N 115.08 -0.964 . . . . 0.0 110.725 175.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . 0.43 ' HB2' ' O ' ' B' ' 18' ' ' HIS . 21.6 mmtp -63.39 -44.85 93.52 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.833 0.349 . . . . 0.0 110.344 -177.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.425 ' HG3' ' H ' ' B' ' 24' ' ' ASP . 16.5 pt-20 -87.19 -39.33 15.58 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.705 -0.68 . . . . 0.0 112.058 -175.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 139.44 -24.15 2.8 Favored Glycine 0 CA--C 1.523 0.537 0 C-N-CA 120.498 -0.858 . . . . 0.0 112.714 177.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . 0.425 ' H ' ' HG3' ' B' ' 22' ' ' GLU . 7.4 t70 -71.39 152.94 42.68 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 117.253 0.526 . . . . 0.0 111.085 -178.208 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.606 ' H ' ' HD3' ' B' ' 25' ' ' LYS . 0.0 OUTLIER -67.59 -41.1 84.63 Favored 'General case' 0 C--O 1.245 0.858 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 174.58 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.571 ' HB3' ' CE1' ' B' ' 16' ' ' HIS . 1.6 p90 -153.92 93.08 1.61 Allowed 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.325 174.093 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 3.8 mmmm -156.94 155.46 31.39 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 106.416 -1.698 . . . . 0.0 106.416 166.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.562 HD21 HD23 ' B' ' 33' ' ' LEU . 51.2 tp -125.22 123.77 40.27 Favored 'General case' 0 C--N 1.298 -1.633 0 C-N-CA 119.412 -0.915 . . . . 0.0 110.937 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 7.5 p -88.96 167.48 13.16 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-O 121.171 0.51 . . . . 0.0 110.656 176.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.551 ' O ' ' NZ ' ' B' ' 34' ' ' LYS . 0.0 OUTLIER -72.61 -5.29 36.27 Favored 'General case' 0 C--N 1.311 -1.085 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 176.087 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 62.9 mttm -61.85 -42.07 98.59 Favored 'General case' 0 CA--C 1.505 -0.781 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.507 ' HB3' ' ND1' ' B' ' 18' ' ' HIS . 56.2 mm-40 -109.76 -35.19 6.25 Favored 'General case' 0 N--CA 1.437 -1.082 0 CA-C-N 114.141 -1.39 . . . . 0.0 111.255 -173.695 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.698 HD13 ' C ' ' B' ' 33' ' ' LEU . 2.5 tm? -57.1 -48.64 78.13 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 120.449 -0.5 . . . . 0.0 111.977 -168.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.551 ' NZ ' ' O ' ' B' ' 30' ' ' LYS . 25.3 pttm -64.61 -39.06 93.04 Favored 'General case' 0 C--N 1.314 -0.969 0 C-N-CA 119.67 -0.812 . . . . 0.0 110.837 179.492 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.457 ' O ' ' HG2' ' B' ' 38' ' ' GLN . 60.6 mm-40 -69.27 -49.92 51.65 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 109.098 -0.705 . . . . 0.0 109.098 179.423 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.643 HD22 ' CD2' ' B' ' 18' ' ' HIS . 0.1 OUTLIER -63.58 -46.29 86.53 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-N 115.714 -0.675 . . . . 0.0 112.185 178.273 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.667 HD23 HG12 ' B' ' 78' ' ' VAL . 2.8 tm? -62.15 -46.8 87.39 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 120.682 -0.407 . . . . 0.0 111.004 -175.248 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.457 ' HG2' ' O ' ' B' ' 35' ' ' GLU . 8.6 pt20 -66.22 -41.56 89.93 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 119.857 -0.737 . . . . 0.0 110.134 176.737 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 91.6 m -65.11 -54.25 32.8 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.791 -0.64 . . . . 0.0 112.523 -177.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.457 ' HB3' ' HB2' ' A' ' 4' ' ' LEU . 77.2 mm-40 -70.56 -37.83 74.06 Favored 'General case' 0 CA--C 1.511 -0.553 0 C-N-CA 119.985 -0.686 . . . . 0.0 112.26 -175.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.437 HD22 HD21 ' B' ' 37' ' ' LEU . 10.3 mp -95.1 34.57 1.37 Allowed 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.454 179.218 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 75.7 m -53.51 -43.38 68.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.611 -177.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -64.53 -47.02 88.43 Favored Glycine 0 C--N 1.321 -0.301 0 N-CA-C 110.769 -0.932 . . . . 0.0 110.769 178.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.556 ' HA ' ' SD ' ' B' ' 85' ' ' MET . 74.2 m-85 -64.58 -42.62 95.49 Favored 'General case' 0 CA--C 1.509 -0.618 0 CA-C-O 121.077 0.465 . . . . 0.0 110.058 177.627 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.606 ' O ' HD12 ' B' ' 45' ' ' LEU . 2.3 tp -61.07 -46.87 88.92 Favored 'General case' 0 N--CA 1.44 -0.933 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.557 177.192 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -63.81 -40.75 97.39 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-O 120.949 0.404 . . . . 0.0 110.685 176.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . 0.531 ' CB ' ' SD ' ' B' ' 85' ' ' MET . . . -66.87 -36.21 81.8 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.073 179.28 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.478 ' NE2' HG21 ' B' ' 51' ' ' VAL . 41.2 mm-40 -110.65 11.85 22.73 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.863 -174.044 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' B' ' 45' ' ' LEU . 0.0 OUTLIER -59.58 -45.03 93.06 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.333 0.587 . . . . 0.0 110.069 -177.545 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -94.34 20.77 7.79 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 115.057 -0.974 . . . . 0.0 110.404 -177.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . 0.622 ' O ' HG12 ' B' ' 54' ' ' VAL . 64.8 t -112.57 133.5 58.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.015 -177.083 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -59.16 -34.77 72.48 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.621 -175.357 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.486 ' H ' HG12 ' B' ' 51' ' ' VAL . . . -53.96 -35.44 61.79 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.885 -176.248 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.622 HG12 ' O ' ' B' ' 51' ' ' VAL . 7.7 p -58.47 -42.15 83.58 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 C-N-CA 119.815 -0.754 . . . . 0.0 109.871 -177.118 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.498 ' O ' ' N ' ' B' ' 59' ' ' LYS . 31.6 t70 -59.87 -50.15 74.91 Favored 'General case' 0 CA--C 1.506 -0.717 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.025 175.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 36.6 mttm -62.84 -43.41 98.88 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-N 115.169 -0.923 . . . . 0.0 111.221 -176.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.878 HG12 HD12 ' B' ' 77' ' ' LEU . 78.0 t -67.96 -46.25 82.23 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 CA-C-O 121.934 0.873 . . . . 0.0 109.355 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 67.3 ttp -67.26 -41.15 86.02 Favored 'General case' 0 C--N 1.305 -1.327 0 CA-C-N 114.64 -1.164 . . . . 0.0 111.878 178.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' B' ' 55' ' ' ASP . 24.1 tptp -54.25 -59.03 5.21 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.587 0.588 . . . . 0.0 112.587 -171.156 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -67.25 -40.25 86.24 Favored 'General case' 0 CA--C 1.515 -0.399 0 C-N-CA 119.625 -0.83 . . . . 0.0 111.6 -178.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.558 ' HG ' HD13 ' B' ' 77' ' ' LEU . 4.0 mm? -62.35 -42.2 99.2 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.36 -0.536 . . . . 0.0 110.315 178.63 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.405 ' HA ' ' CE ' ' B' ' 30' ' ' LYS . 28.6 t70 -63.11 -44.69 94.95 Favored 'General case' 0 N--CA 1.446 -0.639 0 C-N-CA 119.794 -0.762 . . . . 0.0 110.75 177.431 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -66.28 -42.11 88.89 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.179 0.514 . . . . 0.0 109.979 177.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . 0.497 ' C ' ' H ' ' B' ' 66' ' ' ASP . 89.5 m-20 -61.68 -40.86 96.45 Favored 'General case' 0 CA--C 1.502 -0.901 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.358 178.667 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -71.04 46.31 0.76 Allowed Glycine 0 N--CA 1.447 -0.61 0 N-CA-C 109.569 -1.412 . . . . 0.0 109.569 176.364 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.497 ' H ' ' C ' ' B' ' 64' ' ' ASN . 42.4 t0 -61.97 -35.0 77.17 Favored 'General case' 0 CA--C 1.502 -0.866 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -127.68 -53.44 0.13 Allowed Glycine 0 C--N 1.313 -0.719 0 N-CA-C 109.879 -1.288 . . . . 0.0 109.879 177.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -138.72 157.94 45.16 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 122.61 0.364 . . . . 0.0 110.402 -179.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.485 HG12 ' O ' ' B' ' 28' ' ' LEU . 2.4 p -121.49 125.89 74.14 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.999 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 169.484 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.555 ' CG ' ' N ' ' B' ' 71' ' ' PHE . 0.6 OUTLIER -93.21 174.37 7.25 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 122.174 -0.329 . . . . 0.0 111.646 -173.742 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.626 ' CD1' HD13 ' B' ' 12' ' ' ILE . 72.3 t80 -59.42 -46.14 89.57 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 120.727 0.299 . . . . 0.0 110.872 -175.187 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.509 ' NE2' ' HB2' ' A' ' 80' ' ' ALA . 7.5 mm100 -58.89 -39.29 80.99 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.337 0.589 . . . . 0.0 110.172 178.586 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -70.1 -41.79 73.55 Favored 'General case' 0 C--N 1.307 -1.242 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.749 176.123 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 28.3 t80 -61.46 -48.38 81.4 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.571 -0.74 . . . . 0.0 112.181 179.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.807 HG21 ' CB ' ' A' ' 79' ' ' ALA . 13.8 m -63.4 -42.75 97.42 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 C-N-CA 120.337 -0.545 . . . . 0.0 112.438 -177.781 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 11.8 p -64.57 -37.39 79.94 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.717 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.878 HD12 HG12 ' B' ' 57' ' ' VAL . 66.7 tp -61.14 -47.74 84.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.669 -179.026 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.667 HG12 HD23 ' B' ' 37' ' ' LEU . 19.7 m -70.54 -42.15 78.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 C-N-CA 120.254 -0.578 . . . . 0.0 110.91 176.15 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.904 ' CB ' HG21 ' A' ' 75' ' ' VAL . . . -60.88 -46.01 92.28 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.691 -178.277 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . 0.461 ' O ' HG12 ' B' ' 83' ' ' VAL . . . -61.97 -39.78 93.32 Favored 'General case' 0 N--CA 1.445 -0.721 0 C-N-CA 120.173 -0.611 . . . . 0.0 109.741 -179.472 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.652 ' HG ' HG11 ' B' ' 57' ' ' VAL . 97.9 mt -63.32 -41.51 98.92 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 172.233 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.47 ' HA ' ' CE1' ' B' ' 44' ' ' PHE . 17.7 m -62.11 -50.32 72.36 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.351 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.461 HG12 ' O ' ' B' ' 80' ' ' ALA . 1.4 p -63.48 -41.17 91.73 Favored 'Isoleucine or valine' 0 C--O 1.238 0.464 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.208 179.012 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -56.66 -50.93 70.62 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.333 178.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 85' ' ' MET . . . . . 0.556 ' SD ' ' HA ' ' B' ' 44' ' ' PHE . 34.6 ttp -66.37 -40.1 89.54 Favored 'General case' 0 CA--C 1.51 -0.587 0 C-N-CA 120.029 -0.668 . . . . 0.0 109.452 177.563 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.481 ' OD1' ' NE2' ' A' ' 16' ' ' HIS . 2.3 t-20 -62.0 -40.07 94.39 Favored 'General case' 0 N--CA 1.446 -0.651 0 C-N-CA 120.285 -0.566 . . . . 0.0 110.063 -177.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . 0.436 ' ND2' ' OH ' ' A' ' 26' ' ' TYR . 5.6 t-20 -59.77 -42.77 94.04 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 174.549 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -60.12 -44.59 94.76 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.763 172.044 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . 0.443 ' HB2' ' HA ' ' B' ' 86' ' ' ASN . 3.8 t80 . . . . . 0 C--N 1.312 -1.032 0 CA-C-N 115.241 -0.891 . . . . 0.0 111.093 -170.162 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.439 ' N ' ' OE1' ' A' ' 5' ' ' GLU . 4.3 m . . . . . 0 C--O 1.239 0.515 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.472 ' HB3' HG21 ' B' ' 10' ' ' THR . 56.4 mp0 -57.94 -43.39 86.33 Favored 'General case' 0 CA--C 1.514 -0.435 0 C-N-CA 120.526 -0.47 . . . . 0.0 110.068 -177.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.667 HD21 HG21 ' B' ' 14' ' ' VAL . 2.0 mm? -63.19 -43.12 99.07 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 178.744 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.439 ' OE1' ' N ' ' A' ' 2' ' ' SER . 64.4 mt-10 -64.45 -45.59 86.79 Favored 'General case' 0 C--N 1.311 -1.065 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 178.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 10' ' ' THR . 10.8 m -60.95 -44.44 97.28 Favored 'General case' 0 N--CA 1.44 -0.951 0 CA-C-N 115.134 -0.939 . . . . 0.0 109.271 175.329 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 3' ' ' GLU . . . -55.86 -48.91 74.7 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 176.642 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.511 ' SD ' HD11 ' B' ' 11' ' ' LEU . 96.2 mmm -64.54 -41.18 96.5 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.302 -0.559 . . . . 0.0 110.266 178.083 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.01 -38.77 89.87 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 176.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.466 HG22 HD13 ' B' ' 4' ' ' LEU . 10.7 m -59.77 -44.4 93.9 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 108.018 -1.105 . . . . 0.0 108.018 177.707 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.782 HD11 ' SD ' ' B' ' 8' ' ' MET . 94.5 mt -63.0 -40.9 99.16 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.745 175.069 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.546 HD13 ' CD1' ' A' ' 71' ' ' PHE . 26.5 mm -62.37 -44.4 99.17 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.67 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 177.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -60.4 -43.21 96.91 Favored 'General case' 0 CA--C 1.5 -0.957 0 C-N-CA 120.383 -0.527 . . . . 0.0 110.306 -178.067 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.986 HG21 HD21 ' B' ' 4' ' ' LEU . 94.2 t -66.54 -48.09 81.57 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.084 0 C-N-CA 120.492 -0.483 . . . . 0.0 110.028 176.661 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.521 ' CE2' ' HB2' ' A' ' 28' ' ' LEU . 61.8 t80 -59.21 -48.32 82.06 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.521 0.677 . . . . 0.0 109.38 177.005 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.472 ' N ' ' O ' ' A' ' 12' ' ' ILE . 0.9 OUTLIER -59.39 -46.6 88.21 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 114.897 -1.047 . . . . 0.0 109.836 -179.891 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.81 -47.85 81.63 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.707 179.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -66.49 -35.36 80.06 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.655 -0.418 . . . . 0.0 111.906 -179.3 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.423 ' OG ' ' O ' ' A' ' 27' ' ' LYS . 69.8 m -56.1 -41.22 74.89 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 170.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.1 -39.04 96.81 Favored Glycine 0 C--O 1.24 0.503 0 N-CA-C 110.629 -0.989 . . . . 0.0 110.629 174.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -62.53 -46.49 88.17 Favored 'General case' 0 CA--C 1.519 -0.241 0 N-CA-C 109.697 -0.482 . . . . 0.0 109.697 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.601 ' CD ' ' H ' ' A' ' 29' ' ' SER . 98.9 mt-10 -70.42 -38.4 74.59 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 176.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 122.64 -14.97 8.57 Favored Glycine 0 N--CA 1.462 0.389 0 CA-C-N 115.955 -0.566 . . . . 0.0 112.056 176.115 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -70.15 141.98 52.58 Favored 'General case' 0 CA--C 1.51 -0.584 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.191 178.36 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.431 ' HG3' ' CE1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -61.23 -41.14 96.36 Favored 'General case' 0 N--CA 1.445 -0.714 0 C-N-CA 120.691 -0.403 . . . . 0.0 110.048 179.308 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.436 ' O ' ' HG2' ' A' ' 27' ' ' LYS . 0.1 OUTLIER -154.89 93.6 1.57 Allowed 'General case' 0 C--O 1.239 0.545 0 CA-C-O 121.125 0.488 . . . . 0.0 111.4 170.063 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.436 ' HG2' ' O ' ' A' ' 26' ' ' TYR . 23.7 mmtm -163.51 158.94 21.45 Favored 'General case' 0 CA--C 1.503 -0.842 0 CA-C-N 114.362 -1.29 . . . . 0.0 109.559 173.339 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.553 HD21 HD23 ' A' ' 33' ' ' LEU . 41.9 tp -124.79 127.11 46.69 Favored 'General case' 0 C--N 1.308 -1.21 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 169.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.601 ' H ' ' CD ' ' A' ' 22' ' ' GLU . 2.0 m -100.39 -179.71 4.19 Favored 'General case' 0 C--N 1.309 -1.173 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 -179.76 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.564 ' NZ ' ' O ' ' A' ' 61' ' ' LEU . 10.0 mmmm -74.13 -4.77 37.75 Favored 'General case' 0 C--N 1.314 -0.955 0 O-C-N 121.959 -0.463 . . . . 0.0 111.924 -177.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.499 ' HG3' ' HB2' ' A' ' 29' ' ' SER . 0.2 OUTLIER -77.97 -73.87 0.29 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.072 0.463 . . . . 0.0 110.389 -178.166 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.466 ' O ' ' HB3' ' A' ' 36' ' ' LEU . 68.7 mm-40 -62.18 -32.6 73.25 Favored 'General case' 0 CA--C 1.508 -0.646 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.958 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.772 HD21 HD23 ' A' ' 77' ' ' LEU . 2.2 tm? -57.95 -43.71 86.54 Favored 'General case' 0 C--N 1.319 -0.759 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.305 -175.28 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.401 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 5.3 mtmp? -64.34 -47.85 77.79 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 119.698 -0.801 . . . . 0.0 109.624 177.038 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.1 mm-40 -73.06 -46.6 50.74 Favored 'General case' 0 CA--C 1.505 -0.776 0 CA-C-N 114.935 -1.029 . . . . 0.0 111.316 -171.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.583 HD13 ' CG1' ' A' ' 14' ' ' VAL . 0.1 OUTLIER -62.48 -43.46 98.77 Favored 'General case' 0 C--N 1.309 -1.162 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.292 179.681 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.799 HD23 HG12 ' A' ' 78' ' ' VAL . 2.8 tm? -62.07 -47.34 85.12 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.129 -0.628 . . . . 0.0 110.603 -178.693 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.587 ' HA ' HD22 ' A' ' 45' ' ' LEU . 14.5 pt20 -66.87 -41.04 87.95 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 119.927 -0.709 . . . . 0.0 110.443 176.497 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 91.0 m -63.61 -51.63 64.45 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.656 -177.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.871 ' HB3' HD23 ' B' ' 4' ' ' LEU . 55.2 mm-40 -79.61 -39.96 30.4 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 113.488 0.921 . . . . 0.0 113.488 -172.431 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.765 HD22 HD21 ' A' ' 37' ' ' LEU . 11.0 mp -87.2 44.5 1.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.163 0.506 . . . . 0.0 109.999 179.224 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -54.61 -42.31 71.03 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.944 -174.414 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.418 ' N ' ' OE2' ' B' ' 5' ' ' GLU . . . -71.6 -46.5 39.2 Favored Glycine 0 C--O 1.242 0.655 0 N-CA-C 111.56 -0.616 . . . . 0.0 111.56 179.493 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.493 ' O ' ' HG3' ' A' ' 48' ' ' GLN . 40.1 m-85 -68.26 -39.44 82.22 Favored 'General case' 0 CA--C 1.493 -1.233 0 CA-C-O 120.631 0.253 . . . . 0.0 110.617 178.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.587 HD22 ' HA ' ' A' ' 38' ' ' GLN . 43.6 tp -59.19 -45.9 89.84 Favored 'General case' 0 N--CA 1.437 -1.11 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.685 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.58 ' O ' ' NZ ' ' A' ' 49' ' ' LYS . 17.5 t70 -59.85 -44.68 93.99 Favored 'General case' 0 C--N 1.313 -0.981 0 C-N-CA 119.962 -0.695 . . . . 0.0 111.34 178.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.702 ' HB3' ' SD ' ' A' ' 85' ' ' MET . . . -66.3 -41.14 90.16 Favored 'General case' 0 C--N 1.314 -0.971 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 -178.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.788 HE22 HG21 ' A' ' 54' ' ' VAL . 0.0 OUTLIER -77.81 -3.22 40.33 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 -175.388 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.58 ' NZ ' ' O ' ' A' ' 46' ' ' ASP . 23.8 mtmm -59.82 -39.48 85.2 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.15 -0.62 . . . . 0.0 110.246 -174.651 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -102.58 21.76 14.74 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -177.199 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.57 ' O ' ' N ' ' A' ' 53' ' ' ALA . 9.7 t -110.84 2.33 8.96 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 CA-C-O 120.771 0.319 . . . . 0.0 111.795 -177.532 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 55' ' ' ASP . 18.7 t70 58.39 -40.75 0.06 Allowed 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.603 0.761 . . . . 0.0 112.974 -179.461 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.57 ' N ' ' O ' ' A' ' 51' ' ' VAL . . . -45.92 -31.09 1.99 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.925 0.393 . . . . 0.0 110.839 -175.462 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.788 HG21 HE22 ' A' ' 48' ' ' GLN . 7.2 p -58.74 -42.97 86.79 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.902 0 C-N-CA 120.421 -0.512 . . . . 0.0 110.085 177.565 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' A' ' 52' ' ' ASP . 28.2 t70 -57.83 -51.57 69.04 Favored 'General case' 0 CA--C 1.502 -0.89 0 CA-C-O 121.486 0.66 . . . . 0.0 109.725 177.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.42 ' NZ ' ' OD2' ' A' ' 52' ' ' ASP . 43.5 mmtm -66.82 -43.99 82.35 Favored 'General case' 0 C--N 1.309 -1.183 0 CA-C-N 114.771 -1.104 . . . . 0.0 110.611 -176.225 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.63 HG12 HD12 ' A' ' 77' ' ' LEU . 60.0 t -67.14 -44.41 87.93 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.524 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.711 177.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.435 ' CB ' ' O ' ' A' ' 54' ' ' VAL . 44.5 ttp -60.86 -41.26 95.54 Favored 'General case' 0 N--CA 1.432 -1.375 0 CA-C-N 115.34 -0.845 . . . . 0.0 109.886 177.441 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.524 ' O ' ' N ' ' A' ' 63' ' ' GLU . 13.7 tttm -63.73 -37.02 85.8 Favored 'General case' 0 N--CA 1.435 -1.214 0 C-N-CA 120.008 -0.677 . . . . 0.0 112.71 178.138 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.405 ' O ' ' HB2' ' A' ' 63' ' ' GLU . 72.8 mm-40 -53.59 -42.09 67.26 Favored 'General case' 0 C--N 1.312 -1.054 0 C-N-CA 119.438 -0.905 . . . . 0.0 109.276 177.646 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.76 ' HG ' HD22 ' A' ' 77' ' ' LEU . 2.3 mm? -64.47 -38.39 90.86 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.39 172.633 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.496 ' HB3' ' HG3' ' A' ' 59' ' ' LYS . 29.1 t70 -61.78 -39.75 92.78 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.536 174.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.524 ' N ' ' O ' ' A' ' 59' ' ' LYS . 72.0 mm-40 -58.82 -43.57 90.66 Favored 'General case' 0 CA--C 1.507 -0.68 0 N-CA-C 106.851 -1.536 . . . . 0.0 106.851 174.548 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.581 ' C ' ' H ' ' A' ' 66' ' ' ASP . 11.1 t-20 -64.3 -9.76 19.65 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 114.296 -1.32 . . . . 0.0 110.489 176.021 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.445 ' H ' ' C ' ' A' ' 62' ' ' ASP . . . -58.53 1.73 0.26 Allowed Glycine 0 CA--C 1.518 0.273 0 N-CA-C 109.988 -1.245 . . . . 0.0 109.988 172.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.581 ' H ' ' C ' ' A' ' 64' ' ' ASN . 37.7 t70 -58.55 -42.31 87.56 Favored 'General case' 0 CA--C 1.5 -0.969 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 175.193 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -147.42 -90.9 0.1 OUTLIER Glycine 0 N--CA 1.443 -0.841 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.395 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -142.04 166.68 24.04 Favored 'General case' 0 C--O 1.239 0.541 0 C-N-CA 122.542 0.337 . . . . 0.0 111.444 -175.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.713 HG23 ' HB2' ' A' ' 73' ' ' GLU . 1.0 OUTLIER -118.44 130.02 73.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.45 0.643 . . . . 0.0 110.421 179.011 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -97.05 -172.9 2.55 Favored 'General case' 0 CA--C 1.508 -0.665 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.492 -179.119 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.546 ' CD1' HD13 ' A' ' 12' ' ' ILE . 48.8 t80 -60.23 -44.38 95.25 Favored 'General case' 0 C--N 1.307 -1.244 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.541 -179.053 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.494 ' O ' HG22 ' A' ' 75' ' ' VAL . 52.7 mt-30 -59.53 -46.0 90.13 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.086 0.469 . . . . 0.0 110.06 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.713 ' HB2' HG23 ' A' ' 69' ' ' VAL . 97.6 mt-10 -69.25 -37.21 77.84 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.397 0.617 . . . . 0.0 110.305 178.435 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 30.3 t80 -60.65 -48.0 83.75 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.728 175.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.728 HG21 ' CB ' ' B' ' 79' ' ' ALA . 19.4 m -63.24 -41.9 94.47 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 C-N-CA 119.883 -0.727 . . . . 0.0 111.772 -178.333 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.41 HG12 ' O ' ' A' ' 73' ' ' GLU . 12.7 p -64.22 -37.43 79.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 C-N-CA 120.118 -0.633 . . . . 0.0 110.872 -179.101 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.772 HD23 HD21 ' A' ' 33' ' ' LEU . 50.2 tp -61.13 -49.89 75.44 Favored 'General case' 0 CA--C 1.517 -0.312 0 C-N-CA 120.177 -0.609 . . . . 0.0 110.2 179.721 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.799 HG12 HD23 ' A' ' 37' ' ' LEU . 20.6 m -67.41 -42.73 87.62 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.645 0 C-N-CA 119.884 -0.727 . . . . 0.0 110.288 176.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.888 ' CB ' HG21 ' B' ' 75' ' ' VAL . . . -62.64 -43.29 99.18 Favored 'General case' 0 CA--C 1.506 -0.728 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.111 -179.755 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.24 -47.3 84.0 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.557 HD21 ' HA ' ' A' ' 54' ' ' VAL . 89.5 mt -62.98 -42.12 99.75 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.92 175.119 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 18.1 m -61.99 -50.76 70.77 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.499 -179.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.751 HG11 ' HG3' ' B' ' 72' ' ' GLN . 8.1 p -66.28 -37.01 78.76 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.347 0 C-N-CA 120.208 -0.597 . . . . 0.0 110.859 177.706 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -58.56 -52.51 65.36 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.416 178.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.702 ' SD ' ' HB3' ' A' ' 47' ' ' ALA . 18.9 ttp -67.97 -43.67 78.47 Favored 'General case' 0 CA--C 1.51 -0.595 0 C-N-CA 119.672 -0.811 . . . . 0.0 109.504 176.664 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.541 ' O ' ' CD1' ' A' ' 90' ' ' TRP . 85.9 m-20 -64.74 -22.54 67.0 Favored 'General case' 0 CA--C 1.504 -0.821 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.844 -176.036 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.418 ' N ' ' O ' ' A' ' 83' ' ' VAL . 31.1 t-20 -45.82 -42.82 12.76 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 176.074 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -62.22 -44.57 96.27 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.564 173.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.51 ' N ' ' O ' ' A' ' 86' ' ' ASN . 0.3 OUTLIER -58.99 -48.4 81.71 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 -175.563 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.596 ' CH2' HG23 ' B' ' 12' ' ' ILE . 6.1 m95 . . . . . 0 CA--C 1.508 -0.638 0 C-N-CA 118.815 -1.154 . . . . 0.0 108.49 -175.055 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 71.3 m . . . . . 0 N--CA 1.448 -0.553 0 CA-C-O 121.448 0.642 . . . . 0.0 112.399 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -55.89 -23.96 34.5 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.195 -179.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.986 HD21 HG21 ' A' ' 14' ' ' VAL . 1.2 mm? -60.23 -40.8 91.47 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 -179.437 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . 0.441 ' HG2' ' HD2' ' A' ' 44' ' ' PHE . 94.1 mt-10 -60.4 -45.29 94.13 Favored 'General case' 0 N--CA 1.437 -1.077 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 179.486 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 11.1 m -61.95 -46.03 91.07 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 174.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.419 ' HB1' ' HB1' ' A' ' 7' ' ' ALA . . . -55.91 -50.66 70.08 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.19 178.6 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . 0.782 ' SD ' HD11 ' A' ' 11' ' ' LEU . 95.6 mmm -65.4 -40.85 93.91 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.104 179.412 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 -64.58 -37.61 88.17 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.188 177.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.472 HG21 ' HB3' ' A' ' 3' ' ' GLU . 8.1 m -58.87 -44.44 91.08 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 178.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.608 HD23 HD12 ' A' ' 4' ' ' LEU . 84.0 mt -62.21 -40.96 97.85 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.82 174.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.596 HG23 ' CH2' ' A' ' 90' ' ' TRP . 15.9 mm -62.41 -44.77 99.58 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.177 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 178.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 60.1 m-80 -62.53 -42.84 99.79 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.131 0.491 . . . . 0.0 109.838 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.667 HG21 HD21 ' A' ' 4' ' ' LEU . 45.0 t -63.67 -47.25 92.05 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.188 175.364 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.509 ' CE2' ' HB2' ' B' ' 28' ' ' LEU . 57.4 t80 -58.06 -45.14 87.57 Favored 'General case' 0 C--N 1.313 -1.011 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 178.254 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.433 ' CD2' ' CE3' ' A' ' 90' ' ' TRP . 0.9 OUTLIER -53.26 -48.33 68.37 Favored 'General case' 0 C--O 1.24 0.591 0 CA-C-N 114.824 -1.08 . . . . 0.0 109.93 178.51 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.82 -46.08 86.73 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.969 -178.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.697 ' CD2' HD13 ' B' ' 36' ' ' LEU . 84.7 m-70 -66.69 -38.8 87.5 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 -176.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 73.8 m -54.6 -42.44 71.11 Favored 'General case' 0 C--O 1.243 0.729 0 CA-C-O 121.469 0.652 . . . . 0.0 109.793 177.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.11 -37.43 93.91 Favored Glycine 0 C--N 1.317 -0.524 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.376 179.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 61.9 mttm -63.31 -45.01 93.31 Favored 'General case' 0 C--O 1.242 0.664 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -177.194 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.62 ' HG3' ' CG ' ' B' ' 32' ' ' GLU . 72.2 mt-10 -73.04 -43.4 62.04 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.343 -0.543 . . . . 0.0 109.673 177.187 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 143.9 -25.7 2.08 Favored Glycine 0 CA--C 1.522 0.53 0 C-N-CA 120.997 -0.62 . . . . 0.0 113.145 175.003 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -64.38 142.18 58.51 Favored 'General case' 0 CA--C 1.511 -0.558 0 CA-C-N 117.876 0.838 . . . . 0.0 111.127 -177.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.498 ' HD2' ' CE1' ' B' ' 26' ' ' TYR . 25.8 pttt -60.46 -44.17 96.13 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.32 177.645 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.498 ' CE1' ' HD2' ' B' ' 25' ' ' LYS . 1.2 p90 -156.82 90.72 1.16 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.349 170.073 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.452 ' HA ' ' HD2' ' B' ' 27' ' ' LYS . 25.6 mmmt -166.36 169.09 14.41 Favored 'General case' 0 CA--C 1.505 -0.763 0 C-N-CA 125.436 1.495 . . . . 0.0 107.078 171.11 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.509 ' HB2' ' CE2' ' B' ' 15' ' ' PHE . 37.5 tp -125.0 130.15 51.77 Favored 'General case' 0 C--N 1.31 -1.149 0 C-N-CA 119.904 -0.718 . . . . 0.0 110.481 174.776 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -97.19 -177.33 3.81 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 177.542 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.468 ' N ' ' HD2' ' B' ' 30' ' ' LYS . 0.5 OUTLIER -82.53 -3.4 55.87 Favored 'General case' 0 C--N 1.308 -1.209 0 O-C-N 121.93 -0.481 . . . . 0.0 112.004 -173.554 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.544 ' HD2' ' HG2' ' B' ' 22' ' ' GLU . 15.1 mttm -77.8 -65.77 0.93 Allowed 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 -177.567 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.62 ' CG ' ' HG3' ' B' ' 22' ' ' GLU . 62.4 mm-40 -65.56 -35.4 80.74 Favored 'General case' 0 C--O 1.206 -1.192 0 CA-C-N 115.166 -0.925 . . . . 0.0 112.217 -179.77 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.693 HD21 HD23 ' B' ' 77' ' ' LEU . 2.1 tm? -56.32 -44.96 80.49 Favored 'General case' 0 C--N 1.31 -1.112 0 C-N-CA 120.57 -0.452 . . . . 0.0 111.319 -170.222 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.455 ' NZ ' ' O ' ' B' ' 30' ' ' LYS . 30.8 mttp -63.57 -45.21 91.49 Favored 'General case' 0 C--N 1.318 -0.8 0 C-N-CA 119.335 -0.946 . . . . 0.0 109.027 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.532 ' HG3' ' O ' ' B' ' 31' ' ' LYS . 1.0 OUTLIER -71.13 -39.07 72.23 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.82 -1.082 . . . . 0.0 110.584 -178.843 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.697 HD13 ' CD2' ' B' ' 18' ' ' HIS . 2.0 tp -60.04 -47.15 87.05 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.731 178.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.846 HD21 HD22 ' B' ' 41' ' ' LEU . 2.6 tm? -62.61 -46.45 88.23 Favored 'General case' 0 C--N 1.314 -0.968 0 C-N-CA 120.209 -0.596 . . . . 0.0 111.028 -178.388 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.777 ' HB2' HD22 ' B' ' 45' ' ' LEU . 14.8 pt20 -64.93 -40.09 94.5 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 119.622 -0.831 . . . . 0.0 110.588 176.473 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 77.3 m -62.79 -49.52 74.65 Favored 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 -175.002 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.632 ' HG2' HD12 ' B' ' 36' ' ' LEU . 35.8 mm-40 -83.4 -36.79 24.02 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.449 -0.5 . . . . 0.0 111.833 -174.122 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.846 HD22 HD21 ' B' ' 37' ' ' LEU . 10.6 mp -91.87 45.07 1.2 Allowed 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.498 -178.643 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 15.2 m -52.1 -44.22 64.31 Favored 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 111.83 0.307 . . . . 0.0 111.83 -172.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.81 -45.24 53.35 Favored Glycine 0 CA--C 1.528 0.896 0 N-CA-C 111.277 -0.729 . . . . 0.0 111.277 178.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.512 ' CZ ' HG23 ' B' ' 82' ' ' THR . 29.9 m-85 -64.82 -37.21 86.84 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-O 120.972 0.415 . . . . 0.0 110.039 176.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.777 HD22 ' HB2' ' B' ' 38' ' ' GLN . 2.3 tp -58.26 -46.43 86.01 Favored 'General case' 0 CA--C 1.505 -0.759 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.765 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.466 ' O ' ' NZ ' ' B' ' 49' ' ' LYS . 38.7 t70 -63.88 -42.72 97.43 Favored 'General case' 0 C--N 1.312 -1.063 0 C-N-CA 119.925 -0.71 . . . . 0.0 110.704 178.773 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.41 -41.12 80.87 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.964 -0.562 . . . . 0.0 112.071 -179.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.496 ' HG3' ' O ' ' B' ' 45' ' ' LEU . 0.1 OUTLIER -70.88 -7.01 42.59 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 120.443 -0.503 . . . . 0.0 111.583 -176.631 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.466 ' NZ ' ' O ' ' B' ' 46' ' ' ASP . 22.6 mtmm -59.57 -38.38 81.0 Favored 'General case' 0 CA--C 1.512 -0.485 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 -179.249 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -109.44 36.73 2.83 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.768 -176.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . 0.603 ' O ' HG12 ' B' ' 54' ' ' VAL . 54.3 t -119.51 132.8 68.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 178.459 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.472 ' OD1' ' NZ ' ' B' ' 56' ' ' LYS . 33.4 t70 -62.77 -39.06 93.01 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 112.405 0.52 . . . . 0.0 112.405 -176.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.448 ' O ' HG23 ' B' ' 57' ' ' VAL . . . -61.09 -36.0 78.5 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 113.375 0.879 . . . . 0.0 113.375 -171.499 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.603 HG12 ' O ' ' B' ' 51' ' ' VAL . 7.7 p -53.58 -45.12 59.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 C-N-CA 120.324 -0.55 . . . . 0.0 111.0 -173.134 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -61.56 -39.95 92.95 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.651 -0.499 . . . . 0.0 109.651 178.053 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . 0.472 ' NZ ' ' OD1' ' B' ' 52' ' ' ASP . 36.9 mmtm -68.99 -44.55 72.6 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.911 179.371 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.448 HG23 ' O ' ' B' ' 53' ' ' ALA . 77.3 t -62.42 -43.9 98.7 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.647 -176.237 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 23.4 ptp -63.39 -15.26 57.02 Favored 'General case' 0 C--N 1.317 -0.835 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.813 -177.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . 0.546 ' O ' ' HG2' ' B' ' 63' ' ' GLU . 0.1 OUTLIER -60.79 -47.53 85.92 Favored 'General case' 0 CA--C 1.503 -0.864 0 C-N-CA 120.39 -0.524 . . . . 0.0 109.712 -178.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 53.2 mp0 -61.31 -39.9 92.21 Favored 'General case' 0 CA--C 1.509 -0.614 0 O-C-N 123.54 0.525 . . . . 0.0 109.678 179.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.483 ' CD2' HD13 ' B' ' 77' ' ' LEU . 3.7 mm? -62.05 -40.76 96.84 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 175.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.482 ' HB3' ' NZ ' ' B' ' 59' ' ' LYS . 28.9 t70 -64.22 -42.16 96.71 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.733 173.568 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . 0.546 ' HG2' ' O ' ' B' ' 59' ' ' LYS . 75.2 mm-40 -59.49 -44.21 93.13 Favored 'General case' 0 CA--C 1.505 -0.772 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 176.662 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . 0.459 ' O ' ' NZ ' ' B' ' 30' ' ' LYS . 24.4 t-20 -67.82 6.36 0.7 Allowed 'General case' 0 C--N 1.31 -1.145 0 CA-C-N 113.728 -1.578 . . . . 0.0 110.543 175.319 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . 0.433 ' H ' ' C ' ' B' ' 63' ' ' GLU . . . -79.58 -8.47 87.71 Favored Glycine 0 C--O 1.235 0.201 0 N-CA-C 109.896 -1.282 . . . . 0.0 109.896 178.125 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -64.25 -37.69 88.38 Favored 'General case' 0 CA--C 1.499 -1.001 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 173.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -132.16 -131.34 3.21 Favored Glycine 0 C--N 1.305 -1.142 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 -177.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -120.09 172.54 7.69 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-O 121.542 0.687 . . . . 0.0 111.614 -178.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.929 HG23 ' HB2' ' B' ' 73' ' ' GLU . 0.5 OUTLIER -122.66 135.29 63.22 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 CA-C-N 114.496 -1.229 . . . . 0.0 107.879 177.48 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.469 ' HA ' ' CZ ' ' B' ' 15' ' ' PHE 0.254 7.1 p30 -120.9 -156.75 0.69 Allowed 'General case' 0 C--N 1.305 -1.363 0 C-N-CA 118.899 -1.12 . . . . 0.0 110.907 175.251 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.624 ' O ' HG22 ' B' ' 75' ' ' VAL . 43.0 t80 -59.15 -42.55 90.96 Favored 'General case' 0 C--N 1.289 -2.061 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 -174.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.751 ' HG3' HG11 ' A' ' 83' ' ' VAL . 47.7 mt-30 -61.82 -44.82 96.09 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.835 179.025 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.929 ' HB2' HG23 ' B' ' 69' ' ' VAL . 55.2 mp0 -70.14 -38.69 75.58 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 120.206 -0.597 . . . . 0.0 110.49 175.267 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . 0.624 ' CE1' HD21 ' B' ' 36' ' ' LEU . 24.1 t80 -61.53 -47.59 84.89 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.022 -0.535 . . . . 0.0 112.379 -178.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.888 HG21 ' CB ' ' A' ' 79' ' ' ALA . 17.5 m -63.31 -41.71 93.75 Favored 'Isoleucine or valine' 0 C--O 1.237 0.413 0 C-N-CA 120.222 -0.591 . . . . 0.0 112.255 -178.038 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.412 ' O ' ' N ' ' B' ' 80' ' ' ALA . 10.2 p -64.43 -39.21 84.76 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 C-N-CA 120.576 -0.45 . . . . 0.0 111.098 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.693 HD23 HD21 ' B' ' 33' ' ' LEU . 58.3 tp -61.23 -48.52 81.1 Favored 'General case' 0 CA--C 1.516 -0.34 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.654 -179.174 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.759 HG12 HD23 ' B' ' 37' ' ' LEU . 17.5 m -67.93 -41.85 85.11 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.815 0 C-N-CA 119.911 -0.716 . . . . 0.0 110.389 177.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.728 ' CB ' HG21 ' A' ' 75' ' ' VAL . . . -63.81 -41.36 97.89 Favored 'General case' 0 CA--C 1.51 -0.579 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.989 178.066 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . 0.461 ' O ' HG12 ' B' ' 83' ' ' VAL . . . -57.7 -48.6 79.09 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 178.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' B' ' 81' ' ' LEU . 88.3 mt -63.14 -42.82 99.55 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.319 175.393 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.639 HG22 ' OD1' ' B' ' 86' ' ' ASN . 9.4 m -63.53 -49.91 71.62 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.655 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.461 HG12 ' O ' ' B' ' 80' ' ' ALA . 1.6 p -60.94 -43.71 96.49 Favored 'Isoleucine or valine' 0 C--O 1.238 0.496 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.465 178.416 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -58.28 -48.2 81.22 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 176.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 39.7 tpp -64.42 -40.0 94.91 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.19 178.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.639 ' OD1' HG22 ' B' ' 82' ' ' THR . 13.7 m120 -61.37 -37.7 84.3 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.948 -177.472 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -46.33 -41.71 13.72 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-O 120.956 0.407 . . . . 0.0 110.232 -177.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -60.35 -47.23 86.94 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.687 171.129 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . 0.534 ' N ' ' O ' ' B' ' 86' ' ' ASN . 5.8 t80 . . . . . 0 C--N 1.312 -1.056 0 CA-C-N 115.627 -0.715 . . . . 0.0 112.392 -173.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 m . . . . . 0 N--CA 1.443 -0.816 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 56.8 mp0 -57.08 -41.14 78.26 Favored 'General case' 0 C--N 1.318 -0.773 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.231 -178.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.865 HD12 HD23 ' B' ' 11' ' ' LEU . 2.3 mm? -61.17 -44.17 97.72 Favored 'General case' 0 CA--C 1.514 -0.423 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 177.49 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 69.1 mt-10 -64.87 -44.18 90.55 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.572 179.032 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.0 m -61.96 -46.48 89.07 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.4 176.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.82 -48.68 77.44 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.059 -0.518 . . . . 0.0 109.851 178.047 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.686 ' HB3' HG21 ' B' ' 82' ' ' THR . 96.8 mmm -64.37 -41.87 96.47 Favored 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 120.481 -0.488 . . . . 0.0 111.038 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 84.9 mt-10 -65.89 -35.39 80.51 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 120.243 -0.583 . . . . 0.0 110.445 175.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 21.4 m -58.02 -43.69 86.85 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 175.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 1.014 HD23 HD12 ' B' ' 4' ' ' LEU . 84.1 mt -62.37 -40.03 95.12 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.257 174.231 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.749 HG21 ' OD1' ' B' ' 86' ' ' ASN . 24.3 mm -61.98 -44.36 98.82 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 179.257 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 37.9 m-80 -60.6 -42.82 97.53 Favored 'General case' 0 CA--C 1.508 -0.656 0 CA-C-O 120.925 0.393 . . . . 0.0 110.142 -176.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.707 HG11 ' HG2' ' A' ' 40' ' ' GLU . 84.4 t -67.54 -43.39 87.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.708 174.319 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.418 ' CE1' ' HB2' ' A' ' 28' ' ' LEU . 77.4 t80 -57.32 -48.07 79.9 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 -179.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.434 ' HD1' ' HA ' ' A' ' 16' ' ' HIS . 3.5 m-70 -66.54 -36.54 82.94 Favored 'General case' 0 CA--C 1.505 -0.767 0 CA-C-N 115.81 -0.632 . . . . 0.0 112.397 176.39 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.09 -44.95 67.97 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 177.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.514 ' CD2' HD13 ' A' ' 36' ' ' LEU . 96.6 m-70 -73.75 -35.39 65.02 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 116.001 -0.545 . . . . 0.0 112.047 174.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 34.0 m -51.44 -34.85 36.99 Favored 'General case' 0 N--CA 1.481 1.083 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 175.1 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.66 -33.41 86.61 Favored Glycine 0 CA--C 1.523 0.537 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.359 179.011 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -63.76 -45.66 88.82 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.432 0.634 . . . . 0.0 109.512 -176.031 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.42 ' H ' ' HG3' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -88.06 -48.77 7.49 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.24 -179.415 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.5 29.06 20.29 Favored Glycine 0 CA--C 1.529 0.952 0 CA-C-O 119.483 -0.621 . . . . 0.0 113.791 172.109 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -58.87 -46.03 88.78 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 173.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.445 ' NZ ' ' OH ' ' A' ' 26' ' ' TYR . 34.5 pttt 144.16 -53.46 0.01 OUTLIER 'General case' 0 CA--C 1.503 -0.835 0 C-N-CA 127.345 2.258 . . . . 0.0 108.992 175.445 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.531 ' O ' ' HG2' ' A' ' 27' ' ' LYS . 1.7 p90 -148.91 92.87 2.03 Favored 'General case' 0 N--CA 1.44 -0.948 0 CA-C-N 115.062 -0.972 . . . . 0.0 110.921 167.6 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.531 ' HG2' ' O ' ' A' ' 26' ' ' TYR . 1.0 OUTLIER -164.2 176.87 8.81 Favored 'General case' 0 C--N 1.31 -1.115 0 N-CA-C 105.697 -1.964 . . . . 0.0 105.697 174.373 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.491 HD21 HD23 ' A' ' 36' ' ' LEU . 51.7 tp -129.14 125.86 38.03 Favored 'General case' 0 C--N 1.305 -1.337 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 168.464 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.5 p -84.72 161.6 19.97 Favored 'General case' 0 N--CA 1.428 -1.554 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 178.385 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.576 ' NZ ' ' O ' ' A' ' 65' ' ' GLY . 8.0 mmmm -71.14 -5.5 32.21 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-O 121.17 0.51 . . . . 0.0 109.7 179.59 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 57.7 mttm -60.93 -47.42 86.52 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.134 -175.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.503 ' O ' ' N ' ' A' ' 36' ' ' LEU . 48.0 mm-40 -98.09 -24.41 15.33 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 114.235 -1.348 . . . . 0.0 111.796 -173.01 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.654 HD21 HD23 ' A' ' 77' ' ' LEU . 3.1 tm? -57.43 -46.97 82.97 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -167.733 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.485 ' HG3' ' N ' ' A' ' 35' ' ' GLU . 25.7 pttm -59.57 -45.31 92.22 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.494 0.664 . . . . 0.0 109.487 179.437 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.485 ' N ' ' HG3' ' A' ' 34' ' ' LYS . 82.2 mt-10 -68.68 -43.55 75.9 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 114.978 -1.01 . . . . 0.0 109.355 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.596 HD21 ' CE1' ' A' ' 74' ' ' TYR . 3.8 tp -61.24 -48.93 79.22 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-N 114.764 -1.107 . . . . 0.0 111.864 -178.496 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.816 HD21 HD12 ' A' ' 81' ' ' LEU . 2.0 tm? -62.27 -47.02 86.2 Favored 'General case' 0 C--N 1.31 -1.148 0 C-N-CA 119.756 -0.777 . . . . 0.0 110.721 -176.353 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.536 ' HA ' HD22 ' A' ' 45' ' ' LEU . 15.7 pt20 -66.35 -40.97 90.14 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 120.386 -0.525 . . . . 0.0 110.805 177.197 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.406 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 65.6 m -62.95 -52.1 64.31 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.417 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.707 ' HG2' HG11 ' A' ' 14' ' ' VAL . 0.2 OUTLIER -69.65 -40.38 76.51 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -178.199 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.556 HD22 HD21 ' A' ' 37' ' ' LEU . 10.7 mp -94.45 46.02 1.14 Allowed 'General case' 0 C--N 1.311 -1.079 0 C-N-CA 120.983 -0.287 . . . . 0.0 111.571 -178.103 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.5 m -56.92 -44.09 82.07 Favored 'General case' 0 C--O 1.241 0.606 0 C-N-CA 120.143 -0.623 . . . . 0.0 110.452 -175.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.43 -45.39 54.62 Favored Glycine 0 C--N 1.316 -0.551 0 N-CA-C 111.494 -0.642 . . . . 0.0 111.494 178.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.445 ' HD1' ' SD ' ' A' ' 85' ' ' MET . 39.3 m-85 -69.0 -41.47 77.77 Favored 'General case' 0 CA--C 1.505 -0.751 0 CA-C-O 121.212 0.53 . . . . 0.0 110.796 -178.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.536 HD22 ' HA ' ' A' ' 38' ' ' GLN . 43.0 tp -61.87 -46.64 88.54 Favored 'General case' 0 N--CA 1.436 -1.164 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.969 178.552 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -63.91 -42.41 97.41 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.105 0.479 . . . . 0.0 111.394 178.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.556 ' HB3' ' HG3' ' A' ' 85' ' ' MET . . . -61.7 -44.49 96.83 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.591 -0.731 . . . . 0.0 112.816 -174.005 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.499 ' HG2' ' HB2' ' A' ' 85' ' ' MET . 1.4 pp0? -114.8 41.96 2.26 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 -176.654 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.413 ' HG3' ' O ' ' A' ' 45' ' ' LEU . 8.9 mtpm? -62.2 -40.62 96.68 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.329 0.585 . . . . 0.0 109.627 174.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -65.77 -20.54 66.3 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.157 -0.929 . . . . 0.0 111.613 -176.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.584 ' O ' HG12 ' A' ' 54' ' ' VAL . 3.8 t -77.95 102.94 4.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 178.704 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -47.74 -30.53 3.96 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.552 -176.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.737 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -54.38 -29.08 47.42 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.683 179.333 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.584 HG12 ' O ' ' A' ' 51' ' ' VAL . 9.7 p -58.38 -44.7 89.11 Favored 'Isoleucine or valine' 0 C--O 1.234 0.255 0 C-N-CA 120.162 -0.615 . . . . 0.0 109.405 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.426 ' N ' HG13 ' A' ' 54' ' ' VAL . 21.8 t70 -60.89 -48.55 81.3 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-O 121.648 0.737 . . . . 0.0 109.749 177.623 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 47.6 mttp -64.54 -40.42 95.57 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 114.73 -1.123 . . . . 0.0 111.647 -179.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.737 HG23 ' O ' ' A' ' 53' ' ' ALA . 69.6 t -59.52 -45.23 94.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 178.508 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.782 ' SD ' HD12 ' A' ' 37' ' ' LEU . 7.2 mmm -61.01 -43.88 98.23 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.161 176.62 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.439 ' O ' ' HG3' ' A' ' 63' ' ' GLU . 28.4 ttpp -66.55 -50.91 61.6 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.038 -0.983 . . . . 0.0 112.361 -179.377 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -62.27 -45.42 93.35 Favored 'General case' 0 C--N 1.304 -1.388 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.826 -172.128 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.471 ' HG ' ' HB2' ' A' ' 77' ' ' LEU . 3.6 mm? -64.4 -39.55 94.08 Favored 'General case' 0 C--N 1.307 -1.272 0 C-N-CA 120.007 -0.677 . . . . 0.0 109.812 174.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.486 ' HA ' ' CE ' ' A' ' 30' ' ' LYS . 34.4 t70 -60.97 -42.02 97.53 Favored 'General case' 0 CA--C 1.51 -0.562 0 C-N-CA 120.438 -0.505 . . . . 0.0 110.776 177.114 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.439 ' HG3' ' O ' ' A' ' 59' ' ' LYS . 48.8 mt-10 -63.73 -40.87 97.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.944 0.402 . . . . 0.0 110.101 179.217 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.28 -43.71 98.2 Favored 'General case' 0 CA--C 1.505 -0.765 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.4 173.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.576 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . . . -73.63 49.67 1.69 Allowed Glycine 0 CA--C 1.505 -0.577 0 N-CA-C 110.221 -1.152 . . . . 0.0 110.221 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -63.4 -36.89 85.21 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 -178.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -96.96 -64.37 0.91 Allowed Glycine 0 C--N 1.32 -0.333 0 N-CA-C 110.373 -1.091 . . . . 0.0 110.373 176.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -143.0 -179.99 6.69 Favored 'General case' 0 CA--C 1.508 -0.64 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 178.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.524 HG11 ' HB2' ' A' ' 33' ' ' LEU . 2.4 p -122.49 128.38 75.36 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.916 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 168.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.601 ' CG ' ' N ' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -100.9 175.54 5.58 Favored 'General case' 0 C--N 1.314 -0.948 0 C-N-CA 120.501 -0.48 . . . . 0.0 111.767 -176.734 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.634 ' CD1' HD13 ' A' ' 12' ' ' ILE . 77.9 t80 -60.24 -45.5 93.03 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.029 -177.069 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.466 ' O ' HG22 ' A' ' 75' ' ' VAL . 50.5 mt-30 -60.17 -41.78 93.59 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.712 0.767 . . . . 0.0 109.268 177.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.453 ' O ' HG12 ' A' ' 76' ' ' VAL . 88.0 mt-10 -68.08 -41.24 82.19 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 114.902 -1.044 . . . . 0.0 109.577 177.542 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.596 ' CE1' HD21 ' A' ' 36' ' ' LEU . 28.8 t80 -61.25 -47.62 85.18 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.619 179.274 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.641 HG21 ' CB ' ' B' ' 79' ' ' ALA . 19.7 m -63.18 -41.55 93.21 Favored 'Isoleucine or valine' 0 C--O 1.236 0.384 0 C-N-CA 120.344 -0.542 . . . . 0.0 111.681 -177.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.453 HG12 ' O ' ' A' ' 73' ' ' GLU . 11.1 p -64.88 -37.65 80.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 C-N-CA 120.381 -0.528 . . . . 0.0 110.645 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.654 HD23 HD21 ' A' ' 33' ' ' LEU . 44.5 tp -61.02 -48.21 82.87 Favored 'General case' 0 CA--C 1.513 -0.462 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.478 178.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.63 HG12 HD23 ' A' ' 37' ' ' LEU . 17.8 m -68.7 -42.56 83.16 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.899 0 C-N-CA 120.048 -0.661 . . . . 0.0 111.066 177.372 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.722 ' CB ' HG21 ' B' ' 75' ' ' VAL . . . -62.61 -39.32 93.41 Favored 'General case' 0 CA--C 1.507 -0.677 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.498 178.462 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.569 ' CB ' HE21 ' B' ' 72' ' ' GLN . . . -56.47 -50.26 72.24 Favored 'General case' 0 CA--C 1.508 -0.649 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.816 HD12 HD21 ' A' ' 37' ' ' LEU . 95.4 mt -64.36 -42.07 96.39 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.604 175.326 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.425 ' O ' ' HB2' ' A' ' 86' ' ' ASN . 17.8 m -62.23 -48.53 79.55 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.033 -178.159 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.485 HG23 ' HH2' ' A' ' 90' ' ' TRP . 14.5 p -61.76 -45.77 97.97 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.239 0 C-N-CA 120.12 -0.632 . . . . 0.0 109.992 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.94 -50.77 72.04 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.672 177.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.556 ' HG3' ' HB3' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -65.64 -49.52 68.35 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-O 121.19 0.519 . . . . 0.0 111.122 -178.51 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.615 ' HB3' ' CZ2' ' A' ' 90' ' ' TRP . 3.1 t-20 -62.89 -31.2 72.2 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.93 -175.152 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.52 ' HA ' ' CE3' ' A' ' 90' ' ' TRP . 0.2 OUTLIER -46.45 -35.01 5.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.41 -0.813 . . . . 0.0 110.51 176.643 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -57.08 -44.36 83.03 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.137 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 64.5 m-85 -64.96 -41.87 95.1 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.704 178.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.615 ' CZ2' ' HB3' ' A' ' 86' ' ' ASN . 9.4 m0 . . . . . 0 CA--C 1.497 -1.081 0 CA-C-O 121.509 0.671 . . . . 0.0 109.392 -178.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . 0.429 ' N ' ' OE1' ' B' ' 5' ' ' GLU . 6.7 m . . . . . 0 N--CA 1.45 -0.463 0 CA-C-O 120.94 0.4 . . . . 0.0 110.595 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . 0.419 ' O ' ' N ' ' B' ' 7' ' ' ALA . 49.0 mt-10 -57.91 -34.89 70.32 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 175.552 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 1.014 HD12 HD23 ' A' ' 11' ' ' LEU . 1.3 mm? -62.1 -42.34 99.12 Favored 'General case' 0 C--N 1.309 -1.194 0 CA-C-N 115.086 -0.961 . . . . 0.0 108.919 177.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . 0.429 ' OE1' ' N ' ' B' ' 2' ' ' SER . 45.9 mt-10 -64.52 -40.57 95.86 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 177.361 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 17.1 m -61.17 -44.81 96.72 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.381 -0.827 . . . . 0.0 108.901 173.104 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.419 ' N ' ' O ' ' B' ' 3' ' ' GLU . . . -58.35 -47.63 83.15 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.004 176.245 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . 0.563 ' SD ' HD12 ' B' ' 11' ' ' LEU . 94.0 mmm -63.23 -41.42 99.11 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.788 177.601 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . 0.439 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 1.2 mm-40 -62.42 -38.84 91.24 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 176.068 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.5 ' O ' HG23 ' B' ' 14' ' ' VAL . 9.5 m -60.31 -43.02 96.71 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 175.738 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.865 HD23 HD12 ' A' ' 4' ' ' LEU . 70.4 mt -61.8 -42.94 99.64 Favored 'General case' 0 C--O 1.236 0.379 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 174.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.532 HG21 ' ND2' ' A' ' 86' ' ' ASN . 21.8 mm -63.58 -45.1 98.55 Favored 'Isoleucine or valine' 0 C--O 1.237 0.439 0 CA-C-O 121.068 0.461 . . . . 0.0 109.916 -179.522 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . 0.439 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 54.7 m-80 -62.01 -43.14 99.48 Favored 'General case' 0 CA--C 1.508 -0.664 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.844 -178.449 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.766 HG21 HD21 ' A' ' 4' ' ' LEU . 89.2 t -65.3 -46.46 90.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.236 176.349 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.564 ' CE1' ' HB2' ' B' ' 28' ' ' LEU . 90.3 t80 -58.88 -49.03 79.3 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.845 -178.381 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.457 ' HA ' ' OG ' ' B' ' 19' ' ' SER . 8.2 m-70 -71.35 -30.72 66.5 Favored 'General case' 0 CA--C 1.506 -0.721 0 N-CA-C 113.3 0.852 . . . . 0.0 113.3 178.282 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.03 -41.03 74.35 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 173.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.82 ' CD2' HD13 ' B' ' 36' ' ' LEU . 85.8 m-70 -74.62 -38.42 62.56 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.549 -0.75 . . . . 0.0 112.15 174.49 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.457 ' OG ' ' HA ' ' B' ' 16' ' ' HIS . 34.6 m -50.51 -35.9 31.45 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 178.456 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -56.71 -36.26 71.1 Favored Glycine 0 CA--C 1.524 0.631 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.587 -178.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . 0.573 ' HD3' ' HA ' ' B' ' 18' ' ' HIS . 0.2 OUTLIER -63.55 -44.62 93.64 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 122.425 -0.456 . . . . 0.0 111.365 179.57 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.547 ' O ' ' N ' ' B' ' 24' ' ' ASP . 0.0 OUTLIER -150.15 -45.55 0.13 Allowed 'General case' 0 C--O 1.236 0.352 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 -175.099 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . 0.45 ' N ' ' OE1' ' B' ' 22' ' ' GLU . . . -57.77 59.77 0.01 OUTLIER Glycine 0 CA--C 1.526 0.779 0 CA-C-N 115.581 -0.736 . . . . 0.0 113.813 -169.311 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . 0.547 ' N ' ' O ' ' B' ' 22' ' ' GLU . 6.0 t70 39.74 -156.68 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 122.882 0.473 . . . . 0.0 110.453 176.262 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.524 ' HD2' ' CZ ' ' B' ' 26' ' ' TYR . 2.4 pttt -68.14 -47.86 66.92 Favored 'General case' 0 CA--C 1.508 -0.653 0 C-N-CA 118.417 -1.313 . . . . 0.0 108.902 177.345 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.524 ' CZ ' ' HD2' ' B' ' 25' ' ' LYS . 0.1 OUTLIER -134.66 92.5 2.91 Favored 'General case' 0 N--CA 1.445 -0.675 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.649 174.422 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.491 ' HG2' ' O ' ' B' ' 26' ' ' TYR . 3.2 mmtm -165.64 -174.92 3.28 Favored 'General case' 0 CA--C 1.507 -0.688 0 C-N-CA 124.921 1.288 . . . . 0.0 108.159 171.57 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.571 HD21 HD23 ' B' ' 36' ' ' LEU . 48.4 tp -144.41 135.44 25.18 Favored 'General case' 0 C--N 1.307 -1.246 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 170.685 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -102.62 163.81 12.01 Favored 'General case' 0 C--N 1.309 -1.183 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 178.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.516 ' NZ ' ' O ' ' B' ' 65' ' ' GLY . 0.3 OUTLIER -70.18 -6.91 37.66 Favored 'General case' 0 CA--C 1.509 -0.631 0 C-N-CA 119.49 -0.884 . . . . 0.0 109.449 -178.284 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 42.4 mttm -64.55 -47.87 77.17 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 107.603 -1.258 . . . . 0.0 107.603 -177.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.507 ' OE1' ' NZ ' ' B' ' 21' ' ' LYS . 52.6 mm-40 -89.0 -42.45 11.76 Favored 'General case' 0 C--O 1.222 -0.386 0 CA-C-N 114.154 -1.384 . . . . 0.0 111.785 178.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.815 HD11 ' CD2' ' B' ' 77' ' ' LEU . 2.6 tm? -52.72 -47.08 67.58 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 120.627 0.251 . . . . 0.0 111.239 -168.42 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.44 ' HG3' ' N ' ' B' ' 35' ' ' GLU . 16.9 pttp -58.85 -44.26 90.98 Favored 'General case' 0 C--N 1.309 -1.172 0 C-N-CA 120.167 -0.613 . . . . 0.0 110.509 178.332 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.44 ' N ' ' HG3' ' B' ' 34' ' ' LYS . 48.1 mm-40 -69.2 -45.89 68.79 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 122.027 0.918 . . . . 0.0 108.784 179.167 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.82 HD13 ' CD2' ' B' ' 18' ' ' HIS . 2.8 tp -60.83 -48.21 82.85 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 114.263 -1.335 . . . . 0.0 111.786 -178.049 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.747 HD11 ' CD1' ' B' ' 81' ' ' LEU . 2.3 tm? -62.62 -47.18 84.87 Favored 'General case' 0 C--N 1.311 -1.099 0 C-N-CA 120.112 -0.635 . . . . 0.0 111.105 -176.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.562 ' HB2' ' CD2' ' B' ' 45' ' ' LEU . 3.8 pt20 -66.02 -40.48 91.08 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 119.903 -0.719 . . . . 0.0 110.792 177.245 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.405 ' N ' ' HG3' ' B' ' 38' ' ' GLN . 98.3 m -63.74 -52.36 60.78 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 115.665 -0.698 . . . . 0.0 112.25 -177.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.735 ' HG2' HD12 ' B' ' 36' ' ' LEU . 56.5 mm-40 -73.4 -41.01 63.83 Favored 'General case' 0 C--N 1.332 -0.155 0 C-N-CA 120.159 -0.617 . . . . 0.0 112.261 -175.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 9.6 mp -96.02 35.96 1.36 Allowed 'General case' 0 CA--C 1.51 -0.563 0 CA-C-O 121.149 0.499 . . . . 0.0 109.9 -179.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -57.88 -36.59 72.61 Favored 'General case' 0 N--CA 1.442 -0.873 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.146 -176.476 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.88 -46.34 67.71 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 176.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.453 ' O ' ' HG3' ' B' ' 48' ' ' GLN . 15.3 m-85 -66.87 -43.91 82.29 Favored 'General case' 0 CA--C 1.496 -1.117 0 CA-C-O 121.26 0.552 . . . . 0.0 110.055 176.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.562 ' CD2' ' HB2' ' B' ' 38' ' ' GLN . 14.6 tp -61.32 -50.05 74.53 Favored 'General case' 0 N--CA 1.434 -1.269 0 CA-C-N 115.188 -0.914 . . . . 0.0 111.881 -177.016 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -61.21 -35.42 77.14 Favored 'General case' 0 C--N 1.305 -1.327 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.062 -177.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.22 -39.54 86.97 Favored 'General case' 0 C--N 1.309 -1.178 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.306 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.568 ' HG2' ' SD ' ' B' ' 85' ' ' MET . 1.1 pp0? -125.26 38.75 4.12 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 113.758 1.021 . . . . 0.0 113.758 -176.136 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.413 ' HG3' ' O ' ' B' ' 45' ' ' LEU . 5.7 mtpm? -61.7 -39.04 90.07 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 119.734 -0.787 . . . . 0.0 109.188 175.498 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -68.27 -28.81 67.53 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 114.977 -1.01 . . . . 0.0 112.208 -178.157 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 3.3 t -74.25 154.46 6.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 121.278 0.561 . . . . 0.0 112.349 -171.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.407 ' HB3' ' CE ' ' B' ' 56' ' ' LYS . 34.6 m-20 -61.91 -39.03 90.62 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.858 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.487 ' O ' HG23 ' B' ' 57' ' ' VAL . . . -49.03 -50.18 37.56 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 112.497 0.555 . . . . 0.0 112.497 -171.283 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.584 ' HA ' HD21 ' B' ' 81' ' ' LEU . 8.5 p -58.48 -46.81 89.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 C-N-CA 119.685 -0.806 . . . . 0.0 111.305 -175.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.491 ' O ' ' HB2' ' B' ' 59' ' ' LYS . 26.0 t70 -60.39 -49.96 75.51 Favored 'General case' 0 CA--C 1.508 -0.655 0 C-N-CA 119.737 -0.785 . . . . 0.0 110.302 177.445 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . 0.407 ' CE ' ' HB3' ' B' ' 52' ' ' ASP . 68.0 mttm -67.17 -42.59 84.01 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-N 114.996 -1.002 . . . . 0.0 112.043 -176.029 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.487 HG23 ' O ' ' B' ' 53' ' ' ALA . 47.1 t -62.78 -46.29 96.72 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.705 0 CA-C-O 121.408 0.623 . . . . 0.0 109.592 -179.147 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 51.8 ttp -60.84 -39.97 91.07 Favored 'General case' 0 N--CA 1.428 -1.56 0 CA-C-N 114.763 -1.108 . . . . 0.0 109.852 173.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . 0.679 ' NZ ' ' HB2' ' B' ' 59' ' ' LYS . 0.0 OUTLIER -63.23 -46.72 85.64 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.291 -179.46 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -64.13 -44.53 91.91 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.628 -0.714 . . . . 0.0 111.847 -177.321 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.429 ' N ' ' CD2' ' B' ' 61' ' ' LEU . 2.6 mm? -83.35 -10.78 58.26 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-O 120.984 0.421 . . . . 0.0 111.297 -176.643 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.463 ' OD1' ' NZ ' ' B' ' 30' ' ' LYS . 36.5 t70 -63.38 -37.14 86.12 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 120.581 -0.448 . . . . 0.0 111.223 -178.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.01 -48.86 79.96 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 124.043 0.839 . . . . 0.0 110.947 -174.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . 0.484 ' C ' ' H ' ' B' ' 66' ' ' ASP . 11.5 m-80 -62.76 -41.57 99.28 Favored 'General case' 0 CA--C 1.495 -1.157 0 CA-C-O 121.224 0.535 . . . . 0.0 110.032 175.622 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . 0.516 ' O ' ' NZ ' ' B' ' 30' ' ' LYS . . . -72.26 38.23 0.68 Allowed Glycine 0 N--CA 1.44 -1.086 0 N-CA-C 110.771 -0.932 . . . . 0.0 110.771 177.555 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.484 ' H ' ' C ' ' B' ' 64' ' ' ASN . 10.5 t70 -61.32 -38.25 86.19 Favored 'General case' 0 CA--C 1.506 -0.723 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 177.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -131.96 -42.04 0.19 Allowed Glycine 0 C--N 1.308 -0.976 0 N-CA-C 110.062 -1.215 . . . . 0.0 110.062 176.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.461 ' OE1' ' NZ ' ' B' ' 27' ' ' LYS . 28.3 mt-10 -136.11 153.38 51.32 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.713 -0.243 . . . . 0.0 110.579 -178.174 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.438 HG13 ' HB3' ' B' ' 28' ' ' LEU . 2.2 p -126.69 128.34 70.96 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.06 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 170.53 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.546 ' CG ' ' N ' ' B' ' 71' ' ' PHE . 6.0 t70 -93.04 173.07 7.92 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 120.876 0.369 . . . . 0.0 111.77 -174.36 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.546 ' N ' ' CG ' ' B' ' 70' ' ' ASP . 75.8 t80 -59.03 -44.4 91.74 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.06 -178.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.569 HE21 ' CB ' ' A' ' 80' ' ' ALA . 79.6 mt-30 -57.52 -43.15 84.08 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.46 -0.571 . . . . 0.0 109.46 177.475 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -69.01 -39.26 79.4 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.993 177.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . 0.555 ' CE1' HD21 ' B' ' 36' ' ' LEU . 42.3 t80 -61.12 -47.8 84.58 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.63 179.289 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.722 HG21 ' CB ' ' A' ' 79' ' ' ALA . 20.4 m -62.78 -42.3 95.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 C-N-CA 120.155 -0.618 . . . . 0.0 111.759 -178.309 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.449 HG23 ' HB3' ' A' ' 72' ' ' GLN . 8.4 p -65.26 -39.39 85.25 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.596 0 C-N-CA 119.916 -0.714 . . . . 0.0 110.588 179.123 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.815 ' CD2' HD11 ' B' ' 33' ' ' LEU . 56.9 tp -61.56 -48.15 82.31 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.116 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.738 HG12 HD23 ' B' ' 37' ' ' LEU . 16.5 m -68.69 -40.34 81.5 Favored 'Isoleucine or valine' 0 C--O 1.243 0.749 0 C-N-CA 120.027 -0.669 . . . . 0.0 110.464 176.691 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.641 ' CB ' HG21 ' A' ' 75' ' ' VAL . . . -61.15 -40.35 93.51 Favored 'General case' 0 CA--C 1.502 -0.882 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.391 178.568 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . 0.516 ' O ' HG12 ' B' ' 83' ' ' VAL . . . -57.51 -49.03 77.65 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 -178.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.747 ' CD1' HD11 ' B' ' 37' ' ' LEU . 89.9 mt -63.59 -42.07 98.29 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.89 174.031 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.686 HG21 ' HB3' ' A' ' 8' ' ' MET . 18.8 m -62.16 -49.56 75.34 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.395 -179.276 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.516 HG12 ' O ' ' B' ' 80' ' ' ALA . 1.1 p -62.41 -42.41 95.5 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 179.642 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -58.55 -54.17 50.07 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.341 177.088 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 85' ' ' MET . . . . . 0.568 ' SD ' ' HG2' ' B' ' 48' ' ' GLN . 81.6 mmm -64.5 -42.73 95.66 Favored 'General case' 0 CA--C 1.51 -0.583 0 C-N-CA 120.198 -0.601 . . . . 0.0 111.589 177.639 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.749 ' OD1' HG21 ' A' ' 12' ' ' ILE . 2.4 t-20 -64.16 -39.39 93.9 Favored 'General case' 0 C--N 1.313 -0.983 0 C-N-CA 120.263 -0.575 . . . . 0.0 109.784 179.351 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . 0.412 ' N ' ' O ' ' B' ' 83' ' ' VAL . 3.4 t-20 -60.25 -41.35 93.03 Favored 'General case' 0 CA--C 1.503 -0.86 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.043 174.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -60.29 -42.91 96.46 Favored 'General case' 0 N--CA 1.443 -0.802 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 174.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 . . . . . 0 C--O 1.235 0.334 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 177.604 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.253 1.244 0 CA-C-O 120.909 0.385 . . . . 0.0 110.855 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -63.49 -37.98 89.39 Favored 'General case' 0 CA--C 1.506 -0.744 0 C-N-CA 120.373 -0.531 . . . . 0.0 109.815 175.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.839 HD13 ' CD2' ' B' ' 11' ' ' LEU . 0.5 OUTLIER -59.99 -47.1 87.2 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.783 -177.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.4 ' HG2' ' CD2' ' B' ' 44' ' ' PHE . 99.7 mt-10 -63.07 -44.82 94.71 Favored 'General case' 0 N--CA 1.446 -0.67 0 C-N-CA 119.904 -0.719 . . . . 0.0 109.737 178.403 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.3 m -63.5 -46.75 84.66 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 115.113 -0.949 . . . . 0.0 110.94 177.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.79 -47.09 85.95 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.371 0.605 . . . . 0.0 109.693 179.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.674 ' HB3' HG21 ' B' ' 82' ' ' THR . 97.1 mmm -63.21 -42.01 99.22 Favored 'General case' 0 N--CA 1.443 -0.811 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.073 179.03 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.452 ' HG2' ' ND2' ' B' ' 86' ' ' ASN . 93.8 mt-10 -65.91 -33.96 77.03 Favored 'General case' 0 CA--C 1.515 -0.39 0 C-N-CA 119.951 -0.699 . . . . 0.0 111.541 175.468 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.709 HG22 ' CD1' ' B' ' 4' ' ' LEU . 18.6 m -56.44 -44.07 80.07 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 176.294 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.964 HD11 ' SD ' ' B' ' 8' ' ' MET . 97.3 mt -64.45 -39.56 94.06 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.615 172.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.638 HD13 ' CD1' ' A' ' 71' ' ' PHE . 17.2 mm -62.0 -43.98 98.33 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 -177.303 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 59.5 m-80 -61.33 -41.41 96.97 Favored 'General case' 0 CA--C 1.502 -0.904 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.698 -177.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 73.0 t -62.85 -46.05 97.31 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 174.283 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.529 ' CE1' ' HB2' ' A' ' 28' ' ' LEU . 77.0 t80 -59.87 -47.31 86.27 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.195 179.552 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -65.96 -42.66 89.64 Favored 'General case' 0 C--O 1.245 0.836 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 178.248 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.23 -46.56 79.5 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 179.112 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.44 ' HA ' ' HG2' ' A' ' 21' ' ' LYS . 92.2 m-70 -74.28 -31.57 62.58 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.071 176.623 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 70.4 m -55.66 -40.99 73.0 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-O 121.451 0.643 . . . . 0.0 109.708 178.262 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.02 -21.05 51.96 Favored Glycine 0 CA--C 1.526 0.726 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.88 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.44 ' HG2' ' HA ' ' A' ' 18' ' ' HIS . 31.1 mmtp -65.92 -44.13 86.08 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -172.29 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.548 ' HG3' ' H ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -89.58 -66.29 0.94 Allowed 'General case' 0 C--O 1.236 0.384 0 N-CA-C 113.32 0.859 . . . . 0.0 113.32 -171.914 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.548 ' H ' ' HG3' ' A' ' 22' ' ' GLU . . . 176.35 -37.06 0.1 OUTLIER Glycine 0 CA--C 1.527 0.786 0 C-N-CA 120.476 -0.869 . . . . 0.0 112.949 -179.597 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -65.02 151.08 46.9 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-N 117.268 0.534 . . . . 0.0 111.578 -176.111 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.1 pttt -56.63 -41.39 77.04 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.002 175.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.4 ' CD1' ' O ' ' A' ' 26' ' ' TYR . 14.1 p90 -157.08 93.08 1.31 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.407 0.622 . . . . 0.0 111.633 172.488 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.444 ' HA ' ' HD2' ' A' ' 27' ' ' LYS . 9.7 mmmm -154.03 157.97 39.85 Favored 'General case' 0 C--N 1.305 -1.343 0 N-CA-C 107.137 -1.431 . . . . 0.0 107.137 171.357 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.529 ' HB2' ' CE1' ' A' ' 15' ' ' PHE . 40.1 tp -121.1 120.11 34.37 Favored 'General case' 0 C--N 1.305 -1.343 0 CA-C-O 121.443 0.64 . . . . 0.0 109.624 -177.658 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.5 p -79.42 158.5 27.33 Favored 'General case' 0 N--CA 1.431 -1.386 0 CA-C-N 115.121 -0.945 . . . . 0.0 110.101 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.693 ' NZ ' ' HA ' ' A' ' 62' ' ' ASP . 12.6 mmmm -69.59 -6.13 29.08 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.799 0.809 . . . . 0.0 109.067 174.094 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -62.8 -45.3 93.3 Favored 'General case' 0 N--CA 1.441 -0.902 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 176.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.472 ' O ' ' HB3' ' A' ' 36' ' ' LEU . 59.2 mm-40 -97.79 -41.96 7.81 Favored 'General case' 0 N--CA 1.438 -1.066 0 CA-C-N 114.091 -1.413 . . . . 0.0 110.986 -176.382 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.826 HD21 HD23 ' A' ' 77' ' ' LEU . 2.7 tm? -50.46 -50.41 52.51 Favored 'General case' 0 CA--C 1.516 -0.36 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -168.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.1 pttp -64.15 -47.12 81.11 Favored 'General case' 0 C--N 1.314 -0.96 0 C-N-CA 118.877 -1.129 . . . . 0.0 111.008 179.144 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 80.0 mt-10 -69.73 -44.61 69.95 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.188 -174.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.568 ' O ' HD12 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -63.22 -44.01 96.48 Favored 'General case' 0 C--N 1.311 -1.094 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.838 173.345 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.637 HD23 HG12 ' A' ' 78' ' ' VAL . 2.9 tm? -61.29 -45.99 92.2 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 120.49 -0.484 . . . . 0.0 110.401 -178.187 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.458 ' HA ' HD22 ' A' ' 45' ' ' LEU . 6.0 pt20 -65.79 -44.05 86.91 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 119.605 -0.838 . . . . 0.0 111.272 177.691 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.422 HG22 ' N ' ' A' ' 40' ' ' GLU . 0.7 OUTLIER -64.37 -52.14 59.78 Favored 'General case' 0 N--CA 1.439 -0.989 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -177.39 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.422 ' N ' HG22 ' A' ' 39' ' ' THR . 75.1 mm-40 -71.85 -41.07 68.53 Favored 'General case' 0 C--O 1.238 0.488 0 C-N-CA 119.922 -0.711 . . . . 0.0 111.309 -174.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.548 HD22 HD21 ' A' ' 37' ' ' LEU . 10.9 mp -98.82 28.05 4.55 Favored 'General case' 0 C--O 1.242 0.691 0 CA-C-O 121.133 0.492 . . . . 0.0 110.282 -179.487 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.52 -33.6 60.23 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.498 -176.522 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -66.52 -49.91 52.91 Favored Glycine 0 C--N 1.317 -0.472 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 176.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.488 ' HD1' ' SD ' ' A' ' 85' ' ' MET . 40.4 m-85 -67.64 -42.6 82.03 Favored 'General case' 0 CA--C 1.489 -1.378 0 CA-C-O 121.265 0.555 . . . . 0.0 109.998 178.005 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.458 HD22 ' HA ' ' A' ' 38' ' ' GLN . 49.9 tp -61.49 -47.16 86.9 Favored 'General case' 0 N--CA 1.428 -1.554 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.666 -178.613 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -66.34 -40.08 89.63 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.827 0.346 . . . . 0.0 111.304 176.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.732 ' HB3' ' SD ' ' A' ' 85' ' ' MET . . . -62.61 -41.25 98.88 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.811 -177.221 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.426 ' HB2' ' CG2' ' A' ' 51' ' ' VAL . 1.6 pp0? -129.24 39.95 3.69 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.681 0.623 . . . . 0.0 112.681 -179.5 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 46.6 tttm -60.22 -46.14 90.77 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.141 0.496 . . . . 0.0 109.663 178.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.405 ' C ' ' H ' ' A' ' 52' ' ' ASP . 17.8 t70 -69.8 -20.71 63.45 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.443 -0.799 . . . . 0.0 112.498 -177.671 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.481 ' O ' ' N ' ' A' ' 53' ' ' ALA . 84.1 t -57.74 -2.32 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -172.399 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.424 ' OD1' ' NZ ' ' A' ' 56' ' ' LYS . 34.3 t70 61.53 -40.0 0.13 Allowed 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 175.042 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.484 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -52.18 -35.41 48.82 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 178.081 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.478 ' HA ' HD21 ' A' ' 81' ' ' LEU . 2.4 p -58.64 -42.18 84.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.155 175.504 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.41 ' O ' ' N ' ' A' ' 59' ' ' LYS . 35.0 t70 -61.47 -46.45 89.99 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.324 0.583 . . . . 0.0 109.892 175.242 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.6 ' CD ' ' N ' ' A' ' 56' ' ' LYS . 4.1 mptt -65.68 -40.01 91.91 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.37 -179.611 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.731 HG12 HD12 ' A' ' 77' ' ' LEU . 73.3 t -65.05 -44.31 95.85 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.986 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 176.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 51.2 ttm -61.67 -36.99 82.43 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 114.493 -1.23 . . . . 0.0 110.185 175.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.447 ' NZ ' ' OE2' ' A' ' 63' ' ' GLU . 16.4 tptp -58.61 -43.83 89.71 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.254 -177.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -60.31 -41.92 94.49 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 177.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.771 ' HG ' HD22 ' A' ' 77' ' ' LEU . 2.0 mm? -63.06 -41.1 99.39 Favored 'General case' 0 C--O 1.243 0.749 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.799 175.072 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.693 ' HA ' ' NZ ' ' A' ' 30' ' ' LYS . 50.9 m-20 -66.53 -41.08 89.29 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 120.547 -0.461 . . . . 0.0 111.86 175.38 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.447 ' OE2' ' NZ ' ' A' ' 59' ' ' LYS . 91.5 mt-10 -65.67 -46.35 79.43 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 177.466 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.49 ' O ' ' N ' ' A' ' 66' ' ' ASP . 38.5 t-20 -64.95 -42.39 94.65 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.698 178.314 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 61' ' ' LEU . . . -62.03 42.3 0.06 OUTLIER Glycine 0 N--CA 1.465 0.583 0 CA-C-N 115.735 -0.666 . . . . 0.0 113.059 -173.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.49 ' N ' ' O ' ' A' ' 64' ' ' ASN . 38.7 t70 -63.67 -37.5 87.57 Favored 'General case' 0 CA--C 1.507 -0.676 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 174.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.406 ' O ' ' HG3' ' A' ' 68' ' ' GLU . . . -120.22 -68.67 0.29 Allowed Glycine 0 C--N 1.317 -0.479 0 N-CA-C 110.476 -1.05 . . . . 0.0 110.476 177.796 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.437 ' HB2' ' HE2' ' A' ' 27' ' ' LYS . 0.6 OUTLIER -146.84 171.81 14.62 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.494 HG13 ' O ' ' A' ' 28' ' ' LEU . 0.4 OUTLIER -113.42 132.24 62.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 170.003 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.412 ' O ' ' N ' ' A' ' 74' ' ' TYR . 0.0 OUTLIER -92.31 -178.86 5.06 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.439 -0.504 . . . . 0.0 110.302 -177.624 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.638 ' CD1' HD13 ' A' ' 12' ' ' ILE . 75.7 t80 -60.42 -45.14 94.69 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.899 0.38 . . . . 0.0 110.243 179.382 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -59.52 -42.1 91.46 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.457 ' O ' HG12 ' A' ' 76' ' ' VAL . 96.3 mt-10 -70.17 -41.43 73.8 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.979 176.062 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.412 ' N ' ' O ' ' A' ' 70' ' ' ASP . 43.0 t80 -61.37 -47.68 84.71 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 177.597 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.946 HG21 ' CB ' ' B' ' 79' ' ' ALA . 19.6 m -62.43 -42.43 95.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 C-N-CA 120.075 -0.65 . . . . 0.0 112.217 -177.763 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.457 HG12 ' O ' ' A' ' 73' ' ' GLU . 12.2 p -64.26 -37.58 80.29 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.713 0 C-N-CA 120.252 -0.579 . . . . 0.0 110.355 -178.309 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.826 HD23 HD21 ' A' ' 33' ' ' LEU . 54.2 tp -60.73 -50.25 74.23 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.283 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.637 HG12 HD23 ' A' ' 37' ' ' LEU . 16.8 m -69.26 -42.15 81.34 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.654 177.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.736 ' CB ' HG21 ' B' ' 75' ' ' VAL . . . -62.44 -44.88 95.37 Favored 'General case' 0 CA--C 1.511 -0.534 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.19 -179.5 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.68 -42.13 92.22 Favored 'General case' 0 CA--C 1.509 -0.62 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.478 HD21 ' HA ' ' A' ' 54' ' ' VAL . 95.4 mt -64.33 -41.62 96.71 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.301 174.662 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.484 ' O ' ' HB2' ' A' ' 86' ' ' ASN . 19.4 m -61.61 -51.31 69.04 Favored 'General case' 0 N--CA 1.445 -0.705 0 C-N-CA 120.341 -0.544 . . . . 0.0 109.833 -179.004 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.7 HG11 ' HG3' ' B' ' 72' ' ' GLN . 5.7 p -66.02 -36.84 78.44 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.218 0 C-N-CA 120.77 -0.372 . . . . 0.0 111.029 176.464 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.22 -50.7 68.74 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 120.426 -0.51 . . . . 0.0 110.4 178.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.732 ' SD ' ' HB3' ' A' ' 47' ' ' ALA . 23.1 ttp -74.95 -45.94 38.89 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 119.805 -0.758 . . . . 0.0 110.522 178.116 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.586 ' HB3' ' CZ2' ' A' ' 90' ' ' TRP . 0.5 OUTLIER -59.49 -30.06 68.28 Favored 'General case' 0 CA--C 1.507 -0.702 0 C-N-CA 120.59 -0.444 . . . . 0.0 109.963 -177.907 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -54.24 -39.07 66.45 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.016 173.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -59.56 -45.08 92.87 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 174.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -61.2 -42.94 99.47 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 119.708 -0.797 . . . . 0.0 109.596 175.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.774 ' HZ2' HD12 ' B' ' 12' ' ' ILE . 15.2 m0 . . . . . 0 CA--C 1.498 -1.043 0 CA-C-O 121.064 0.459 . . . . 0.0 110.384 -177.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 40.2 m . . . . . 0 N--CA 1.454 -0.24 0 CA-C-O 120.679 0.276 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . 0.557 ' H ' ' CD ' ' B' ' 3' ' ' GLU . 1.4 mp0 -50.08 -20.56 1.0 Allowed 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.72 178.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.709 ' CD1' HG22 ' A' ' 10' ' ' THR . 1.3 mm? -59.89 -40.58 89.21 Favored 'General case' 0 N--CA 1.436 -1.131 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 178.293 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . 0.434 ' HG2' ' HD2' ' A' ' 44' ' ' PHE . 94.2 mt-10 -60.64 -43.57 97.39 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 120.169 -0.613 . . . . 0.0 109.639 176.514 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 8.2 m -61.72 -45.33 94.42 Favored 'General case' 0 N--CA 1.445 -0.724 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 175.267 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.26 -44.01 97.94 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.559 177.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . 0.964 ' SD ' HD11 ' A' ' 11' ' ' LEU . 96.5 mmm -63.6 -42.61 98.23 Favored 'General case' 0 CA--C 1.514 -0.414 0 C-N-CA 120.467 -0.493 . . . . 0.0 110.477 177.452 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -68.14 -27.4 66.4 Favored 'General case' 0 N--CA 1.442 -0.852 0 C-N-CA 119.098 -1.041 . . . . 0.0 111.837 175.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 10.4 m -57.81 -43.03 85.45 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 174.186 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.839 ' CD2' HD13 ' A' ' 4' ' ' LEU . 96.9 mt -63.13 -40.35 97.33 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 174.29 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.774 HD12 ' HZ2' ' A' ' 90' ' ' TRP . 22.4 mm -63.1 -43.81 99.15 Favored 'Isoleucine or valine' 0 C--O 1.239 0.534 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 -179.495 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 47.5 m-80 -61.66 -44.63 96.59 Favored 'General case' 0 CA--C 1.506 -0.742 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.625 -175.579 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.456 HG11 HD21 ' A' ' 4' ' ' LEU . 26.8 m -66.26 -39.37 84.07 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.047 0 CA-C-O 121.192 0.52 . . . . 0.0 109.926 175.437 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -59.04 -48.79 80.3 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.172 178.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 -64.63 -40.71 95.96 Favored 'General case' 0 CA--C 1.499 -1.006 0 N-CA-C 112.011 0.375 . . . . 0.0 112.011 175.255 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.19 -49.82 65.91 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 179.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.571 ' CD2' HD22 ' B' ' 36' ' ' LEU . 96.8 m-70 -71.67 -36.28 70.59 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.428 -0.806 . . . . 0.0 112.348 177.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.511 ' HA ' ' O ' ' B' ' 27' ' ' LYS . 67.6 m -52.76 -37.64 59.78 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-O 121.284 0.564 . . . . 0.0 110.457 178.195 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.77 -25.99 59.67 Favored Glycine 0 N--CA 1.443 -0.852 0 CA-C-N 115.538 -0.756 . . . . 0.0 111.233 179.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . 0.453 ' HG3' ' CD ' ' B' ' 32' ' ' GLU . 34.2 mmtp -66.63 -47.17 73.44 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-O 120.701 0.286 . . . . 0.0 110.49 -176.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.458 ' OE1' ' N ' ' B' ' 29' ' ' SER . 3.6 pt-20 -88.65 -37.91 15.22 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.639 178.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.91 21.97 64.72 Favored Glycine 0 CA--C 1.529 0.93 0 CA-C-N 116.101 -0.499 . . . . 0.0 113.428 173.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 39.2 t70 -58.96 -47.76 83.95 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 177.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.537 ' CG ' ' H ' ' B' ' 26' ' ' TYR . 0.0 OUTLIER 160.59 -67.46 0.0 OUTLIER 'General case' 0 CA--C 1.508 -0.67 0 C-N-CA 125.191 1.396 . . . . 0.0 109.282 172.499 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.537 ' H ' ' CG ' ' B' ' 25' ' ' LYS . 0.3 OUTLIER -132.05 94.49 3.48 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 166.179 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.511 ' O ' ' HA ' ' B' ' 19' ' ' SER . 6.3 mmtp -153.49 158.39 41.27 Favored 'General case' 0 CA--C 1.467 -2.241 0 CA-C-N 115.1 -0.954 . . . . 0.0 110.363 -175.608 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.609 ' O ' HG13 ' B' ' 69' ' ' VAL . 46.2 tp -125.47 117.31 23.36 Favored 'General case' 0 N--CA 1.406 -2.638 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 166.705 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.458 ' N ' ' OE1' ' B' ' 22' ' ' GLU . 11.5 p -82.31 164.58 21.02 Favored 'General case' 0 C--N 1.297 -1.687 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.41 -178.082 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.685 ' NZ ' ' HA ' ' B' ' 62' ' ' ASP . 10.5 mmmm -71.62 -5.94 37.21 Favored 'General case' 0 C--N 1.314 -0.937 0 C-N-CA 120.075 -0.65 . . . . 0.0 110.171 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.407 ' H ' ' HG3' ' B' ' 31' ' ' LYS . 33.6 mttm -65.51 -70.77 0.22 Allowed 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 176.456 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.465 ' HB3' ' ND1' ' B' ' 18' ' ' HIS . 46.9 mm-40 -69.7 -35.82 75.41 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.612 -1.176 . . . . 0.0 111.633 -178.004 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.751 HD21 HD23 ' B' ' 77' ' ' LEU . 1.5 tm? -57.07 -46.26 82.62 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.948 -170.149 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.656 ' HZ3' ' HB2' ' B' ' 34' ' ' LYS . 14.7 mtmm -64.87 -46.7 80.72 Favored 'General case' 0 C--N 1.312 -1.024 0 C-N-CA 119.878 -0.729 . . . . 0.0 109.737 -178.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -69.47 -44.78 70.5 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.946 -178.037 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.571 HD22 ' CD2' ' B' ' 18' ' ' HIS . 0.1 OUTLIER -64.16 -43.63 94.57 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.781 -0.367 . . . . 0.0 111.232 179.109 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.673 HD21 HD12 ' B' ' 81' ' ' LEU . 2.5 tm? -62.22 -47.18 85.55 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.736 -177.578 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -65.56 -41.44 92.96 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 119.676 -0.81 . . . . 0.0 109.959 176.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 98.9 m -65.0 -53.71 41.81 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.612 -178.058 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.51 ' HB3' ' HB2' ' A' ' 4' ' ' LEU . 79.2 mm-40 -69.41 -38.64 78.03 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 111.847 0.314 . . . . 0.0 111.847 -177.582 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.519 HD22 HD21 ' B' ' 37' ' ' LEU . 10.9 mp -97.04 36.88 1.37 Allowed 'General case' 0 C--N 1.315 -0.895 0 C-N-CA 120.866 -0.334 . . . . 0.0 110.297 179.653 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 58.2 m -55.98 -44.41 78.51 Favored 'General case' 0 C--O 1.24 0.6 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.286 -176.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -66.68 -46.77 72.89 Favored Glycine 0 C--O 1.242 0.637 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 177.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.526 ' CE2' HG23 ' B' ' 82' ' ' THR . 5.6 m-30 -62.74 -43.51 98.62 Favored 'General case' 0 CA--C 1.51 -0.564 0 CA-C-O 121.046 0.45 . . . . 0.0 110.05 177.041 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.546 ' O ' HD12 ' B' ' 45' ' ' LEU . 2.9 tp -60.03 -47.21 86.77 Favored 'General case' 0 C--N 1.309 -1.165 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.354 179.389 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.514 ' O ' ' NZ ' ' B' ' 49' ' ' LYS . 32.1 t70 -65.62 -39.19 91.22 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.932 178.757 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . 0.585 ' CB ' ' SD ' ' B' ' 85' ' ' MET . . . -62.63 -38.68 91.21 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 -173.513 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.433 ' OE1' ' HB ' ' B' ' 54' ' ' VAL . 1.0 OUTLIER -124.29 43.87 2.89 Favored 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 120.896 -0.322 . . . . 0.0 111.714 -175.072 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.514 ' NZ ' ' O ' ' B' ' 46' ' ' ASP . 39.1 mtmm -62.79 -40.09 96.27 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 176.189 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -63.56 -30.02 71.2 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.42 -1.263 . . . . 0.0 113.262 -178.113 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . 0.581 ' C ' ' H ' ' B' ' 53' ' ' ALA . 12.2 t -62.27 -24.01 33.66 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 C-N-CA 120.399 -0.521 . . . . 0.0 110.742 -174.34 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.52 ' OD2' ' NZ ' ' B' ' 56' ' ' LYS . 0.3 OUTLIER 69.16 -17.65 0.21 Allowed 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 121.127 0.489 . . . . 0.0 110.036 -177.385 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.666 ' O ' HG23 ' B' ' 57' ' ' VAL . . . -61.34 -37.62 83.98 Favored 'General case' 0 C--O 1.21 -1.0 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 177.476 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.643 ' HA ' HD21 ' B' ' 81' ' ' LEU . 7.2 p -59.34 -44.42 92.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 178.078 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.444 ' O ' ' HG2' ' B' ' 58' ' ' MET . 30.6 t70 -60.59 -49.67 76.6 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.977 0.894 . . . . 0.0 109.575 176.117 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . 0.52 ' NZ ' ' OD2' ' B' ' 52' ' ' ASP . 33.5 mttp -65.98 -40.35 91.15 Favored 'General case' 0 C--N 1.303 -1.426 0 CA-C-N 114.839 -1.073 . . . . 0.0 112.241 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.88 HG12 HD12 ' B' ' 77' ' ' LEU . 75.4 t -63.6 -47.45 91.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 179.171 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . 0.444 ' HG2' ' O ' ' B' ' 55' ' ' ASP . 26.4 ptt? -62.63 -39.47 93.91 Favored 'General case' 0 CA--C 1.513 -0.472 0 C-N-CA 120.064 -0.654 . . . . 0.0 109.353 175.514 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' B' ' 63' ' ' GLU . 63.9 tttp -58.77 -46.36 87.68 Favored 'General case' 0 N--CA 1.441 -0.91 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.261 171.647 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . 0.486 ' N ' ' O ' ' B' ' 56' ' ' LYS . 3.0 mm-40 -53.13 -41.33 64.96 Favored 'General case' 0 C--N 1.314 -0.966 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 -179.536 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.602 HD23 HD13 ' B' ' 77' ' ' LEU . 3.3 mm? -64.45 -38.06 89.69 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.586 172.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.685 ' HA ' ' NZ ' ' B' ' 30' ' ' LYS . 50.5 m-20 -67.31 -35.33 79.23 Favored 'General case' 0 C--O 1.242 0.706 0 O-C-N 121.596 -0.69 . . . . 0.0 111.287 174.439 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' B' ' 59' ' ' LYS . 67.2 mm-40 -62.41 -58.67 6.8 Favored 'General case' 0 N--CA 1.448 -0.545 0 O-C-N 123.568 0.542 . . . . 0.0 110.259 175.307 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . 0.446 ' C ' ' H ' ' B' ' 66' ' ' ASP . 6.0 t-20 -74.18 -47.81 33.23 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 121.343 0.592 . . . . 0.0 111.419 179.436 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . 0.579 ' N ' ' O ' ' B' ' 61' ' ' LEU . . . -73.99 43.78 1.24 Allowed Glycine 0 CA--C 1.494 -1.266 0 N-CA-C 110.038 -1.225 . . . . 0.0 110.038 -178.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.446 ' H ' ' C ' ' B' ' 64' ' ' ASN . 6.4 t70 -62.66 -36.03 81.56 Favored 'General case' 0 CA--C 1.509 -0.633 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 178.647 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -104.71 -72.77 0.88 Allowed Glycine 0 N--CA 1.449 -0.442 0 CA-C-N 114.52 -1.218 . . . . 0.0 110.891 179.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.45 ' OE1' ' NZ ' ' B' ' 27' ' ' LYS . 94.4 mt-10 -143.08 156.09 44.74 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 123.216 0.607 . . . . 0.0 111.218 -178.06 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.92 HG23 ' CB ' ' B' ' 73' ' ' GLU . 0.8 OUTLIER -123.62 129.04 74.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.447 176.109 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -92.7 -170.03 2.35 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-O 121.229 0.537 . . . . 0.0 110.141 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.644 ' O ' HG22 ' B' ' 75' ' ' VAL . 68.9 t80 -61.29 -45.22 95.39 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.219 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.7 ' HG3' HG11 ' A' ' 83' ' ' VAL . 33.9 mt-30 -61.34 -40.73 95.32 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.573 179.163 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.92 ' CB ' HG23 ' B' ' 69' ' ' VAL . 62.4 mm-40 -70.6 -39.96 73.5 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 121.166 0.508 . . . . 0.0 110.447 173.731 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . 0.522 ' OH ' HD11 ' A' ' 4' ' ' LEU . 26.6 t80 -61.52 -48.06 82.75 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.895 -0.593 . . . . 0.0 112.592 179.356 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.736 HG21 ' CB ' ' A' ' 79' ' ' ALA . 16.1 m -63.96 -41.21 91.77 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 N-CA-C 112.989 0.737 . . . . 0.0 112.989 -177.141 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.446 HG12 ' O ' ' B' ' 73' ' ' GLU . 12.9 p -62.86 -34.75 67.73 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.425 0 C-N-CA 120.078 -0.649 . . . . 0.0 110.966 -179.025 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.88 HD12 HG12 ' B' ' 57' ' ' VAL . 55.1 tp -61.73 -48.61 79.94 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.088 178.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.654 HG12 HD23 ' B' ' 37' ' ' LEU . 28.4 m -70.59 -39.72 76.35 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 C-N-CA 120.299 -0.561 . . . . 0.0 110.661 177.266 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.946 ' CB ' HG21 ' A' ' 75' ' ' VAL . . . -62.3 -45.83 91.49 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.408 179.409 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.88 -44.25 91.07 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.673 HD12 HD21 ' B' ' 37' ' ' LEU . 94.8 mt -64.5 -41.95 96.12 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.351 175.267 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.674 HG21 ' HB3' ' A' ' 8' ' ' MET . 21.6 m -62.28 -50.31 72.2 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.886 -179.156 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.497 HG12 ' O ' ' B' ' 79' ' ' ALA . 7.4 p -62.35 -45.24 99.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 C-N-CA 119.663 -0.815 . . . . 0.0 110.296 179.219 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -58.08 -52.46 65.43 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.52 177.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 85' ' ' MET . . . . . 0.585 ' SD ' ' CB ' ' B' ' 47' ' ' ALA . 0.0 OUTLIER -68.46 -47.57 66.8 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.149 -0.621 . . . . 0.0 112.259 179.445 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.452 ' ND2' ' HG2' ' A' ' 9' ' ' GLU . 1.6 t-20 -64.72 -34.39 78.21 Favored 'General case' 0 C--N 1.317 -0.836 0 C-N-CA 119.644 -0.822 . . . . 0.0 110.226 -175.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . 0.611 HD22 ' C ' ' B' ' 87' ' ' ASN . 0.2 OUTLIER -56.36 -38.06 70.9 Favored 'General case' 0 C--O 1.239 0.518 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 176.284 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.443 ' HB3' ' O ' ' B' ' 85' ' ' MET . 90.2 t80 -58.54 -44.71 89.69 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.891 176.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 40.7 m-85 . . . . . 0 C--N 1.318 -0.802 0 C-N-CA 119.647 -0.821 . . . . 0.0 111.177 177.316 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.244 0.802 0 CA-C-O 120.743 0.306 . . . . 0.0 111.128 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 7' ' ' ALA . 42.5 mp0 -57.89 -40.9 81.38 Favored 'General case' 0 CA--C 1.508 -0.67 0 C-N-CA 120.639 -0.424 . . . . 0.0 110.364 177.282 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.938 ' CD1' HD23 ' B' ' 11' ' ' LEU . 0.6 OUTLIER -61.2 -42.18 98.14 Favored 'General case' 0 C--N 1.312 -1.044 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 -179.745 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.481 ' CG ' ' HA ' ' B' ' 41' ' ' LEU . 46.6 mt-10 -64.21 -42.33 96.66 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 175.526 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.3 m -61.58 -44.89 96.18 Favored 'General case' 0 C--O 1.244 0.803 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.576 177.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 3' ' ' GLU . . . -58.32 -47.43 83.74 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.718 178.408 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.525 ' HE1' ' HB2' ' B' ' 79' ' ' ALA . 93.7 mmm -65.07 -41.32 95.19 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.392 179.252 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -61.88 -35.72 79.15 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.941 176.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 16.5 m -59.97 -43.68 94.92 Favored 'General case' 0 C--N 1.314 -0.956 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 177.122 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.725 HD11 ' SD ' ' B' ' 8' ' ' MET . 89.1 mt -63.21 -39.55 94.95 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.536 175.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.453 HD13 ' CE1' ' A' ' 71' ' ' PHE . 22.1 mm -61.97 -43.38 97.48 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 -179.244 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 70.9 m-20 -60.28 -42.07 94.67 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 -179.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.537 HG11 HD11 ' A' ' 36' ' ' LEU . 85.7 t -63.09 -45.49 98.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.678 176.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -58.83 -46.04 88.59 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.646 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 -56.99 -46.36 82.3 Favored 'General case' 0 CA--C 1.511 -0.555 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.354 177.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.522 ' O ' ' HG2' ' A' ' 21' ' ' LYS . . . -57.29 -51.91 67.47 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.137 -175.048 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.558 ' CD2' HD13 ' A' ' 36' ' ' LEU . 92.0 m-70 -68.42 -37.16 80.05 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.854 -179.471 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 40.2 m -53.75 -41.84 67.54 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 178.007 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.99 -39.77 96.68 Favored Glycine 0 N--CA 1.445 -0.747 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.945 176.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.522 ' HG2' ' O ' ' A' ' 17' ' ' ALA . 33.3 mmtm -64.3 -45.24 88.82 Favored 'General case' 0 CA--C 1.507 -0.674 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.416 -175.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.06 -41.21 67.68 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 120.145 -0.622 . . . . 0.0 111.623 -179.104 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 136.22 -8.63 4.1 Favored Glycine 0 CA--C 1.523 0.592 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.961 175.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -80.61 149.84 29.72 Favored 'General case' 0 CA--C 1.508 -0.659 0 CA-C-N 117.501 0.651 . . . . 0.0 111.06 -178.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.512 ' HD2' ' CE2' ' A' ' 26' ' ' TYR . 47.3 pttt -64.66 -39.55 93.88 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 172.284 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.512 ' CE2' ' HD2' ' A' ' 25' ' ' LYS . 5.3 p90 -162.64 92.25 0.78 Allowed 'General case' 0 C--O 1.238 0.471 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.21 170.193 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.436 ' HD2' ' HA ' ' A' ' 27' ' ' LYS . 10.2 mmmm -163.66 162.95 24.43 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 106.076 -1.824 . . . . 0.0 106.076 170.724 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.472 ' HB3' ' O ' ' A' ' 69' ' ' VAL . 44.4 tp -124.04 129.15 50.42 Favored 'General case' 0 C--N 1.308 -1.222 0 C-N-CA 119.988 -0.685 . . . . 0.0 110.183 178.086 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.7 p -81.47 163.72 22.54 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.97 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.475 ' NZ ' ' HA ' ' A' ' 62' ' ' ASP . 7.4 mmmm -75.85 -4.2 39.43 Favored 'General case' 0 C--N 1.314 -0.953 0 C-N-CA 120.117 -0.633 . . . . 0.0 109.883 176.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 39.3 mttm -74.62 -63.23 1.29 Allowed 'General case' 0 CA--C 1.52 -0.207 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 177.089 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 36' ' ' LEU . 75.4 mm-40 -67.11 -37.57 84.13 Favored 'General case' 0 N--CA 1.442 -0.834 0 CA-C-N 114.033 -1.44 . . . . 0.0 111.751 -177.12 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.744 HD11 ' CD2' ' A' ' 77' ' ' LEU . 2.7 tm? -58.68 -43.34 89.93 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.499 -0.48 . . . . 0.0 110.154 -175.388 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.506 ' NZ ' ' OD2' ' A' ' 62' ' ' ASP . 62.7 mttp -62.7 -46.85 86.21 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 119.874 -0.73 . . . . 0.0 109.691 179.064 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 66.4 tt0 -65.43 -44.38 87.52 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.624 178.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.692 HD21 ' CE1' ' A' ' 74' ' ' TYR . 17.2 tp -60.83 -48.79 80.22 Favored 'General case' 0 C--N 1.298 -1.655 0 CA-C-N 114.808 -1.087 . . . . 0.0 111.903 178.069 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.658 HD23 HG12 ' A' ' 78' ' ' VAL . 2.7 tm? -63.58 -45.65 89.42 Favored 'General case' 0 C--N 1.306 -1.283 0 C-N-CA 120.452 -0.499 . . . . 0.0 110.692 -177.122 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -68.53 -41.42 79.9 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.159 -0.616 . . . . 0.0 110.889 176.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 73.9 m -61.9 -51.12 69.47 Favored 'General case' 0 N--CA 1.442 -0.841 0 CA-C-N 115.902 -0.59 . . . . 0.0 112.024 -178.289 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -83.92 -35.77 23.81 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 113.116 0.784 . . . . 0.0 113.116 -174.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.41 ' HB2' HD22 ' A' ' 37' ' ' LEU . 10.4 mp -105.65 37.7 2.17 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-O 120.579 0.228 . . . . 0.0 111.279 -178.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.4 m -56.1 -39.22 71.82 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 -178.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -62.05 -50.21 67.69 Favored Glycine 0 CA--C 1.52 0.389 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.747 178.042 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.472 ' CZ ' HG23 ' A' ' 82' ' ' THR . 33.1 m-85 -67.88 -42.24 81.52 Favored 'General case' 0 CA--C 1.499 -0.981 0 CA-C-O 121.457 0.646 . . . . 0.0 109.961 177.472 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 49.1 tp -63.06 -48.34 79.08 Favored 'General case' 0 N--CA 1.432 -1.332 0 CA-C-N 115.127 -0.942 . . . . 0.0 111.593 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -70.86 -41.31 71.57 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -178.264 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.948 ' HB3' ' SD ' ' A' ' 85' ' ' MET . . . -56.08 -44.56 79.1 Favored 'General case' 0 CA--C 1.509 -0.607 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.364 -175.624 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.463 ' CB ' HG21 ' A' ' 51' ' ' VAL . 1.7 pp0? -120.09 52.22 1.15 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.236 0.541 . . . . 0.0 110.295 176.206 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.2 ttmm -59.65 -41.63 90.98 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.202 -175.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.415 ' C ' ' H ' ' A' ' 52' ' ' ASP . 39.0 t70 -111.57 17.21 20.21 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 -173.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.583 HG12 ' O ' ' A' ' 51' ' ' VAL . 35.3 t -74.42 21.37 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 N-CA-C 111.79 0.293 . . . . 0.0 111.79 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.529 ' OD1' ' NZ ' ' A' ' 56' ' ' LYS . 40.9 t0 59.39 -47.67 0.07 Allowed 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 112.788 0.662 . . . . 0.0 112.788 174.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.542 ' N ' ' O ' ' A' ' 51' ' ' VAL . . . -58.48 -36.54 73.9 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.808 0.337 . . . . 0.0 110.428 -178.559 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.433 HG13 ' N ' ' A' ' 55' ' ' ASP . 7.3 p -58.8 -47.72 88.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.361 179.525 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.593 ' O ' ' N ' ' A' ' 59' ' ' LYS . 25.4 t70 -59.44 -48.83 80.14 Favored 'General case' 0 CA--C 1.495 -1.151 0 CA-C-O 121.132 0.491 . . . . 0.0 109.684 176.284 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.529 ' NZ ' ' OD1' ' A' ' 52' ' ' ASP . 37.0 mttp -62.68 -41.77 99.28 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.822 -176.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.554 HG12 HD12 ' A' ' 77' ' ' LEU . 98.5 t -62.1 -45.68 98.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 174.253 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 14.4 mmm -61.92 -40.06 94.17 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-O 121.564 0.697 . . . . 0.0 109.251 175.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.593 ' N ' ' O ' ' A' ' 55' ' ' ASP . 0.1 OUTLIER -61.07 -46.91 88.76 Favored 'General case' 0 N--CA 1.431 -1.408 0 CA-C-N 114.706 -1.134 . . . . 0.0 109.306 -176.498 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -62.04 -40.01 94.27 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.166 179.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.725 ' HG ' HD13 ' A' ' 77' ' ' LEU . 3.3 mm? -61.7 -39.82 92.83 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.293 -0.563 . . . . 0.0 110.176 176.357 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.506 ' OD2' ' NZ ' ' A' ' 34' ' ' LYS 0.416 5.0 m-20 -85.23 -11.05 55.78 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 115.446 1.647 . . . . 0.0 115.446 176.604 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.49 ' HG3' ' O ' ' A' ' 59' ' ' LYS . 97.7 mt-10 -64.36 -36.64 84.81 Favored 'General case' 0 CA--C 1.501 -0.934 0 N-CA-C 105.459 -2.052 . . . . 0.0 105.459 163.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -79.52 37.52 0.34 Allowed 'General case' 0 N--CA 1.441 -0.914 0 CA-C-N 113.541 -1.663 . . . . 0.0 108.769 167.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.466 ' H ' ' C ' ' A' ' 63' ' ' GLU . . . -91.95 18.37 53.72 Favored Glycine 0 CA--C 1.506 -0.527 0 N-CA-C 108.362 -1.895 . . . . 0.0 108.362 178.281 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -60.22 -43.24 96.17 Favored 'General case' 0 N--CA 1.436 -1.16 0 CA-C-N 114.255 -0.973 . . . . 0.0 110.835 -177.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -156.1 -82.73 0.04 OUTLIER Glycine 0 C--N 1.319 -0.363 0 N-CA-C 111.508 -0.637 . . . . 0.0 111.508 179.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -121.09 164.84 16.19 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.567 0.222 . . . . 0.0 111.031 -177.122 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.692 HG23 ' CB ' ' A' ' 73' ' ' GLU . 1.6 p -120.67 129.08 76.01 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 N-CA-C 107.685 -1.228 . . . . 0.0 107.685 170.174 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.594 ' CG ' ' N ' ' A' ' 71' ' ' PHE . 1.0 OUTLIER -95.11 -179.54 4.85 Favored 'General case' 0 C--N 1.313 -1.019 0 C-N-CA 120.659 -0.417 . . . . 0.0 110.568 -175.913 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.594 ' N ' ' CG ' ' A' ' 70' ' ' ASP . 66.0 t80 -58.39 -42.83 87.97 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 -176.659 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -59.27 -44.05 92.45 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.488 -179.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.692 ' CB ' HG23 ' A' ' 69' ' ' VAL . 56.5 mp0 -69.62 -39.15 77.36 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.287 0.565 . . . . 0.0 109.993 176.325 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.692 ' CE1' HD21 ' A' ' 36' ' ' LEU . 22.5 t80 -60.73 -49.75 76.23 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.832 177.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.92 HG21 ' CB ' ' B' ' 79' ' ' ALA . 24.9 m -63.94 -43.32 97.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 C-N-CA 120.13 -0.628 . . . . 0.0 112.058 -179.058 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 14.7 p -64.87 -38.3 82.39 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 C-N-CA 120.348 -0.541 . . . . 0.0 110.689 -179.141 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.744 ' CD2' HD11 ' A' ' 33' ' ' LEU . 49.4 tp -60.86 -49.7 76.42 Favored 'General case' 0 CA--C 1.508 -0.662 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.809 179.376 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.658 HG12 HD23 ' A' ' 37' ' ' LEU . 22.0 m -66.52 -42.1 89.56 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.04 0 C-N-CA 119.604 -0.839 . . . . 0.0 110.121 177.633 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.927 ' CB ' HG21 ' B' ' 75' ' ' VAL . . . -62.77 -42.82 99.86 Favored 'General case' 0 CA--C 1.51 -0.585 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.149 179.045 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.02 -48.77 77.69 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-O 121.369 0.604 . . . . 0.0 109.841 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 87.8 mt -62.69 -40.87 98.47 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.498 -0.773 . . . . 0.0 109.159 176.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.481 ' O ' ' HB2' ' A' ' 86' ' ' ASN . 17.3 m -62.24 -51.53 67.4 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.284 179.305 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.672 HG11 ' HG3' ' B' ' 72' ' ' GLN . 5.1 p -63.17 -43.41 98.82 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.373 0 C-N-CA 119.896 -0.722 . . . . 0.0 111.226 178.654 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.0 -52.5 65.0 Favored 'General case' 0 N--CA 1.446 -0.65 0 C-N-CA 120.15 -0.62 . . . . 0.0 110.585 178.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.948 ' SD ' ' HB3' ' A' ' 47' ' ' ALA . 15.8 ttp -75.61 -42.37 51.98 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 119.816 -0.754 . . . . 0.0 111.459 -179.041 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.6 ' OD1' ' NE1' ' A' ' 90' ' ' TRP . 2.1 t-20 -63.46 -34.0 76.8 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 -178.559 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.692 ' HA ' ' CD2' ' A' ' 90' ' ' TRP . 16.4 t-20 -57.45 -38.08 73.89 Favored 'General case' 0 CA--C 1.513 -0.45 0 C-N-CA 120.424 -0.51 . . . . 0.0 109.645 175.123 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.46 ' HB3' ' O ' ' A' ' 85' ' ' MET . 90.1 t80 -59.02 -42.95 91.41 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 172.302 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.518 ' HB2' ' O ' ' A' ' 86' ' ' ASN . 20.0 m-30 -58.81 -42.92 90.28 Favored 'General case' 0 C--O 1.232 0.181 0 C-N-CA 120.282 -0.567 . . . . 0.0 109.495 174.398 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.707 ' HZ2' HD12 ' B' ' 12' ' ' ILE . 20.2 m0 . . . . . 0 CA--C 1.501 -0.933 0 CA-C-O 121.486 0.66 . . . . 0.0 109.512 179.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 18.1 m . . . . . 0 C--O 1.239 0.52 0 CA-C-O 120.794 0.331 . . . . 0.0 111.404 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . 0.4 ' H ' ' CD ' ' B' ' 3' ' ' GLU . 45.5 mp0 -55.86 -23.03 28.43 Favored 'General case' 0 CA--C 1.513 -0.465 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 175.55 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.69 HD12 HD23 ' A' ' 11' ' ' LEU . 2.9 mm? -61.32 -39.86 92.08 Favored 'General case' 0 N--CA 1.438 -1.033 0 CA-C-N 115.327 -0.851 . . . . 0.0 108.806 -178.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -61.68 -41.06 97.05 Favored 'General case' 0 N--CA 1.446 -0.673 0 C-N-CA 119.869 -0.732 . . . . 0.0 109.308 175.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 8.4 m -62.8 -45.8 90.93 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.135 0.493 . . . . 0.0 109.826 174.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.95 -47.47 82.82 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.53 -0.545 . . . . 0.0 109.53 177.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . 0.725 ' SD ' HD11 ' A' ' 11' ' ' LEU . 97.7 mmm -63.93 -41.87 97.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.326 177.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 72.6 mt-10 -66.73 -34.54 78.07 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 120.64 -0.424 . . . . 0.0 111.502 177.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.433 ' O ' HG23 ' B' ' 14' ' ' VAL . 9.0 m -58.29 -43.19 87.92 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 175.148 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.938 HD23 ' CD1' ' A' ' 4' ' ' LEU . 67.7 mt -61.85 -42.06 98.59 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.687 175.247 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.707 HD12 ' HZ2' ' A' ' 90' ' ' TRP . 21.1 mm -63.08 -44.16 99.38 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 CA-C-O 121.133 0.492 . . . . 0.0 109.789 -178.537 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 51.3 m-80 -62.41 -41.61 98.81 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.698 -175.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.649 HG21 HD21 ' A' ' 4' ' ' LEU . 97.7 t -62.94 -44.22 99.49 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 176.703 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -57.38 -46.87 82.94 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 178.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -59.96 -45.3 93.12 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.231 175.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.51 ' O ' ' HG2' ' B' ' 21' ' ' LYS . . . -53.46 -34.42 57.86 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.009 -178.619 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 86.8 m-70 -88.41 -36.49 16.5 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 178.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 73.4 m -57.68 -42.54 83.85 Favored 'General case' 0 C--O 1.239 0.548 0 C-N-CA 120.267 -0.573 . . . . 0.0 110.131 179.487 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.48 -40.28 92.02 Favored Glycine 0 N--CA 1.446 -0.634 0 N-CA-C 109.454 -1.458 . . . . 0.0 109.454 177.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . 0.51 ' HG2' ' O ' ' B' ' 17' ' ' ALA . 11.4 mmtp -71.62 -48.32 48.71 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.101 0.477 . . . . 0.0 109.839 178.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.403 ' HB2' ' OG ' ' B' ' 29' ' ' SER . 0.2 OUTLIER -66.21 -46.14 78.29 Favored 'General case' 0 C--O 1.238 0.481 0 N-CA-C 114.108 1.151 . . . . 0.0 114.108 -171.357 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 162.86 -69.53 0.22 Allowed Glycine 0 C--O 1.238 0.381 0 C-N-CA 119.292 -1.432 . . . . 0.0 112.883 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . 0.433 ' HB3' ' HB2' ' B' ' 27' ' ' LYS . 38.8 t70 -71.14 161.18 31.55 Favored 'General case' 0 CA--C 1.509 -0.625 0 CA-C-O 121.366 0.603 . . . . 0.0 112.14 -175.775 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.475 ' H ' ' HG2' ' B' ' 25' ' ' LYS . 7.0 pttm -55.52 -40.15 71.43 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 114.718 -1.128 . . . . 0.0 108.962 175.491 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.483 ' CG ' ' CE3' ' A' ' 90' ' ' TRP . 1.7 p90 -148.95 93.63 2.13 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.244 172.41 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.433 ' HB2' ' HB3' ' B' ' 24' ' ' ASP . 7.2 mmmm -159.51 158.83 32.6 Favored 'General case' 0 CA--C 1.49 -1.329 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 171.291 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.423 HD11 ' HB2' ' B' ' 32' ' ' GLU . 52.1 tp -125.45 126.44 44.93 Favored 'General case' 0 C--N 1.3 -1.577 0 C-N-CA 120.169 -0.612 . . . . 0.0 109.415 173.331 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.403 ' OG ' ' HB2' ' B' ' 22' ' ' GLU . 6.0 p -88.64 161.36 16.92 Favored 'General case' 0 N--CA 1.433 -1.276 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 171.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.749 ' NZ ' ' HA ' ' B' ' 62' ' ' ASP . 11.3 mmmm -69.34 -4.54 18.63 Favored 'General case' 0 C--N 1.3 -1.569 0 C-N-CA 120.284 -0.567 . . . . 0.0 110.352 -178.282 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 54.2 mttm -61.55 -47.14 86.91 Favored 'General case' 0 CA--C 1.508 -0.636 0 CA-C-N 114.916 -1.038 . . . . 0.0 109.164 -177.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.472 ' O ' ' N ' ' B' ' 36' ' ' LEU . 4.5 mt-10 -101.54 -22.14 14.57 Favored 'General case' 0 C--O 1.213 -0.857 0 CA-C-N 114.853 -1.067 . . . . 0.0 110.969 -175.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.711 HD11 ' CD2' ' B' ' 77' ' ' LEU . 2.8 tm? -57.39 -42.53 82.4 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 -177.738 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -62.49 -45.33 93.52 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 119.699 -0.8 . . . . 0.0 110.104 178.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.402 ' O ' ' OG1' ' B' ' 39' ' ' THR . 99.7 mt-10 -68.25 -43.98 76.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.811 0.815 . . . . 0.0 109.849 177.769 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.519 HD21 ' CE1' ' B' ' 74' ' ' TYR . 22.3 tp -61.08 -48.15 83.02 Favored 'General case' 0 C--N 1.304 -1.398 0 CA-C-N 114.643 -1.162 . . . . 0.0 111.966 179.151 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.768 HD11 HD11 ' B' ' 81' ' ' LEU . 0.1 OUTLIER -62.37 -47.67 83.16 Favored 'General case' 0 C--N 1.316 -0.859 0 C-N-CA 120.163 -0.615 . . . . 0.0 110.343 -176.735 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.736 ' HB2' HD22 ' B' ' 45' ' ' LEU . 15.7 pt20 -64.88 -43.45 92.9 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.298 -0.561 . . . . 0.0 110.996 176.579 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 70.8 m -62.73 -53.16 58.62 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.617 -177.028 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.426 ' HG3' HG11 ' B' ' 14' ' ' VAL . 68.3 mm-40 -73.82 -39.25 64.21 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 -176.737 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.481 ' HA ' ' CG ' ' A' ' 5' ' ' GLU . 10.8 mp -92.6 44.89 1.17 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.83 0.348 . . . . 0.0 110.49 176.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 51.6 m -53.61 -44.22 69.27 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.819 -175.389 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -66.76 -50.36 48.57 Favored Glycine 0 C--O 1.242 0.644 0 C-N-CA 120.649 -0.786 . . . . 0.0 111.298 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.639 ' HD1' ' SD ' ' B' ' 85' ' ' MET . 79.8 m-85 -66.42 -41.36 89.35 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-O 121.275 0.56 . . . . 0.0 110.118 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.736 HD22 ' HB2' ' B' ' 38' ' ' GLN . 2.0 tp -48.0 -51.36 24.23 Favored 'General case' 0 CA--C 1.504 -0.794 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.852 -179.515 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -62.69 -42.37 99.6 Favored 'General case' 0 C--N 1.3 -1.553 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.923 -177.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . 0.599 ' HB3' ' SD ' ' B' ' 85' ' ' MET . . . -70.9 -41.15 71.67 Favored 'General case' 0 C--N 1.313 -0.993 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -175.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.585 ' NE2' ' HA ' ' B' ' 45' ' ' LEU . 1.7 mt-30 -71.15 -16.51 62.54 Favored 'General case' 0 C--N 1.313 -0.987 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -171.474 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -58.19 -40.68 82.15 Favored 'General case' 0 CA--C 1.5 -0.972 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 -176.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -66.4 -30.84 71.3 Favored 'General case' 0 C--N 1.309 -1.195 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.598 178.093 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 54.6 t -69.2 -41.56 81.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.773 -178.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.462 ' OD2' ' NZ ' ' B' ' 56' ' ' LYS . 0.7 OUTLIER 73.63 -7.18 1.62 Allowed 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 115.002 -0.999 . . . . 0.0 111.539 -176.914 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.666 ' O ' HG23 ' B' ' 57' ' ' VAL . . . -69.19 -37.69 78.25 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 174.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.537 ' HA ' HD21 ' B' ' 81' ' ' LEU . 7.6 p -57.08 -42.77 80.06 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.443 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.781 179.019 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.415 ' HB3' ' O ' ' B' ' 52' ' ' ASP . 1.5 t70 -53.15 -53.1 55.49 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.788 175.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . 0.462 ' NZ ' ' OD2' ' B' ' 52' ' ' ASP . 21.0 mttp -65.83 -40.86 92.18 Favored 'General case' 0 C--N 1.298 -1.638 0 CA-C-N 114.636 -1.165 . . . . 0.0 111.353 -178.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.666 HG23 ' O ' ' B' ' 53' ' ' ALA . 60.0 t -62.13 -45.83 97.85 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 177.124 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . 0.419 ' SD ' HD13 ' B' ' 37' ' ' LEU . 2.1 mtm -61.75 -42.26 98.74 Favored 'General case' 0 CA--C 1.5 -0.948 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 177.422 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . 0.629 ' HB2' ' HZ2' ' B' ' 59' ' ' LYS . 0.1 OUTLIER -62.39 -42.51 99.48 Favored 'General case' 0 C--N 1.305 -1.361 0 CA-C-N 114.717 -1.129 . . . . 0.0 109.831 -177.855 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' B' ' 64' ' ' ASN . 42.1 tt0 -59.39 -42.51 91.89 Favored 'General case' 0 CA--C 1.517 -0.315 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 177.032 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.672 ' HG ' HD13 ' B' ' 77' ' ' LEU . 1.9 mm? -62.4 -39.03 91.92 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.132 -0.486 . . . . 0.0 109.889 173.144 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.749 ' HA ' ' NZ ' ' B' ' 30' ' ' LYS . 59.2 m-20 -66.5 -39.35 88.66 Favored 'General case' 0 C--N 1.316 -0.867 0 C-N-CA 120.26 -0.576 . . . . 0.0 111.03 176.552 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -65.8 -41.74 91.56 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 172.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . 0.49 ' C ' ' H ' ' B' ' 66' ' ' ASP . 2.0 m-80 -75.83 -1.55 25.76 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 114.973 -1.012 . . . . 0.0 109.833 175.53 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' B' ' 61' ' ' LEU . . . -74.75 44.19 1.47 Allowed Glycine 0 N--CA 1.449 -0.47 0 N-CA-C 108.753 -1.739 . . . . 0.0 108.753 175.141 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.49 ' H ' ' C ' ' B' ' 64' ' ' ASN . 16.9 t70 -64.11 -39.14 93.39 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 115.055 -0.573 . . . . 0.0 110.15 -176.139 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -138.11 -77.82 0.07 OUTLIER Glycine 0 C--N 1.318 -0.437 0 N-CA-C 109.942 -1.263 . . . . 0.0 109.942 178.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.406 ' OE2' ' NZ ' ' B' ' 27' ' ' LYS . 1.6 mp0 -133.67 166.6 22.23 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 178.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.754 HG23 ' CB ' ' B' ' 73' ' ' GLU . 1.8 p -110.4 125.16 67.65 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.665 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 172.111 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.32 -173.83 2.89 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-O 121.074 0.464 . . . . 0.0 110.455 -178.163 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.63 ' O ' HG22 ' B' ' 75' ' ' VAL . 64.3 t80 -60.27 -44.7 95.1 Favored 'General case' 0 C--N 1.309 -1.195 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.565 179.322 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.672 ' HG3' HG11 ' A' ' 83' ' ' VAL . 25.4 mt-30 -59.22 -42.12 90.27 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.89 177.617 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.754 ' CB ' HG23 ' B' ' 69' ' ' VAL . 46.1 mt-10 -69.73 -41.21 75.58 Favored 'General case' 0 C--O 1.24 0.57 0 C-N-CA 119.861 -0.735 . . . . 0.0 110.762 175.523 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . 0.519 ' CE1' HD21 ' B' ' 36' ' ' LEU . 29.6 t80 -61.18 -48.67 80.5 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.318 178.667 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.927 HG21 ' CB ' ' A' ' 79' ' ' ALA . 27.6 m -64.86 -43.0 96.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 C-N-CA 120.261 -0.576 . . . . 0.0 112.5 -179.56 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 13.1 p -64.65 -39.66 86.39 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 C-N-CA 120.292 -0.563 . . . . 0.0 110.305 -178.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.755 HD21 HD12 ' B' ' 37' ' ' LEU . 52.6 tp -61.03 -48.0 83.8 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.569 -179.479 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 22.3 m -67.48 -42.26 86.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 C-N-CA 119.755 -0.778 . . . . 0.0 110.462 175.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.92 ' CB ' HG21 ' A' ' 75' ' ' VAL . . . -64.17 -41.25 97.21 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.728 -179.039 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . 0.533 ' O ' HG12 ' B' ' 83' ' ' VAL . . . -60.4 -44.63 95.5 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 177.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.768 HD11 HD11 ' B' ' 37' ' ' LEU . 97.4 mt -63.46 -41.75 98.62 Favored 'General case' 0 C--N 1.305 -1.326 0 CA-C-N 114.864 -1.062 . . . . 0.0 109.981 175.34 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.437 ' O ' ' HB2' ' B' ' 86' ' ' ASN . 17.7 m -61.66 -48.92 78.64 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.86 177.037 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.533 HG12 ' O ' ' B' ' 80' ' ' ALA . 0.4 OUTLIER -63.9 -42.11 94.72 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.354 179.683 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -51.29 -60.83 2.69 Favored 'General case' 0 C--O 1.239 0.502 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.433 -179.066 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 85' ' ' MET . . . . . 0.639 ' SD ' ' HD1' ' B' ' 44' ' ' PHE . 87.2 mtp -66.27 -41.6 89.63 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.583 -0.447 . . . . 0.0 112.03 176.702 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.437 ' HB2' ' O ' ' B' ' 82' ' ' THR . 28.3 m-80 -62.24 -40.27 95.62 Favored 'General case' 0 CA--C 1.497 -1.065 0 C-N-CA 119.86 -0.736 . . . . 0.0 111.671 -179.395 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -58.64 -40.68 84.08 Favored 'General case' 0 N--CA 1.443 -0.789 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 175.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -61.07 -45.23 95.58 Favored 'General case' 0 C--O 1.212 -0.887 0 C-N-CA 120.08 -0.648 . . . . 0.0 110.38 170.157 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 19.6 m-30 . . . . . 0 C--N 1.326 -0.443 0 C-N-CA 120.073 -0.651 . . . . 0.0 109.711 178.969 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m . . . . . 0 C--O 1.237 0.408 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -59.35 -38.28 80.0 Favored 'General case' 0 CA--C 1.507 -0.684 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 175.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.923 HD21 HG21 ' B' ' 14' ' ' VAL . 4.3 mm? -61.54 -44.47 96.98 Favored 'General case' 0 C--N 1.314 -0.95 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 178.027 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.435 ' HG2' ' CD1' ' B' ' 44' ' ' PHE . 99.4 mt-10 -64.39 -42.4 96.14 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.067 -0.969 . . . . 0.0 109.674 175.558 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.1 m -61.22 -45.73 93.36 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.555 178.148 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.496 ' HB1' ' HB1' ' B' ' 7' ' ' ALA . . . -61.29 -41.84 97.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.099 177.438 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.504 ' HG2' ' O ' ' A' ' 4' ' ' LEU . 93.1 mmm -64.47 -40.8 96.36 Favored 'General case' 0 C--O 1.238 0.493 0 C-N-CA 120.603 -0.439 . . . . 0.0 110.964 177.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -64.21 -38.11 89.87 Favored 'General case' 0 CA--C 1.515 -0.371 0 C-N-CA 120.053 -0.659 . . . . 0.0 109.891 176.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 18.0 m -57.11 -46.04 82.93 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.503 HD11 ' SD ' ' B' ' 8' ' ' MET . 94.7 mt -63.85 -41.18 97.85 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.256 175.6 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.439 HD13 ' CE1' ' A' ' 71' ' ' PHE . 24.1 mm -62.89 -43.25 98.79 Favored 'Isoleucine or valine' 0 C--O 1.237 0.42 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.199 178.656 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -59.46 -44.53 92.97 Favored 'General case' 0 CA--C 1.509 -0.611 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 -178.06 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.58 HG21 HD21 ' B' ' 4' ' ' LEU . 74.3 t -67.29 -43.81 87.82 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.312 175.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.477 ' CE1' ' HB2' ' A' ' 28' ' ' LEU . 69.5 t80 -57.85 -46.63 84.5 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.615 ' NE2' ' OD1' ' B' ' 86' ' ' ASN . 11.9 m-70 -60.49 -48.0 83.68 Favored 'General case' 0 CA--C 1.503 -0.862 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.975 179.522 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.539 ' O ' ' HG2' ' A' ' 21' ' ' LYS . . . -55.28 -50.19 70.16 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.933 -175.807 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.429 ' HB3' ' HB3' ' A' ' 32' ' ' GLU . 94.9 m-70 -67.49 -40.29 85.22 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 177.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 28.0 m -56.96 -41.42 78.27 Favored 'General case' 0 C--O 1.24 0.581 0 CA-C-O 121.706 0.765 . . . . 0.0 109.05 175.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.99 -40.09 95.04 Favored Glycine 0 N--CA 1.444 -0.79 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.211 -179.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.539 ' HG2' ' O ' ' A' ' 17' ' ' ALA . 43.2 mmtm -66.65 -48.37 69.6 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.757 -0.377 . . . . 0.0 111.32 -174.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.552 ' HG2' ' HD2' ' A' ' 31' ' ' LYS . 70.9 mt-10 -70.14 -44.92 67.88 Favored 'General case' 0 C--O 1.24 0.573 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.17 -171.179 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 152.71 -25.46 0.84 Allowed Glycine 0 CA--C 1.533 1.193 0 C-N-CA 119.7 -1.238 . . . . 0.0 114.525 176.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.501 ' CB ' ' HB2' ' A' ' 27' ' ' LYS . 6.3 t70 -77.38 160.74 28.54 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 117.924 0.862 . . . . 0.0 112.366 -175.535 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.528 ' HB3' ' CD2' ' A' ' 26' ' ' TYR 0.254 74.2 mmtt -62.81 -49.41 75.06 Favored 'General case' 0 CA--C 1.486 -1.518 0 N-CA-C 107.292 -1.373 . . . . 0.0 107.292 171.345 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.528 ' CD2' ' HB3' ' A' ' 25' ' ' LYS . 1.1 p90 -158.33 92.52 1.16 Allowed 'General case' 0 N--CA 1.416 -2.126 0 CA-C-N 113.602 -1.636 . . . . 0.0 109.988 178.528 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.501 ' HB2' ' CB ' ' A' ' 24' ' ' ASP . 21.5 mmmt -156.31 157.23 35.35 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 106.09 -1.818 . . . . 0.0 106.09 172.615 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.517 HD21 HD23 ' A' ' 36' ' ' LEU . 38.3 tp -123.05 127.94 49.46 Favored 'General case' 0 C--N 1.302 -1.491 0 C-N-CA 119.784 -0.766 . . . . 0.0 109.18 176.638 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.449 ' HB2' ' HG3' ' A' ' 31' ' ' LYS . 0.9 OUTLIER -105.01 -178.33 3.62 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 179.942 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.586 ' CE ' ' HA ' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -82.74 -5.42 58.9 Favored 'General case' 0 C--N 1.307 -1.248 0 C-N-CA 119.601 -0.839 . . . . 0.0 111.664 -175.335 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.552 ' HD2' ' HG2' ' A' ' 22' ' ' GLU . 35.8 mttt -65.56 -45.42 83.4 Favored 'General case' 0 CA--C 1.505 -0.779 0 N-CA-C 107.651 -1.24 . . . . 0.0 107.651 179.059 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 36' ' ' LEU . 74.8 mm-40 -97.25 -40.68 8.65 Favored 'General case' 0 N--CA 1.431 -1.389 0 CA-C-N 113.908 -1.496 . . . . 0.0 112.093 -174.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.628 ' C ' HD13 ' A' ' 33' ' ' LEU . 2.7 tm? -58.87 -44.94 91.18 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 120.947 -0.301 . . . . 0.0 111.434 -172.423 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.4 mtpp -61.71 -42.01 98.38 Favored 'General case' 0 C--N 1.313 -1.021 0 C-N-CA 120.159 -0.616 . . . . 0.0 109.528 -179.174 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -72.67 -43.6 62.93 Favored 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.551 177.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.702 HD21 ' CE1' ' A' ' 74' ' ' TYR . 2.9 tp -61.45 -48.53 80.73 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.214 -0.903 . . . . 0.0 112.321 -178.695 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.816 HD12 ' SD ' ' A' ' 58' ' ' MET . 2.8 tm? -62.5 -46.57 87.85 Favored 'General case' 0 C--N 1.317 -0.846 0 C-N-CA 119.935 -0.706 . . . . 0.0 110.962 -174.364 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.699 ' HA ' HD22 ' A' ' 45' ' ' LEU . 14.5 pt20 -65.57 -42.69 91.49 Favored 'General case' 0 C--N 1.316 -0.861 0 C-N-CA 120.146 -0.621 . . . . 0.0 110.24 176.118 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 97.8 m -64.16 -52.38 59.29 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 112.832 0.678 . . . . 0.0 112.832 -176.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.417 ' HG2' HD12 ' A' ' 36' ' ' LEU . 75.3 mm-40 -76.15 -39.87 53.96 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 113.255 0.835 . . . . 0.0 113.255 -174.243 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.583 HD22 HD21 ' A' ' 37' ' ' LEU . 10.2 mp -87.32 38.08 0.8 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.027 0.441 . . . . 0.0 111.126 -179.009 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -41.83 -56.14 2.81 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-N 115.569 -0.741 . . . . 0.0 112.151 -178.346 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.411 ' H ' ' CD ' ' B' ' 5' ' ' GLU . . . -66.05 -43.79 92.72 Favored Glycine 0 C--N 1.317 -0.492 0 N-CA-C 111.67 -0.572 . . . . 0.0 111.67 -178.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.619 ' HA ' ' SD ' ' A' ' 85' ' ' MET . 47.4 m-85 -66.79 -42.66 85.65 Favored 'General case' 0 CA--C 1.498 -1.032 0 CA-C-O 121.261 0.553 . . . . 0.0 109.952 179.476 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.699 HD22 ' HA ' ' A' ' 38' ' ' GLN . 49.6 tp -61.71 -47.82 83.56 Favored 'General case' 0 N--CA 1.432 -1.346 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.365 177.036 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.442 ' OD1' ' NZ ' ' A' ' 49' ' ' LYS . 29.4 t70 -62.77 -42.43 99.68 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.143 0.497 . . . . 0.0 110.791 177.718 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.841 ' HB3' ' SD ' ' A' ' 85' ' ' MET . . . -75.14 -10.19 59.24 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.799 -178.319 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 44.4 mm-40 -111.57 3.23 17.83 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 -177.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.442 ' NZ ' ' OD1' ' A' ' 46' ' ' ASP . 42.0 mtmt -60.54 -32.9 71.93 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 177.229 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -81.2 8.88 7.83 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.375 -0.829 . . . . 0.0 110.914 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.559 ' O ' HG12 ' A' ' 54' ' ' VAL . 75.5 t -120.08 130.67 74.02 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 CA-C-O 121.416 0.627 . . . . 0.0 110.91 -176.374 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -65.37 -39.94 92.92 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.389 177.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.526 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -58.05 -35.17 70.95 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.475 -0.784 . . . . 0.0 113.107 -171.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.577 ' HA ' HD21 ' A' ' 81' ' ' LEU . 7.1 p -57.59 -46.66 86.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 C-N-CA 119.744 -0.782 . . . . 0.0 111.001 -175.546 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 59' ' ' LYS . 23.6 t70 -58.47 -48.8 79.58 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.12 0.486 . . . . 0.0 110.089 177.518 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.438 ' HD2' ' N ' ' A' ' 56' ' ' LYS . 2.8 mptp? -65.98 -41.33 91.3 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.769 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.557 HG12 HD12 ' A' ' 77' ' ' LEU . 57.9 t -60.44 -46.07 95.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 174.465 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.816 ' SD ' HD12 ' A' ' 37' ' ' LEU . 30.4 mmm -62.09 -44.25 97.07 Favored 'General case' 0 CA--C 1.504 -0.798 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.012 178.638 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.508 ' NZ ' ' OE2' ' A' ' 63' ' ' GLU . 20.9 tptp -67.65 -46.44 72.43 Favored 'General case' 0 N--CA 1.435 -1.21 0 CA-C-N 114.843 -1.071 . . . . 0.0 111.028 -176.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 -58.84 -46.29 88.07 Favored 'General case' 0 C--O 1.241 0.614 0 C-N-CA 120.351 -0.54 . . . . 0.0 109.737 179.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.663 ' HG ' HD13 ' A' ' 77' ' ' LEU . 1.8 mm? -63.7 -40.22 96.24 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.45 174.776 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.586 ' HA ' ' CE ' ' A' ' 30' ' ' LYS . 36.2 t70 -61.43 -42.71 99.18 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 120.273 -0.571 . . . . 0.0 110.452 177.47 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.508 ' OE2' ' NZ ' ' A' ' 59' ' ' LYS . 74.0 mm-40 -57.32 -46.25 83.44 Favored 'General case' 0 CA--C 1.512 -0.517 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 178.394 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.499 ' C ' ' H ' ' A' ' 66' ' ' ASP . 10.0 t-20 -65.23 -41.88 93.95 Favored 'General case' 0 CA--C 1.502 -0.88 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.443 178.346 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.551 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . . . -69.88 40.61 0.43 Allowed Glycine 0 C--O 1.238 0.404 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 178.377 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.499 ' H ' ' C ' ' A' ' 64' ' ' ASN . 32.7 t70 -63.77 -35.06 79.34 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 177.261 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -108.98 -66.53 0.58 Allowed Glycine 0 C--N 1.32 -0.348 0 N-CA-C 109.302 -1.519 . . . . 0.0 109.302 175.181 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.413 ' OE1' ' NZ ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -138.9 170.48 15.91 Favored 'General case' 0 CA--C 1.511 -0.526 0 CA-C-O 120.658 0.266 . . . . 0.0 110.366 177.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.475 HG11 ' HG ' ' A' ' 33' ' ' LEU . 1.5 p -125.41 129.58 72.93 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.099 0 N-CA-C 107.542 -1.281 . . . . 0.0 107.542 169.567 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -94.03 -179.89 5.11 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 119.733 -0.787 . . . . 0.0 111.851 -174.124 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.439 ' CE1' HD13 ' A' ' 12' ' ' ILE . 48.1 t80 -61.25 -44.57 97.03 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.948 -179.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.719 HE21 HG11 ' B' ' 83' ' ' VAL . 76.7 mt-30 -59.93 -44.3 94.43 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.992 179.015 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.461 ' HA ' HG12 ' A' ' 76' ' ' VAL . 61.2 mt-10 -66.48 -40.6 89.42 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 121.1 0.476 . . . . 0.0 110.524 174.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.702 ' CE1' HD21 ' A' ' 36' ' ' LEU . 32.2 t80 -60.37 -47.96 83.81 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.435 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.694 HG21 ' CB ' ' B' ' 79' ' ' ALA . 18.6 m -63.47 -42.86 97.7 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 C-N-CA 119.645 -0.822 . . . . 0.0 111.422 179.219 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.461 HG12 ' HA ' ' A' ' 73' ' ' GLU . 14.1 p -67.49 -37.35 78.7 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.759 0 C-N-CA 119.922 -0.711 . . . . 0.0 110.915 -179.221 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.663 HD13 ' HG ' ' A' ' 61' ' ' LEU . 53.2 tp -60.78 -47.66 85.32 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.232 -0.587 . . . . 0.0 109.834 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.597 HG12 HD23 ' A' ' 37' ' ' LEU . 10.4 m -70.41 -43.05 78.5 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 C-N-CA 120.452 -0.499 . . . . 0.0 111.001 175.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.712 ' CB ' HG21 ' B' ' 75' ' ' VAL . . . -64.77 -38.92 92.62 Favored 'General case' 0 CA--C 1.511 -0.553 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.32 179.788 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 76' ' ' VAL . . . -56.79 -48.13 78.61 Favored 'General case' 0 CA--C 1.509 -0.63 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 178.723 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.577 HD21 ' HA ' ' A' ' 54' ' ' VAL . 99.5 mt -63.75 -41.17 98.05 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 115.025 -0.989 . . . . 0.0 109.773 174.797 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.478 HG21 ' HB3' ' B' ' 8' ' ' MET . 22.7 m -61.74 -51.05 69.93 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.546 -179.422 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 13.2 p -62.56 -44.34 99.27 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.424 0 C-N-CA 120.106 -0.637 . . . . 0.0 109.8 179.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.58 -51.61 68.79 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.256 177.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.841 ' SD ' ' HB3' ' A' ' 47' ' ' ALA . 9.2 ttt -71.13 -44.75 64.97 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.073 -0.651 . . . . 0.0 111.561 -179.804 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.429 ' HB2' ' O ' ' A' ' 82' ' ' THR . 8.2 m120 -65.94 -25.05 66.95 Favored 'General case' 0 CA--C 1.499 -1.006 0 C-N-CA 120.953 -0.299 . . . . 0.0 111.23 -177.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -55.95 -35.87 67.16 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 178.183 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -60.1 -41.15 91.91 Favored 'General case' 0 C--O 1.214 -0.771 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.953 178.028 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -55.85 -46.8 78.1 Favored 'General case' 0 CA--C 1.512 -0.487 0 CA-C-O 120.989 0.423 . . . . 0.0 110.661 -176.013 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.509 ' CE2' ' CD2' ' B' ' 16' ' ' HIS . 37.4 m95 . . . . . 0 C--N 1.303 -1.433 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.107 -177.109 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . 0.418 ' O ' ' N ' ' B' ' 5' ' ' GLU . 18.8 m . . . . . 0 N--CA 1.449 -0.498 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . 0.459 ' H ' ' CD ' ' B' ' 3' ' ' GLU . 2.0 mp0 -51.4 -24.72 5.16 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 177.003 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.58 HD21 HG21 ' A' ' 14' ' ' VAL . 8.5 mp -61.74 -42.24 98.71 Favored 'General case' 0 N--CA 1.442 -0.851 0 CA-C-N 115.21 -0.905 . . . . 0.0 109.658 177.602 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' B' ' 2' ' ' SER . 31.0 mt-10 -62.49 -42.94 99.84 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 178.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 8.0 m -62.13 -44.57 96.34 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-N 115.272 -0.876 . . . . 0.0 109.103 173.156 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.496 ' HB1' ' HB1' ' A' ' 7' ' ' ALA . . . -57.34 -45.08 84.69 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.995 178.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . 0.503 ' SD ' HD11 ' A' ' 11' ' ' LEU . 95.9 mmm -63.45 -41.88 98.65 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.332 -0.547 . . . . 0.0 109.879 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . 0.404 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 70.0 mt-10 -65.35 -37.14 86.15 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 120.325 -0.55 . . . . 0.0 110.463 173.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.597 ' O ' HG23 ' B' ' 14' ' ' VAL . 8.7 m -58.81 -43.19 90.5 Favored 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 176.327 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.714 HD23 ' CD1' ' A' ' 4' ' ' LEU . 99.4 mt -62.51 -42.6 99.62 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.969 175.011 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.539 HD13 ' CD1' ' B' ' 71' ' ' PHE . 18.4 mm -62.76 -46.09 97.22 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.003 -178.256 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . 0.404 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 50.2 m-80 -63.75 -42.28 97.88 Favored 'General case' 0 C--N 1.312 -1.065 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.255 -176.451 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.923 HG21 HD21 ' A' ' 4' ' ' LEU . 77.8 t -64.19 -46.78 92.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 175.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.595 ' CE2' ' HB2' ' B' ' 28' ' ' LEU . 64.1 t80 -57.2 -47.53 81.05 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.36 -0.837 . . . . 0.0 108.781 176.293 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.509 ' CD2' ' CE2' ' A' ' 90' ' ' TRP . 2.2 t-80 -61.51 -44.06 97.74 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.336 -179.031 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.02 -43.33 60.86 Favored 'General case' 0 CA--C 1.508 -0.661 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 -178.164 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.507 ' CD2' HD22 ' B' ' 36' ' ' LEU . 97.5 m-70 -69.22 -39.2 78.7 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-N 115.021 -0.991 . . . . 0.0 111.001 175.232 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 75.5 m -56.58 -40.48 75.29 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 176.543 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.19 -48.2 81.83 Favored Glycine 0 N--CA 1.443 -0.863 0 N-CA-C 109.799 -1.32 . . . . 0.0 109.799 176.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 65.4 mmtt -66.35 -40.6 89.93 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.747 0.308 . . . . 0.0 111.309 178.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.481 ' HG3' ' H ' ' B' ' 24' ' ' ASP . 4.7 tp10 -63.57 -35.17 79.61 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.305 176.346 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 107.01 -13.13 41.12 Favored Glycine 0 C--O 1.237 0.338 0 C-N-CA 121.141 -0.552 . . . . 0.0 111.786 175.438 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . 0.481 ' H ' ' HG3' ' B' ' 22' ' ' GLU . 9.4 t70 -77.83 148.7 34.59 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.616 -0.434 . . . . 0.0 110.337 177.558 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.405 ' HE2' ' CZ ' ' B' ' 26' ' ' TYR . 18.0 pttm -63.49 -30.87 71.93 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 120.476 -0.49 . . . . 0.0 110.356 176.379 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.405 ' CZ ' ' HE2' ' B' ' 25' ' ' LYS . 2.1 p90 -164.17 93.35 0.69 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.651 170.546 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.522 ' HE2' ' HB2' ' B' ' 68' ' ' GLU . 1.1 mmtm -164.12 161.41 22.33 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 114.835 -1.075 . . . . 0.0 108.521 172.064 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.595 ' HB2' ' CE2' ' B' ' 15' ' ' PHE . 47.3 tp -124.64 121.27 34.24 Favored 'General case' 0 C--N 1.306 -1.289 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 174.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 11.3 p -85.89 170.71 12.11 Favored 'General case' 0 C--N 1.315 -0.928 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 176.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.624 ' CE ' ' HA ' ' B' ' 62' ' ' ASP . 3.8 mmmm -72.66 -6.36 43.82 Favored 'General case' 0 C--N 1.315 -0.9 0 C-N-CA 120.139 -0.624 . . . . 0.0 109.786 179.145 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 22.0 mttm -63.53 -65.91 0.62 Allowed 'General case' 0 CA--C 1.511 -0.553 0 CA-C-O 122.311 1.053 . . . . 0.0 108.286 177.298 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.492 ' CB ' ' HB3' ' B' ' 18' ' ' HIS . 70.8 mm-40 -72.86 -39.52 66.43 Favored 'General case' 0 N--CA 1.431 -1.423 0 CA-C-N 113.553 -1.658 . . . . 0.0 112.749 -175.524 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.583 HD13 ' C ' ' B' ' 33' ' ' LEU . 3.0 tm? -59.15 -43.96 92.07 Favored 'General case' 0 CA--C 1.51 -0.582 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.203 -173.073 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.494 ' NZ ' ' HB3' ' B' ' 34' ' ' LYS . 9.3 mtpm? -63.02 -43.02 99.89 Favored 'General case' 0 C--N 1.315 -0.907 0 C-N-CA 120.255 -0.578 . . . . 0.0 110.299 179.353 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.439 ' O ' ' OG1' ' B' ' 39' ' ' THR . 69.2 mm-40 -66.09 -46.6 77.09 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 177.294 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.721 HD21 ' CE1' ' B' ' 74' ' ' TYR . 9.1 tp -62.03 -51.39 68.2 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-N 114.564 -1.198 . . . . 0.0 113.611 -178.053 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.643 HD12 ' SD ' ' B' ' 58' ' ' MET . 2.9 tm? -63.53 -47.61 80.94 Favored 'General case' 0 C--N 1.316 -0.856 0 C-N-CA 119.786 -0.766 . . . . 0.0 111.527 -172.45 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -66.14 -41.54 90.29 Favored 'General case' 0 C--N 1.314 -0.957 0 C-N-CA 120.286 -0.566 . . . . 0.0 110.485 178.191 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.439 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 68.8 m -64.84 -55.73 17.75 Favored 'General case' 0 C--O 1.244 0.796 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -177.588 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -70.88 -40.44 72.25 Favored 'General case' 0 CA--C 1.51 -0.571 0 N-CA-C 112.629 0.603 . . . . 0.0 112.629 -176.516 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.439 HD21 ' HB ' ' B' ' 78' ' ' VAL . 9.2 mp -98.23 21.9 10.3 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.62 -179.666 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -48.73 -36.24 15.9 Favored 'General case' 0 N--CA 1.443 -0.782 0 C-N-CA 120.604 -0.438 . . . . 0.0 110.375 -179.273 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -64.76 -51.09 54.8 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 110.894 -0.883 . . . . 0.0 110.894 175.348 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.435 ' CD1' ' HG2' ' A' ' 5' ' ' GLU . 41.2 m-85 -63.81 -43.12 97.23 Favored 'General case' 0 CA--C 1.509 -0.628 0 CA-C-O 121.225 0.536 . . . . 0.0 110.386 176.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.517 ' O ' HD12 ' B' ' 45' ' ' LEU . 2.3 tp -59.14 -47.95 83.4 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.476 179.704 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -65.05 -41.09 95.47 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-O 121.076 0.465 . . . . 0.0 110.662 173.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . 0.442 ' HB1' ' SD ' ' B' ' 85' ' ' MET . . . -59.7 -47.83 84.09 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.922 -176.506 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.53 ' NE2' ' SD ' ' B' ' 85' ' ' MET . 0.0 OUTLIER -109.69 23.04 14.95 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -179.181 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.472 ' O ' ' NZ ' ' B' ' 49' ' ' LYS . 0.3 OUTLIER -59.58 -29.74 68.16 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 177.901 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 30.4 p-10 -78.44 -5.9 53.77 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.232 -177.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . 0.797 ' O ' HG12 ' B' ' 54' ' ' VAL . 57.5 t -85.02 127.95 39.43 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.655 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 177.663 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -59.35 -39.17 82.33 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-O 121.358 0.599 . . . . 0.0 110.002 -179.046 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.718 ' O ' HG23 ' B' ' 57' ' ' VAL . . . -58.67 -24.59 61.56 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-N 115.375 -0.83 . . . . 0.0 112.185 -178.545 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.797 HG12 ' O ' ' B' ' 51' ' ' VAL . 9.4 p -57.77 -45.41 87.05 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 C-N-CA 120.067 -0.653 . . . . 0.0 110.963 -174.485 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -60.98 -48.03 83.71 Favored 'General case' 0 CA--C 1.51 -0.559 0 CA-C-O 121.73 0.776 . . . . 0.0 109.487 177.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . 0.47 ' HA ' ' HB3' ' B' ' 59' ' ' LYS . 59.6 mttm -64.37 -39.12 93.25 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 114.194 -1.367 . . . . 0.0 111.806 -178.26 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.718 HG23 ' O ' ' B' ' 53' ' ' ALA . 71.4 t -60.04 -46.76 93.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 176.615 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . 0.643 ' SD ' HD12 ' B' ' 37' ' ' LEU . 7.2 mmm -62.31 -43.38 98.96 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.675 0.75 . . . . 0.0 109.105 176.631 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . 0.47 ' HB3' ' HA ' ' B' ' 56' ' ' LYS . 28.0 tptp -63.58 -47.29 82.09 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-N 114.482 -1.236 . . . . 0.0 111.292 -176.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 78.8 tt0 -58.92 -42.76 90.46 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 -177.108 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.794 ' HG ' HD13 ' B' ' 77' ' ' LEU . 2.8 mm? -63.41 -41.01 98.72 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.777 174.444 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.624 ' HA ' ' CE ' ' B' ' 30' ' ' LYS . 44.1 t0 -60.14 -46.66 88.89 Favored 'General case' 0 N--CA 1.443 -0.81 0 C-N-CA 119.546 -0.862 . . . . 0.0 110.137 177.064 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.72 -45.92 90.5 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.595 178.567 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . 0.452 ' C ' ' H ' ' B' ' 66' ' ' ASP . 0.2 OUTLIER -63.81 -41.98 97.77 Favored 'General case' 0 CA--C 1.498 -1.047 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 178.454 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' B' ' 61' ' ' LEU . . . -69.48 50.64 0.62 Allowed Glycine 0 N--CA 1.444 -0.776 0 N-CA-C 109.684 -1.367 . . . . 0.0 109.684 178.206 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.452 ' H ' ' C ' ' B' ' 64' ' ' ASN . 33.6 t70 -61.69 -37.57 84.63 Favored 'General case' 0 CA--C 1.498 -1.052 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 178.414 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -113.52 -73.67 0.62 Allowed Glycine 0 C--N 1.316 -0.551 0 N-CA-C 109.644 -1.383 . . . . 0.0 109.644 175.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.522 ' HB2' ' HE2' ' B' ' 27' ' ' LYS . 0.9 OUTLIER -127.65 178.14 6.32 Favored 'General case' 0 C--N 1.314 -0.946 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 178.676 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.495 HG23 ' CB ' ' B' ' 73' ' ' GLU . 1.8 p -127.76 133.2 68.0 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.189 0 N-CA-C 107.784 -1.191 . . . . 0.0 107.784 169.795 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -98.07 -178.8 4.18 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 120.344 -0.542 . . . . 0.0 111.815 -174.049 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.539 ' CD1' HD13 ' B' ' 12' ' ' ILE . 65.8 t80 -61.4 -44.63 96.81 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.526 -179.222 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.44 ' O ' HG22 ' B' ' 75' ' ' VAL . 47.4 mt-30 -59.7 -42.7 93.57 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.825 178.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.514 ' HA ' HG12 ' B' ' 76' ' ' VAL . 91.0 mt-10 -67.39 -38.75 85.17 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.475 176.469 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . 0.721 ' CE1' HD21 ' B' ' 36' ' ' LEU . 32.0 t80 -60.72 -48.23 82.72 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.28 178.619 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.712 HG21 ' CB ' ' A' ' 79' ' ' ALA . 17.6 m -64.48 -42.69 95.98 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 C-N-CA 120.067 -0.653 . . . . 0.0 111.899 179.83 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.514 HG12 ' HA ' ' B' ' 73' ' ' GLU . 12.0 p -65.47 -39.65 85.82 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 C-N-CA 120.429 -0.508 . . . . 0.0 110.968 -178.133 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.794 HD13 ' HG ' ' B' ' 61' ' ' LEU . 57.4 tp -61.09 -48.27 82.45 Favored 'General case' 0 CA--C 1.515 -0.388 0 C-N-CA 120.412 -0.515 . . . . 0.0 110.063 -179.615 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.534 HG12 HD23 ' B' ' 37' ' ' LEU . 15.6 m -69.07 -41.55 81.62 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 C-N-CA 120.336 -0.546 . . . . 0.0 110.736 176.83 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.694 ' CB ' HG21 ' A' ' 75' ' ' VAL . . . -63.16 -40.09 96.53 Favored 'General case' 0 CA--C 1.507 -0.699 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.06 178.737 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . 0.655 ' O ' HG12 ' B' ' 83' ' ' VAL . . . -56.28 -48.74 76.02 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 -179.532 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.405 ' HG ' HG11 ' B' ' 57' ' ' VAL . 98.8 mt -65.57 -41.58 92.77 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.046 174.775 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 18.5 m -60.44 -46.14 91.12 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.579 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.719 HG11 HE21 ' A' ' 72' ' ' GLN . 2.7 p -62.68 -41.76 93.5 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.74 0 C-N-CA 120.402 -0.519 . . . . 0.0 109.831 178.063 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.05 -47.86 84.1 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 174.208 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 85' ' ' MET . . . . . 0.53 ' SD ' ' NE2' ' B' ' 48' ' ' GLN . 12.6 tpt -59.26 -43.79 92.44 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.7 177.168 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.615 ' OD1' ' NE2' ' A' ' 16' ' ' HIS . 32.5 t30 -62.34 -43.14 99.52 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.603 178.74 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 32.6 t30 -62.67 -44.42 96.29 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 120.39 -0.524 . . . . 0.0 110.389 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -64.69 -32.68 74.46 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.403 175.286 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 3.6 t80 . . . . . 0 N--CA 1.445 -0.682 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 -177.037 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.434 ' C ' ' N ' ' A' ' 4' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--O 1.24 0.554 0 CA-C-O 120.828 0.347 . . . . 0.0 111.6 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.457 ' H ' ' CD ' ' A' ' 3' ' ' GLU . 1.9 mp0 -41.78 -24.31 0.04 OUTLIER 'General case' 0 CA--C 1.509 -0.613 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.984 178.474 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.696 ' CD1' HD23 ' B' ' 11' ' ' LEU . 2.3 mm? -61.02 -42.41 98.42 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.819 -174.356 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.459 ' O ' ' HG3' ' A' ' 9' ' ' GLU . 93.2 mt-10 -65.92 -44.03 86.36 Favored 'General case' 0 N--CA 1.443 -0.787 0 C-N-CA 119.729 -0.788 . . . . 0.0 109.706 176.235 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 14.3 m -61.08 -45.55 94.28 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.813 176.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 3' ' ' GLU . . . -55.39 -47.75 75.4 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 178.67 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.529 ' HE1' ' HB2' ' B' ' 79' ' ' ALA . 94.9 mmm -64.7 -40.75 95.9 Favored 'General case' 0 C--O 1.239 0.55 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.672 177.561 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.459 ' HG3' ' O ' ' A' ' 5' ' ' GLU . 88.7 mt-10 -62.39 -37.54 86.13 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 177.685 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.3 m -59.59 -44.92 93.2 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 178.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.608 HD11 ' SD ' ' B' ' 8' ' ' MET . 85.5 mt -62.86 -40.77 98.49 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.241 175.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 22.1 mm -61.93 -45.53 98.5 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.54 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.053 -179.358 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -61.38 -44.74 96.64 Favored 'General case' 0 C--N 1.316 -0.863 0 C-N-CA 120.749 -0.38 . . . . 0.0 110.521 -177.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.78 HG21 HD11 ' B' ' 4' ' ' LEU . 74.2 t -63.99 -48.07 87.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 C-N-CA 120.56 -0.456 . . . . 0.0 110.048 177.443 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.535 ' CE2' ' HB2' ' A' ' 28' ' ' LEU . 56.8 t80 -61.09 -48.52 81.31 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.42 0.628 . . . . 0.0 109.892 177.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -60.57 -45.33 94.35 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.968 -1.015 . . . . 0.0 111.219 -175.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.14 -46.72 79.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.308 -0.405 . . . . 0.0 109.975 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.414 ' ND1' ' OE1' ' A' ' 32' ' ' GLU . 87.9 m-70 -67.22 -37.75 84.1 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.994 176.566 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.497 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 25.1 m -56.31 -41.12 75.47 Favored 'General case' 0 CA--C 1.511 -0.52 0 C-N-CA 120.156 -0.618 . . . . 0.0 109.471 177.01 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.51 -36.11 83.26 Favored Glycine 0 N--CA 1.445 -0.737 0 N-CA-C 110.481 -1.048 . . . . 0.0 110.481 178.141 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.5 mmtp -65.08 -47.22 78.03 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -175.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -152.88 -35.45 0.11 Allowed 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 112.616 0.599 . . . . 0.0 112.616 -178.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.5 91.6 0.17 Allowed Glycine 0 CA--C 1.526 0.722 0 C-N-CA 121.585 -0.341 . . . . 0.0 112.75 -172.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.523 ' CG ' ' H ' ' A' ' 25' ' ' LYS . 14.6 t70 37.87 -148.06 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 122.925 0.49 . . . . 0.0 110.288 174.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.523 ' H ' ' CG ' ' A' ' 24' ' ' ASP . 16.1 pttm -93.0 -34.32 13.78 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 169.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.473 ' O ' ' HG2' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -131.79 92.37 3.13 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.284 165.143 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.605 ' NZ ' ' HB2' ' A' ' 70' ' ' ASP . 30.9 mmtt -164.17 166.19 21.39 Favored 'General case' 0 CA--C 1.497 -1.092 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.339 175.625 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.623 ' CD2' HD23 ' A' ' 33' ' ' LEU . 45.8 tp -125.88 130.18 50.82 Favored 'General case' 0 C--N 1.296 -1.725 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 171.625 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -81.83 156.29 24.95 Favored 'General case' 0 C--N 1.316 -0.875 0 C-N-CA 119.686 -0.805 . . . . 0.0 109.55 -177.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.484 ' NZ ' ' O ' ' A' ' 65' ' ' GLY . 0.7 OUTLIER -69.93 -4.42 20.48 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 177.437 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.42 ' H ' ' HG3' ' A' ' 31' ' ' LYS . 30.9 mttt -79.58 -59.36 2.78 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 178.516 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.426 ' O ' ' HB3' ' A' ' 36' ' ' LEU . 80.6 mm-40 -66.77 -39.01 87.68 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-N 113.69 -1.595 . . . . 0.0 110.215 -179.528 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.694 HD21 HD23 ' A' ' 77' ' ' LEU . 2.8 tm? -59.18 -43.53 92.17 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.204 -171.703 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 50.2 mttp -62.36 -45.52 92.82 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 119.838 -0.745 . . . . 0.0 109.732 -178.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.446 ' HA ' HE21 ' A' ' 38' ' ' GLN . 76.6 mm-40 -72.45 -49.42 33.51 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.075 -177.166 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.52 ' HG ' ' N ' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -63.55 -44.36 94.38 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.817 -0.628 . . . . 0.0 111.484 -179.639 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.585 HD13 ' C ' ' A' ' 37' ' ' LEU . 3.0 tm? -61.98 -46.29 89.89 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 119.962 -0.695 . . . . 0.0 110.837 -177.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.446 HE21 ' HA ' ' A' ' 35' ' ' GLU . 27.4 pt20 -65.67 -40.45 92.41 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 119.611 -0.835 . . . . 0.0 110.393 176.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 97.8 m -62.95 -51.01 68.56 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.039 179.093 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.656 ' HB3' HD12 ' B' ' 4' ' ' LEU . 65.4 mm-40 -72.73 -39.43 66.91 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 120.392 -0.523 . . . . 0.0 112.142 -174.692 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.566 HD22 HD21 ' A' ' 37' ' ' LEU . 11.1 mp -105.57 31.91 4.66 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 111.886 0.328 . . . . 0.0 111.886 -176.447 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 50.6 m -52.57 -40.99 63.18 Favored 'General case' 0 C--N 1.319 -0.76 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.906 -178.271 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -63.17 -46.92 92.1 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.441 -0.664 . . . . 0.0 111.441 179.089 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.429 ' CD2' ' HG2' ' B' ' 5' ' ' GLU . 17.4 m-85 -70.15 -43.23 71.31 Favored 'General case' 0 CA--C 1.5 -0.968 0 CA-C-O 121.391 0.615 . . . . 0.0 109.918 176.667 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 49' ' ' LYS . 49.0 tp -61.15 -47.01 88.2 Favored 'General case' 0 N--CA 1.435 -1.186 0 CA-C-N 115.125 -0.943 . . . . 0.0 111.182 -179.491 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -64.11 -39.16 93.45 Favored 'General case' 0 C--N 1.318 -0.765 0 C-N-CA 120.266 -0.574 . . . . 0.0 110.337 178.207 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.59 ' HB3' ' HG3' ' A' ' 85' ' ' MET . . . -60.86 -35.04 75.58 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.654 -179.134 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.451 HE21 ' C ' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -131.3 41.63 3.3 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.985 -0.286 . . . . 0.0 111.598 179.149 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -65.5 -38.93 91.16 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.854 0.359 . . . . 0.0 110.593 179.772 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.437 ' OD1' ' NZ ' ' A' ' 49' ' ' LYS . 1.0 OUTLIER -98.02 5.34 48.86 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-N 115.832 -0.622 . . . . 0.0 112.419 -176.056 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.625 ' O ' HG12 ' A' ' 54' ' ' VAL . 16.3 t -83.4 120.59 34.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 176.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.515 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 23.6 t70 -48.54 -33.69 10.06 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-O 121.109 0.481 . . . . 0.0 111.18 -176.277 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.494 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -49.64 -33.21 14.83 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.627 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.625 HG12 ' O ' ' A' ' 51' ' ' VAL . 10.0 p -60.88 -46.59 96.08 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 C-N-CA 120.601 -0.44 . . . . 0.0 110.583 -178.476 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -62.27 -40.55 96.59 Favored 'General case' 0 CA--C 1.5 -0.958 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 177.004 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.515 ' NZ ' ' OD2' ' A' ' 52' ' ' ASP . 41.5 mmtm -64.98 -41.23 95.62 Favored 'General case' 0 N--CA 1.439 -1.006 0 CA-C-N 115.226 -0.897 . . . . 0.0 109.826 -178.641 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.572 HG11 ' HG ' ' A' ' 81' ' ' LEU . 54.3 t -60.69 -44.48 97.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 173.795 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.553 ' HG2' ' O ' ' A' ' 54' ' ' VAL . 59.0 mmm -60.21 -41.69 93.54 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.636 0.731 . . . . 0.0 109.661 176.664 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.447 ' NZ ' ' OE2' ' A' ' 63' ' ' GLU . 14.4 tptp -63.73 -47.06 82.61 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 114.671 -1.15 . . . . 0.0 111.265 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -57.53 -45.24 85.29 Favored 'General case' 0 C--O 1.244 0.785 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 179.314 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.788 ' HG ' HD13 ' A' ' 77' ' ' LEU . 3.3 mm? -66.43 -41.08 89.7 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.799 174.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.456 ' OD1' ' NZ ' ' A' ' 30' ' ' LYS . 28.2 t70 -60.84 -37.08 80.82 Favored 'General case' 0 CA--C 1.508 -0.671 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.718 -174.041 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.447 ' OE2' ' NZ ' ' A' ' 59' ' ' LYS . 98.7 mt-10 -62.98 -47.77 81.71 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 179.812 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -64.89 -45.95 83.82 Favored 'General case' 0 CA--C 1.505 -0.781 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.792 172.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.484 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . . . -75.67 53.6 2.86 Favored Glycine 0 CA--C 1.493 -1.327 0 N-CA-C 110.304 -1.119 . . . . 0.0 110.304 -178.455 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -60.5 -39.23 86.98 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 108.466 -0.938 . . . . 0.0 108.466 177.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -126.72 -68.95 0.17 Allowed Glycine 0 C--N 1.318 -0.447 0 N-CA-C 110.202 -1.159 . . . . 0.0 110.202 175.077 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -110.03 162.06 14.91 Favored 'General case' 0 C--N 1.313 -0.995 0 C-N-CA 122.824 0.45 . . . . 0.0 110.004 177.41 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.5 HG13 ' HB3' ' A' ' 28' ' ' LEU . 2.1 p -120.53 130.64 74.25 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.361 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 175.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.613 ' CG ' ' N ' ' A' ' 71' ' ' PHE . 0.1 OUTLIER -92.59 175.11 6.94 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.186 0.517 . . . . 0.0 112.259 -173.55 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.684 ' O ' HG22 ' A' ' 75' ' ' VAL . 59.9 t80 -60.27 -45.3 93.8 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.955 -178.175 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -60.52 -38.64 85.03 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 179.05 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.628 ' O ' HD11 ' A' ' 61' ' ' LEU . 98.1 mt-10 -70.21 -44.89 67.71 Favored 'General case' 0 C--N 1.31 -1.136 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.248 176.032 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 45.1 t80 -60.82 -48.15 83.13 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.887 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 1.004 HG21 ' CB ' ' B' ' 79' ' ' ALA . 17.4 m -61.12 -43.48 96.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 C-N-CA 120.253 -0.579 . . . . 0.0 111.558 -178.112 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.574 ' O ' ' N ' ' A' ' 80' ' ' ALA . 12.7 p -66.57 -34.5 70.49 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.746 0 C-N-CA 120.035 -0.666 . . . . 0.0 110.049 178.19 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.788 HD13 ' HG ' ' A' ' 61' ' ' LEU . 48.9 tp -61.37 -48.7 80.06 Favored 'General case' 0 CA--C 1.512 -0.498 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.442 178.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.494 HG12 HD23 ' A' ' 37' ' ' LEU . 18.6 m -68.59 -42.58 83.53 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.831 0 C-N-CA 119.874 -0.73 . . . . 0.0 110.316 176.4 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.875 ' CB ' HG21 ' B' ' 75' ' ' VAL . . . -61.71 -40.99 97.0 Favored 'General case' 0 CA--C 1.506 -0.727 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.552 177.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.574 ' N ' ' O ' ' A' ' 76' ' ' VAL . . . -57.58 -50.69 72.29 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.584 -178.665 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.572 ' HG ' HG11 ' A' ' 57' ' ' VAL . 93.5 mt -63.19 -40.72 98.32 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.587 174.489 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.416 ' O ' ' HB2' ' A' ' 86' ' ' ASN . 21.1 m -59.42 -50.52 73.63 Favored 'General case' 0 N--CA 1.445 -0.704 0 C-N-CA 120.311 -0.555 . . . . 0.0 110.114 179.337 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.435 HG11 ' HG3' ' B' ' 72' ' ' GLN . 14.0 p -65.44 -43.11 94.65 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 C-N-CA 119.786 -0.766 . . . . 0.0 110.338 176.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.41 -52.53 64.99 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.471 179.049 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.59 ' HG3' ' HB3' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -68.71 -43.64 75.56 Favored 'General case' 0 CA--C 1.516 -0.337 0 C-N-CA 120.485 -0.486 . . . . 0.0 110.511 177.264 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.617 ' ND2' HG13 ' B' ' 12' ' ' ILE . 80.8 m-20 -61.89 -34.4 75.97 Favored 'General case' 0 CA--C 1.489 -1.375 0 C-N-CA 120.306 -0.558 . . . . 0.0 111.35 -179.179 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.562 ' HA ' ' CD1' ' A' ' 90' ' ' TRP . 0.3 OUTLIER -45.22 -38.3 5.3 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 177.906 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.428 ' HB3' ' O ' ' A' ' 85' ' ' MET . 90.2 t80 -61.67 -45.39 94.22 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.731 173.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.577 ' N ' ' O ' ' A' ' 86' ' ' ASN . 10.8 m-85 -61.24 -46.54 89.97 Favored 'General case' 0 C--O 1.219 -0.537 0 N-CA-C 113.656 0.984 . . . . 0.0 113.656 -178.3 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.587 ' CD1' ' O ' ' A' ' 86' ' ' ASN . 2.6 m95 . . . . . 0 N--CA 1.474 0.773 0 C-N-CA 118.638 -1.225 . . . . 0.0 107.96 -176.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . 0.508 ' N ' ' O ' ' A' ' 40' ' ' GLU . 70.6 m . . . . . 0 N--CA 1.447 -0.579 0 CA-C-O 120.924 0.392 . . . . 0.0 111.018 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . 0.516 ' H ' ' CD ' ' B' ' 3' ' ' GLU . 50.0 mp0 -55.15 -17.83 4.8 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 175.648 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.78 HD11 HG21 ' A' ' 14' ' ' VAL . 47.2 mt -60.93 -39.91 91.2 Favored 'General case' 0 N--CA 1.438 -1.06 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.195 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . 0.429 ' HG2' ' CD2' ' A' ' 44' ' ' PHE . 95.8 mt-10 -61.33 -41.78 97.6 Favored 'General case' 0 N--CA 1.445 -0.696 0 C-N-CA 119.289 -0.964 . . . . 0.0 108.852 175.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 7.6 m -61.99 -45.92 91.5 Favored 'General case' 0 C--O 1.239 0.504 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 174.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.61 -47.6 83.82 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.87 177.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . 0.608 ' SD ' HD11 ' A' ' 11' ' ' LEU . 97.0 mmm -64.27 -41.55 96.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.553 176.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . 0.429 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 4.4 mm-40 -60.51 -37.28 80.63 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 174.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 10.6 m -60.45 -44.25 96.04 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 176.384 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.696 HD23 ' CD1' ' A' ' 4' ' ' LEU . 81.2 mt -62.34 -42.38 99.34 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.755 174.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.617 HG13 ' ND2' ' A' ' 86' ' ' ASN . 11.9 mm -62.98 -44.51 99.7 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.611 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 179.693 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . 0.429 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 44.4 m-80 -60.63 -45.46 93.97 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.43 -177.63 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.642 HG21 HD21 ' A' ' 4' ' ' LEU . 38.2 t -64.04 -49.02 83.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.832 176.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.616 ' CE1' ' HB2' ' B' ' 28' ' ' LEU . 65.2 t80 -60.24 -47.48 85.81 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-O 121.611 0.72 . . . . 0.0 109.323 177.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.47 ' CG ' ' CZ3' ' A' ' 90' ' ' TRP . 0.7 OUTLIER -58.68 -43.95 90.11 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 114.744 -1.116 . . . . 0.0 110.561 -178.771 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.473 ' O ' ' HG2' ' B' ' 21' ' ' LYS . . . -54.57 -50.18 68.58 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.703 -179.209 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.506 ' ND1' ' HB3' ' B' ' 32' ' ' GLU . 96.5 m-70 -66.54 -39.09 88.41 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.08 178.572 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 19.9 m -58.39 -41.6 85.2 Favored 'General case' 0 CA--C 1.513 -0.445 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 174.071 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.4 -34.31 87.82 Favored Glycine 0 N--CA 1.446 -0.672 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 177.037 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . 0.473 ' HG2' ' O ' ' B' ' 17' ' ' ALA . 25.5 mmtp -65.26 -49.54 69.2 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 120.142 -0.623 . . . . 0.0 110.456 -178.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' B' ' 24' ' ' ASP . 76.7 mt-10 -156.2 -29.19 0.1 Allowed 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.84 -179.173 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . 0.458 ' HA3' ' O ' ' B' ' 27' ' ' LYS . . . -60.81 70.2 0.01 OUTLIER Glycine 0 CA--C 1.527 0.843 0 CA-C-N 116.338 -0.392 . . . . 0.0 112.727 -171.446 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . 0.574 ' CG ' ' H ' ' B' ' 25' ' ' LYS . 23.3 t70 36.28 -154.7 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.927 0.891 . . . . 0.0 111.785 178.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.574 ' H ' ' CG ' ' B' ' 24' ' ' ASP . 0.0 OUTLIER -64.25 -47.02 81.2 Favored 'General case' 0 CA--C 1.493 -1.214 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 -178.788 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.408 ' O ' ' HG2' ' B' ' 27' ' ' LYS . 0.0 OUTLIER -151.77 93.09 1.81 Allowed 'General case' 0 N--CA 1.43 -1.462 0 CA-C-N 114.979 -1.009 . . . . 0.0 110.526 172.733 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.458 ' O ' ' HA3' ' B' ' 23' ' ' GLY . 22.9 mmmt -158.36 169.61 24.08 Favored 'General case' 0 C--N 1.317 -0.848 0 C-N-CA 124.558 1.143 . . . . 0.0 108.169 174.261 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.616 ' HB2' ' CE1' ' B' ' 15' ' ' PHE . 45.9 tp -124.97 123.44 39.89 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 110.466 -0.198 . . . . 0.0 110.466 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 12.8 p -79.61 160.17 26.49 Favored 'General case' 0 C--O 1.241 0.651 0 CA-C-O 120.718 0.294 . . . . 0.0 111.43 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.517 ' NZ ' ' O ' ' B' ' 62' ' ' ASP . 0.2 OUTLIER -74.13 -8.61 56.77 Favored 'General case' 0 CA--C 1.511 -0.553 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 176.717 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -65.5 -42.63 91.93 Favored 'General case' 0 CA--C 1.496 -1.099 0 N-CA-C 106.85 -1.537 . . . . 0.0 106.85 177.104 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.515 ' O ' ' HB3' ' B' ' 36' ' ' LEU . 61.1 mm-40 -100.39 -41.91 6.83 Favored 'General case' 0 N--CA 1.423 -1.814 0 CA-C-N 112.226 -2.261 . . . . 0.0 110.146 -171.235 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.619 HD21 HD23 ' B' ' 77' ' ' LEU . 2.6 tm? -57.66 -45.78 85.1 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.176 -172.334 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.481 ' NZ ' ' OD1' ' B' ' 62' ' ' ASP . 67.8 mttm -63.76 -43.88 95.12 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 120.15 -0.62 . . . . 0.0 110.448 178.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -69.21 -49.35 57.26 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.489 -179.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.535 ' O ' HD12 ' B' ' 36' ' ' LEU . 0.1 OUTLIER -62.56 -46.49 88.12 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.823 -0.626 . . . . 0.0 112.447 -179.394 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.585 HD13 ' C ' ' B' ' 37' ' ' LEU . 3.0 tm? -61.92 -47.55 84.44 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 119.766 -0.773 . . . . 0.0 111.291 -174.42 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -65.91 -41.34 91.57 Favored 'General case' 0 C--N 1.318 -0.784 0 C-N-CA 120.189 -0.605 . . . . 0.0 110.236 177.36 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 96.6 m -63.32 -50.92 68.12 Favored 'General case' 0 N--CA 1.441 -0.896 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.576 -179.469 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.412 ' CG ' HD12 ' B' ' 36' ' ' LEU . 79.1 mm-40 -73.11 -41.05 64.45 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -177.588 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.434 HD21 ' HB ' ' B' ' 78' ' ' VAL . 9.8 mp -105.39 33.98 3.45 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.32 -176.117 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 18.3 m -51.94 -40.89 61.53 Favored 'General case' 0 C--N 1.314 -0.951 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.719 -177.442 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . 0.405 ' N ' ' OE2' ' A' ' 5' ' ' GLU . . . -66.66 -48.32 62.88 Favored Glycine 0 C--N 1.32 -0.313 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 178.219 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.6 ' CD1' ' SD ' ' B' ' 85' ' ' MET . 41.8 m-85 -65.57 -41.48 92.87 Favored 'General case' 0 CA--C 1.508 -0.667 0 CA-C-O 121.02 0.438 . . . . 0.0 110.525 177.449 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.54 ' O ' ' HB2' ' B' ' 49' ' ' LYS . 8.0 tp -60.37 -50.67 72.68 Favored 'General case' 0 C--N 1.309 -1.165 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.719 176.185 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -66.79 -42.32 86.19 Favored 'General case' 0 C--N 1.313 -1.018 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 176.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . 0.508 ' CB ' ' SD ' ' B' ' 85' ' ' MET . . . -56.39 -47.97 77.85 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.51 -176.371 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -116.5 28.47 8.55 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 179.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.54 ' HB2' ' O ' ' B' ' 45' ' ' LEU . 58.2 tttm -60.06 -45.87 91.45 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.291 0.567 . . . . 0.0 109.725 179.42 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -68.02 -18.19 64.63 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.652 -178.418 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . 0.567 ' O ' ' N ' ' B' ' 53' ' ' ALA . 47.8 t -65.74 -0.6 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.927 0 CA-C-N 116.284 -0.417 . . . . 0.0 112.108 -174.276 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.9 t70 63.24 -46.01 0.22 Allowed 'General case' 0 N--CA 1.475 0.788 0 CA-C-O 120.764 0.316 . . . . 0.0 111.202 179.12 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.567 ' N ' ' O ' ' B' ' 51' ' ' VAL . . . -51.64 -26.1 8.34 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.977 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.548 HG23 HD22 ' B' ' 81' ' ' LEU . 8.8 p -58.04 -44.63 87.5 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.711 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 177.536 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.468 ' OD2' ' NZ ' ' B' ' 59' ' ' LYS . 35.0 t70 -62.91 -44.81 95.09 Favored 'General case' 0 CA--C 1.496 -1.113 0 CA-C-O 121.483 0.658 . . . . 0.0 109.593 173.532 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 12.9 mmtp -63.2 -44.24 95.93 Favored 'General case' 0 C--N 1.308 -1.225 0 CA-C-N 114.857 -1.065 . . . . 0.0 109.973 -172.162 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.759 HG12 HD12 ' B' ' 77' ' ' LEU . 85.2 t -64.73 -46.44 92.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-O 121.378 0.609 . . . . 0.0 109.362 176.495 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . 0.555 ' HG3' ' N ' ' B' ' 59' ' ' LYS . 0.0 OUTLIER -63.11 -34.64 78.04 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.397 178.902 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . 0.555 ' N ' ' HG3' ' B' ' 58' ' ' MET . 0.2 OUTLIER -58.78 -43.64 90.49 Favored 'General case' 0 CA--C 1.5 -0.977 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.931 -176.038 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -60.26 -44.46 95.27 Favored 'General case' 0 C--N 1.31 -1.114 0 C-N-CA 120.182 -0.607 . . . . 0.0 109.518 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.774 ' HG ' HD22 ' B' ' 77' ' ' LEU . 3.4 mm? -62.95 -42.81 99.93 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.158 174.568 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.517 ' O ' ' NZ ' ' B' ' 30' ' ' LYS . 13.8 t70 -59.92 -47.19 86.79 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 115.657 -0.702 . . . . 0.0 109.709 -179.401 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -66.6 -51.34 57.46 Favored 'General case' 0 CA--C 1.512 -0.487 0 CA-C-O 121.136 0.493 . . . . 0.0 110.618 178.09 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . 0.495 ' O ' ' N ' ' B' ' 66' ' ' ASP . 35.9 m-80 -63.66 -41.87 98.16 Favored 'General case' 0 CA--C 1.5 -0.948 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.265 -176.306 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . 0.458 ' HA3' ' CE ' ' B' ' 30' ' ' LYS . . . -68.37 54.61 0.45 Allowed Glycine 0 N--CA 1.444 -0.786 0 N-CA-C 110.701 -0.96 . . . . 0.0 110.701 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.495 ' N ' ' O ' ' B' ' 64' ' ' ASN . 34.4 t70 -60.93 -37.47 82.41 Favored 'General case' 0 CA--C 1.505 -0.77 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 177.38 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -116.16 -68.12 0.41 Allowed Glycine 0 C--N 1.312 -0.76 0 N-CA-C 109.053 -1.619 . . . . 0.0 109.053 172.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.448 ' CB ' ' HB3' ' B' ' 27' ' ' LYS . 13.1 mp0 -138.27 165.72 25.99 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.085 0.469 . . . . 0.0 110.882 176.079 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.547 HG21 HD12 ' B' ' 61' ' ' LEU . 1.3 m -111.57 139.14 37.22 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.082 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 173.215 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.455 ' HB3' ' NZ ' ' B' ' 27' ' ' LYS . 0.0 OUTLIER -91.81 177.23 6.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 121.946 -0.471 . . . . 0.0 110.965 -173.213 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.636 ' O ' HG22 ' B' ' 75' ' ' VAL . 58.5 t80 -60.76 -45.05 95.83 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 -178.414 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.435 ' HG3' HG11 ' A' ' 83' ' ' VAL . 25.4 mt-30 -60.88 -38.75 86.73 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.424 175.346 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.442 ' OE1' ' N ' ' B' ' 70' ' ' ASP . 48.0 mt-10 -66.6 -45.06 80.43 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 175.032 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -62.63 -48.51 79.06 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 115.644 -0.707 . . . . 0.0 112.852 -179.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.875 HG21 ' CB ' ' A' ' 79' ' ' ALA . 18.0 m -63.02 -42.31 96.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 C-N-CA 120.208 -0.597 . . . . 0.0 112.489 -175.484 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 11.0 p -63.77 -37.48 79.81 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 C-N-CA 120.124 -0.631 . . . . 0.0 110.228 178.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.774 HD22 ' HG ' ' B' ' 61' ' ' LEU . 47.2 tp -60.73 -49.21 78.42 Favored 'General case' 0 CA--C 1.511 -0.543 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.887 179.57 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.556 HG12 HD23 ' B' ' 37' ' ' LEU . 17.2 m -67.58 -43.2 87.17 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 C-N-CA 119.485 -0.886 . . . . 0.0 110.504 177.343 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 1.004 ' CB ' HG21 ' A' ' 75' ' ' VAL . . . -63.61 -43.85 95.66 Favored 'General case' 0 CA--C 1.509 -0.612 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.902 -179.606 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . 0.651 ' HB3' HG11 ' B' ' 57' ' ' VAL . . . -61.98 -42.49 99.19 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 120.267 -0.573 . . . . 0.0 109.71 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.548 HD22 HG23 ' B' ' 54' ' ' VAL . 96.0 mt -63.73 -40.96 98.02 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 174.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.467 ' HA ' ' CD1' ' B' ' 44' ' ' PHE . 21.1 m -61.32 -49.14 78.2 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.605 176.501 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.531 HG12 ' O ' ' B' ' 80' ' ' ALA . 0.3 OUTLIER -63.29 -40.52 89.37 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 179.768 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.73 -51.73 66.33 Favored 'General case' 0 CA--C 1.519 -0.249 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 177.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 85' ' ' MET . . . . . 0.6 ' SD ' ' CD1' ' B' ' 44' ' ' PHE . 26.9 ttt -66.31 -42.28 88.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.256 0.551 . . . . 0.0 110.322 175.725 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.525 ' O ' ' N ' ' B' ' 89' ' ' PHE . 17.1 t30 -59.41 -26.33 65.06 Favored 'General case' 0 CA--C 1.501 -0.938 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.847 -174.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 35.8 t-20 -47.71 -38.59 15.55 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 177.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -59.45 -46.36 88.99 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.872 172.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . 0.525 ' N ' ' O ' ' B' ' 86' ' ' ASN . 10.2 m-85 . . . . . 0 C--N 1.319 -0.723 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 -172.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 m . . . . . 0 C--O 1.239 0.518 0 CA-C-O 120.553 0.216 . . . . 0.0 110.724 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 7' ' ' ALA . 55.9 mp0 -60.65 -41.14 94.38 Favored 'General case' 0 CA--C 1.496 -1.097 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 175.777 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.773 ' CD1' HD23 ' B' ' 11' ' ' LEU . 2.7 mm? -61.75 -42.86 99.53 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-N 114.951 -1.022 . . . . 0.0 108.556 -179.087 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -65.52 -44.31 87.33 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-N 115.072 -0.967 . . . . 0.0 109.242 175.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.473 ' O ' ' N ' ' A' ' 10' ' ' THR . 10.8 m -60.98 -45.83 93.21 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.471 177.158 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.595 ' HB1' ' HB1' ' B' ' 7' ' ' ALA . . . -56.74 -48.86 76.85 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.504 179.08 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.487 ' HG2' ' O ' ' A' ' 4' ' ' LEU . 93.2 mmm -64.51 -41.45 96.41 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 -179.62 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 55.8 mm-40 -62.93 -36.67 84.17 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.802 174.596 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.473 ' N ' ' O ' ' A' ' 6' ' ' THR . 7.4 m -59.97 -45.02 94.04 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 176.728 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.68 HD23 HD22 ' B' ' 4' ' ' LEU . 85.2 mt -62.69 -39.81 95.13 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.149 177.228 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.46 HD13 ' CD1' ' A' ' 71' ' ' PHE . 19.5 mm -61.44 -43.84 97.47 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.777 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 -178.798 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 30.3 m-80 -59.83 -44.23 94.17 Favored 'General case' 0 C--N 1.313 -0.993 0 C-N-CA 120.206 -0.598 . . . . 0.0 110.365 -176.161 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 1.064 HG21 HD11 ' B' ' 4' ' ' LEU . 99.2 t -64.38 -48.65 84.37 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 C-N-CA 120.289 -0.564 . . . . 0.0 110.325 175.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.424 ' CE1' ' HB2' ' A' ' 28' ' ' LEU . 68.3 t80 -59.79 -48.26 82.39 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.663 0.744 . . . . 0.0 109.611 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.612 ' ND1' ' O ' ' A' ' 25' ' ' LYS . 5.2 t60 -61.55 -45.53 93.78 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 114.534 -1.212 . . . . 0.0 110.145 178.266 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.93 -49.51 76.52 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.511 178.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 66.4 m-70 -65.54 -37.8 87.78 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.071 177.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.499 ' HB3' ' H ' ' A' ' 27' ' ' LYS . 25.3 m -54.09 -44.02 70.86 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 178.457 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.46 -34.98 91.05 Favored Glycine 0 N--CA 1.444 -0.799 0 N-CA-C 110.671 -0.972 . . . . 0.0 110.671 177.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -63.09 -47.03 84.62 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 179.316 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.551 ' CD ' ' H ' ' A' ' 29' ' ' SER . 99.3 mt-10 -70.66 -40.75 72.81 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.481 -0.488 . . . . 0.0 110.551 177.341 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 146.33 -27.45 1.68 Allowed Glycine 0 CA--C 1.529 0.95 0 C-N-CA 121.145 -0.55 . . . . 0.0 112.69 176.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -75.75 152.41 37.41 Favored 'General case' 0 C--N 1.32 -0.716 0 O-C-N 122.196 -0.591 . . . . 0.0 110.879 -177.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.612 ' O ' ' ND1' ' A' ' 16' ' ' HIS . 0.0 OUTLIER -66.05 -45.14 82.45 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 171.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.409 ' O ' ' HG2' ' A' ' 27' ' ' LYS . 14.1 p90 -150.01 92.5 1.9 Allowed 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.463 172.146 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.499 ' H ' ' HB3' ' A' ' 19' ' ' SER . 3.4 mmmm -161.52 154.06 20.23 Favored 'General case' 0 CA--C 1.498 -1.026 0 N-CA-C 106.332 -1.729 . . . . 0.0 106.332 167.662 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.695 HD11 ' HB2' ' A' ' 32' ' ' GLU . 31.6 tp -131.27 141.21 49.95 Favored 'General case' 0 C--N 1.3 -1.583 0 C-N-CA 120.013 -0.675 . . . . 0.0 110.031 179.48 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.551 ' H ' ' CD ' ' A' ' 22' ' ' GLU . 3.1 m -104.26 158.44 16.45 Favored 'General case' 0 C--N 1.308 -1.214 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 176.359 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.524 ' CE ' ' HB ' ' A' ' 69' ' ' VAL . 2.4 mmtm -67.73 -7.09 24.41 Favored 'General case' 0 C--N 1.314 -0.969 0 C-N-CA 119.598 -0.841 . . . . 0.0 112.343 -172.313 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.466 ' HD2' ' HG2' ' A' ' 22' ' ' GLU . 1.6 ptpm? -66.58 -51.99 50.42 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.768 0.318 . . . . 0.0 110.557 176.418 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.695 ' HB2' HD11 ' A' ' 28' ' ' LEU . 71.5 mm-40 -70.44 -35.86 73.61 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.435 176.464 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.875 HD11 ' CD2' ' A' ' 77' ' ' LEU . 3.4 tm? -58.2 -44.17 87.95 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.23 -170.232 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -62.71 -45.51 92.43 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 119.656 -0.818 . . . . 0.0 110.152 178.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.44 ' O ' ' OG1' ' A' ' 39' ' ' THR . 98.7 mt-10 -67.28 -42.9 83.04 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.664 0.745 . . . . 0.0 109.622 178.678 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 32' ' ' GLU . 31.1 tp -61.0 -48.48 81.61 Favored 'General case' 0 C--N 1.305 -1.342 0 CA-C-N 114.631 -1.168 . . . . 0.0 112.005 -179.663 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.651 HD12 HD21 ' A' ' 77' ' ' LEU . 0.1 OUTLIER -62.43 -49.81 73.98 Favored 'General case' 0 C--N 1.318 -0.765 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.824 -176.174 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.436 ' HA ' HD22 ' A' ' 45' ' ' LEU . 16.0 pt20 -64.4 -41.89 96.39 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.199 0.523 . . . . 0.0 110.724 179.231 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.44 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 79.5 m -62.67 -52.06 64.8 Favored 'General case' 0 N--CA 1.439 -1.001 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.703 -177.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -76.46 -39.1 54.26 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 120.04 -0.664 . . . . 0.0 112.718 -176.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.8 mp -99.95 40.49 1.23 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.435 0.16 . . . . 0.0 110.958 -179.486 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 51.3 m -59.42 -40.93 88.3 Favored 'General case' 0 C--N 1.315 -0.919 0 C-N-CA 119.196 -1.001 . . . . 0.0 111.015 -178.04 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.06 -43.6 95.5 Favored Glycine 0 CA--C 1.527 0.825 0 N-CA-C 111.312 -0.715 . . . . 0.0 111.312 177.435 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -68.87 -43.24 75.77 Favored 'General case' 0 CA--C 1.509 -0.627 0 CA-C-O 121.059 0.457 . . . . 0.0 110.407 176.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.436 HD22 ' HA ' ' A' ' 38' ' ' GLN . 46.7 tp -60.95 -42.99 99.32 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.207 175.55 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.539 ' OD1' ' NZ ' ' A' ' 49' ' ' LYS . 30.3 t70 -61.55 -38.04 86.0 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.924 176.651 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.22 -43.31 70.92 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.685 179.235 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.541 ' O ' HG11 ' A' ' 54' ' ' VAL . 0.0 OUTLIER -115.31 58.23 0.72 Allowed 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 120.658 0.266 . . . . 0.0 111.281 -179.248 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.539 ' NZ ' ' OD1' ' A' ' 46' ' ' ASP . 50.4 mttp -65.23 -44.27 88.8 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 121.046 0.451 . . . . 0.0 109.907 178.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -113.88 2.36 15.06 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.196 -0.911 . . . . 0.0 113.277 -172.376 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.804 ' O ' HG12 ' A' ' 54' ' ' VAL . 62.9 t -59.8 137.37 22.31 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.895 0 C-N-CA 120.323 -0.551 . . . . 0.0 110.102 -178.559 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -55.62 -44.45 77.08 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.215 0.531 . . . . 0.0 110.108 -177.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.59 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -58.83 -39.51 81.45 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.539 -0.755 . . . . 0.0 112.243 -176.167 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.804 HG12 ' O ' ' A' ' 51' ' ' VAL . 7.6 p -59.07 -45.11 92.65 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 C-N-CA 119.018 -1.073 . . . . 0.0 111.511 -175.214 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.487 ' O ' ' N ' ' A' ' 59' ' ' LYS . 28.6 t70 -61.52 -42.83 99.4 Favored 'General case' 0 CA--C 1.496 -1.118 0 C-N-CA 119.781 -0.768 . . . . 0.0 109.727 177.737 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.1 mmtp -63.03 -43.42 98.76 Favored 'General case' 0 C--N 1.318 -0.79 0 C-N-CA 120.347 -0.541 . . . . 0.0 109.86 -178.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.722 HG12 HD12 ' A' ' 77' ' ' LEU . 80.1 t -64.48 -43.98 96.94 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.917 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 178.798 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 19.7 mmm -61.09 -40.6 94.34 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 176.224 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.532 ' O ' ' HG2' ' A' ' 63' ' ' GLU . 22.7 tptp -65.96 -46.49 77.92 Favored 'General case' 0 N--CA 1.434 -1.266 0 CA-C-N 114.861 -1.063 . . . . 0.0 110.224 -176.374 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -58.98 -40.71 85.63 Favored 'General case' 0 CA--C 1.516 -0.351 0 C-N-CA 119.924 -0.71 . . . . 0.0 111.013 179.112 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.74 ' HG ' HD13 ' A' ' 77' ' ' LEU . 1.7 mm? -62.13 -41.4 98.22 Favored 'General case' 0 C--N 1.313 -0.993 0 C-N-CA 119.854 -0.738 . . . . 0.0 109.29 174.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -65.26 -41.55 94.17 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.346 176.058 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.532 ' HG2' ' O ' ' A' ' 59' ' ' LYS . 64.3 mm-40 -61.04 -41.26 96.24 Favored 'General case' 0 CA--C 1.513 -0.442 0 N-CA-C 107.385 -1.339 . . . . 0.0 107.385 176.323 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.434 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . 12.0 t-20 -86.62 30.94 0.69 Allowed 'General case' 0 N--CA 1.443 -0.79 0 CA-C-N 114.946 -1.025 . . . . 0.0 110.366 174.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.418 ' HA2' ' HG3' ' A' ' 30' ' ' LYS . . . -94.03 20.39 47.8 Favored Glycine 0 N--CA 1.461 0.308 0 N-CA-C 109.024 -1.63 . . . . 0.0 109.024 176.77 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -60.46 -44.65 95.67 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.062 -0.569 . . . . 0.0 110.465 -175.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -125.52 -76.99 0.27 Allowed Glycine 0 C--O 1.241 0.534 0 N-CA-C 111.521 -0.632 . . . . 0.0 111.521 -178.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.475 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 2.1 mp0 -139.15 -163.45 1.48 Allowed 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 -179.031 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.686 HG23 ' HB2' ' A' ' 73' ' ' GLU . 1.8 p -133.7 129.8 55.58 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.232 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 170.111 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.0 -176.74 3.33 Favored 'General case' 0 C--N 1.31 -1.115 0 C-N-CA 119.988 -0.685 . . . . 0.0 111.003 -178.509 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.528 ' O ' HG13 ' A' ' 75' ' ' VAL . 53.1 t80 -60.54 -43.35 97.27 Favored 'General case' 0 C--N 1.302 -1.457 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.714 179.761 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -60.86 -43.55 98.23 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.026 179.268 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.686 ' HB2' HG23 ' A' ' 69' ' ' VAL . 82.4 mt-10 -65.38 -40.72 93.86 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 119.87 -0.732 . . . . 0.0 109.727 174.691 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.457 ' OH ' HD13 ' B' ' 4' ' ' LEU . 32.7 t80 -60.76 -48.63 80.91 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.008 -178.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.768 HG21 ' CB ' ' B' ' 79' ' ' ALA . 5.4 m -65.32 -42.89 94.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 C-N-CA 119.5 -0.88 . . . . 0.0 111.625 178.375 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.443 HG12 ' O ' ' A' ' 73' ' ' GLU . 0.8 OUTLIER -64.07 -39.49 85.65 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 C-N-CA 120.335 -0.546 . . . . 0.0 110.096 -177.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.875 ' CD2' HD11 ' A' ' 33' ' ' LEU . 49.8 tp -61.2 -49.55 76.72 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.953 178.686 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 17.1 m -70.89 -42.91 77.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 C-N-CA 119.835 -0.746 . . . . 0.0 110.878 177.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.878 ' CB ' HG21 ' B' ' 75' ' ' VAL . . . -61.08 -46.12 91.96 Favored 'General case' 0 CA--C 1.503 -0.85 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.086 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -54.75 -48.7 72.27 Favored 'General case' 0 CA--C 1.511 -0.545 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.484 HD11 HD11 ' A' ' 37' ' ' LEU . 95.7 mt -63.25 -41.31 99.05 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.896 175.747 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 16.3 m -61.72 -50.48 72.27 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.56 -0.456 . . . . 0.0 110.495 -179.441 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.474 HG11 ' HG3' ' B' ' 72' ' ' GLN . 10.7 p -63.7 -43.64 98.13 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 C-N-CA 120.174 -0.61 . . . . 0.0 110.263 177.714 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.88 -49.09 79.07 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.283 176.352 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 9.5 tpt -67.89 -46.15 72.44 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.535 -0.466 . . . . 0.0 111.125 178.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.478 ' ND2' HG21 ' B' ' 12' ' ' ILE . 4.2 m120 -61.36 -27.72 68.71 Favored 'General case' 0 CA--C 1.503 -0.86 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.376 -179.514 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.403 ' OD1' ' CE2' ' B' ' 26' ' ' TYR . 37.8 t30 -57.94 -40.06 79.56 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 177.206 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -63.19 -39.49 94.8 Favored 'General case' 0 C--O 1.22 -0.454 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.663 174.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.452 ' CD2' ' HA ' ' A' ' 86' ' ' ASN . 14.0 m-30 -55.49 -51.18 67.84 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.871 -175.721 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 44.5 m95 . . . . . 0 C--N 1.31 -1.141 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.337 -176.97 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . 0.432 ' O ' ' N ' ' B' ' 5' ' ' GLU . 4.0 m . . . . . 0 N--CA 1.445 -0.718 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . 0.438 ' OE1' ' N ' ' B' ' 3' ' ' GLU . 3.2 mp0 -53.15 -28.0 23.95 Favored 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 179.515 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 1.064 HD11 HG21 ' A' ' 14' ' ' VAL . 41.2 mt -62.25 -41.68 98.65 Favored 'General case' 0 N--CA 1.439 -0.976 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.387 176.441 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' B' ' 2' ' ' SER . 47.3 mt-10 -62.76 -42.99 99.94 Favored 'General case' 0 N--CA 1.443 -0.808 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 177.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . 0.409 ' O ' ' N ' ' B' ' 10' ' ' THR . 7.0 m -61.92 -45.08 95.27 Favored 'General case' 0 C--O 1.242 0.685 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 172.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.595 ' HB1' ' HB1' ' A' ' 7' ' ' ALA . . . -58.0 -45.76 86.31 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.923 179.454 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . 0.512 ' SD ' HD12 ' B' ' 11' ' ' LEU . 94.8 mmm -64.13 -40.98 97.34 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.943 -0.392 . . . . 0.0 109.943 178.348 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.82 -37.87 89.07 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 119.745 -0.782 . . . . 0.0 109.624 174.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.409 ' N ' ' O ' ' B' ' 6' ' ' THR . 10.1 m -59.39 -43.38 92.94 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 175.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.773 HD23 ' CD1' ' A' ' 4' ' ' LEU . 84.2 mt -62.11 -41.74 98.53 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.92 174.766 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.478 HG21 ' ND2' ' A' ' 86' ' ' ASN . 23.4 mm -62.15 -43.79 98.27 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.633 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 179.19 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 40.0 m-80 -60.16 -44.05 95.32 Favored 'General case' 0 CA--C 1.505 -0.758 0 C-N-CA 120.435 -0.506 . . . . 0.0 111.387 -173.529 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.543 HG21 HD21 ' A' ' 4' ' ' LEU . 93.1 t -63.76 -48.84 84.65 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.914 0 C-N-CA 119.975 -0.69 . . . . 0.0 109.688 175.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.516 ' CE1' ' HB2' ' B' ' 28' ' ' LEU . 70.1 t80 -59.89 -49.55 77.27 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.236 179.465 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.481 ' ND1' ' O ' ' B' ' 25' ' ' LYS . 23.5 t60 -67.08 -42.76 84.11 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.97 178.284 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.491 ' O ' ' HG2' ' B' ' 21' ' ' LYS . . . -60.17 -49.43 77.67 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 176.612 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 78.8 m-70 -64.88 -35.15 80.2 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.862 176.306 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 21.9 m -56.51 -44.48 80.76 Favored 'General case' 0 C--O 1.243 0.721 0 N-CA-C 107.508 -1.293 . . . . 0.0 107.508 172.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.78 -41.26 99.88 Favored Glycine 0 C--O 1.242 0.594 0 CA-C-N 114.802 -1.09 . . . . 0.0 110.777 176.023 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . 0.491 ' HG2' ' O ' ' B' ' 17' ' ' ALA . 74.5 mmtt -61.99 -47.2 85.85 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.622 -0.511 . . . . 0.0 109.622 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.579 ' CD ' ' H ' ' B' ' 29' ' ' SER . 98.8 mt-10 -72.87 -48.95 33.1 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.857 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 158.01 -45.55 0.47 Allowed Glycine 0 CA--C 1.532 1.108 0 C-N-CA 120.346 -0.931 . . . . 0.0 113.157 -178.067 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -66.42 147.28 53.53 Favored 'General case' 0 N--CA 1.478 0.966 0 CA-C-N 117.671 0.736 . . . . 0.0 111.153 -176.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.544 ' NZ ' ' CZ ' ' B' ' 26' ' ' TYR . 16.2 pttp -63.48 -37.39 87.11 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 120.518 -0.473 . . . . 0.0 110.072 176.282 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.544 ' CZ ' ' NZ ' ' B' ' 25' ' ' LYS . 2.8 p90 -158.23 92.04 1.14 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.064 169.57 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.515 ' HG2' ' O ' ' B' ' 26' ' ' TYR . 6.5 mmmm -163.7 157.4 19.13 Favored 'General case' 0 CA--C 1.495 -1.173 0 N-CA-C 106.159 -1.793 . . . . 0.0 106.159 168.134 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.516 ' HB2' ' CE1' ' B' ' 15' ' ' PHE . 38.5 tp -123.55 135.58 54.08 Favored 'General case' 0 C--N 1.292 -1.926 0 C-N-CA 119.987 -0.685 . . . . 0.0 109.847 -179.463 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.579 ' H ' ' CD ' ' B' ' 22' ' ' GLU . 2.1 m -102.54 177.47 4.85 Favored 'General case' 0 C--N 1.294 -1.838 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 178.756 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.408 ' HZ2' ' HG3' ' B' ' 30' ' ' LYS . 0.0 OUTLIER -76.03 -3.56 36.44 Favored 'General case' 0 C--N 1.304 -1.37 0 C-N-CA 120.047 -0.661 . . . . 0.0 109.312 177.296 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.437 ' HG3' ' HB2' ' B' ' 29' ' ' SER . 61.8 mttm -61.29 -45.35 94.84 Favored 'General case' 0 CA--C 1.51 -0.593 0 N-CA-C 108.183 -1.044 . . . . 0.0 108.183 -178.158 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.497 ' HB2' HD11 ' B' ' 28' ' ' LEU . 63.3 mm-40 -111.32 -28.94 8.01 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-N 114.236 -1.347 . . . . 0.0 111.559 -173.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.619 HD21 HD23 ' B' ' 77' ' ' LEU . 2.3 tm? -57.91 -50.75 72.28 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.517 -0.473 . . . . 0.0 111.63 -170.341 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 17.2 pttp -68.16 -39.67 82.52 Favored 'General case' 0 C--N 1.315 -0.928 0 C-N-CA 119.869 -0.733 . . . . 0.0 110.655 178.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -67.87 -43.88 78.36 Favored 'General case' 0 C--O 1.24 0.579 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.67 -179.405 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.603 HD12 ' C ' ' B' ' 36' ' ' LEU . 0.5 OUTLIER -78.91 -38.32 37.74 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.053 -0.522 . . . . 0.0 112.202 -178.221 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.679 HD21 HD22 ' B' ' 41' ' ' LEU . 2.3 tm? -59.62 -46.27 89.47 Favored 'General case' 0 CA--C 1.512 -0.484 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.005 -176.162 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.65 ' HB2' HD22 ' B' ' 45' ' ' LEU . 15.1 pt20 -63.07 -41.84 99.54 Favored 'General case' 0 C--N 1.316 -0.869 0 C-N-CA 119.921 -0.712 . . . . 0.0 109.468 175.443 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.459 ' N ' ' HG3' ' B' ' 38' ' ' GLN . 93.1 m -65.44 -53.16 46.79 Favored 'General case' 0 N--CA 1.437 -1.083 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.85 -176.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -69.78 -41.61 74.9 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -177.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.679 HD22 HD21 ' B' ' 37' ' ' LEU . 11.1 mp -95.45 37.57 1.18 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.13 0.491 . . . . 0.0 110.133 179.601 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -55.91 -34.56 65.69 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.652 -0.703 . . . . 0.0 111.569 -177.537 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.31 -51.8 35.47 Favored Glycine 0 C--O 1.242 0.648 0 N-CA-C 110.75 -0.94 . . . . 0.0 110.75 176.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.493 ' O ' ' HG2' ' B' ' 48' ' ' GLN . 44.2 m-85 -65.79 -41.58 91.8 Favored 'General case' 0 CA--C 1.494 -1.21 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 177.226 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.658 ' O ' HD12 ' B' ' 45' ' ' LEU . 1.4 tp -54.32 -46.54 72.87 Favored 'General case' 0 CA--C 1.499 -0.987 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.303 -177.269 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.59 ' O ' ' NZ ' ' B' ' 49' ' ' LYS . 13.0 t70 -60.79 -45.22 95.23 Favored 'General case' 0 C--N 1.3 -1.575 0 C-N-CA 119.852 -0.739 . . . . 0.0 111.022 176.167 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.37 -39.74 92.66 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 -179.466 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.78 HE22 HG21 ' B' ' 54' ' ' VAL . 0.0 OUTLIER -78.85 -5.95 54.81 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 -174.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.59 ' NZ ' ' O ' ' B' ' 46' ' ' ASP . 5.6 mtmp? -58.49 -41.62 85.73 Favored 'General case' 0 CA--C 1.516 -0.346 0 C-N-CA 119.538 -0.865 . . . . 0.0 109.953 -177.238 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -95.18 16.37 16.7 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.764 -177.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . 0.565 ' C ' ' H ' ' B' ' 53' ' ' ALA . 22.7 t -109.38 -15.56 9.48 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 N-CA-C 111.853 0.316 . . . . 0.0 111.853 -177.531 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 30.0 t70 59.05 -23.3 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 -178.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.565 ' H ' ' C ' ' B' ' 51' ' ' VAL . . . -51.87 -35.64 45.71 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-O 120.809 0.337 . . . . 0.0 110.57 -178.638 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.78 HG21 HE22 ' B' ' 48' ' ' GLN . 7.1 p -60.3 -40.09 82.8 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.406 178.632 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' B' ' 59' ' ' LYS . 33.2 t70 -57.41 -48.32 79.41 Favored 'General case' 0 CA--C 1.513 -0.467 0 C-N-CA 120.093 -0.643 . . . . 0.0 110.45 179.594 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.49 -43.55 96.92 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.998 179.689 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.518 HG12 HD12 ' B' ' 77' ' ' LEU . 95.4 t -63.83 -46.45 94.31 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.654 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 178.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 62.7 ttp -60.31 -43.3 96.47 Favored 'General case' 0 N--CA 1.429 -1.479 0 CA-C-N 114.819 -1.082 . . . . 0.0 109.853 175.209 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' B' ' 55' ' ' ASP . 14.0 tptp -62.71 -45.58 92.09 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.006 -178.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -69.54 -43.89 72.05 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.554 178.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.408 HD11 HG23 ' B' ' 76' ' ' VAL . 3.0 mm? -64.88 -38.58 91.45 Favored 'General case' 0 C--O 1.24 0.596 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.503 178.537 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -57.06 -29.72 63.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.21 -177.158 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -54.58 -58.36 7.79 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 177.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . 0.492 ' C ' ' H ' ' B' ' 66' ' ' ASP . 80.3 m-20 -64.42 -40.95 96.76 Favored 'General case' 0 CA--C 1.504 -0.789 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.237 175.01 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -69.23 39.04 0.33 Allowed Glycine 0 C--N 1.32 -0.318 0 N-CA-C 111.32 -0.712 . . . . 0.0 111.32 -178.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.492 ' H ' ' C ' ' B' ' 64' ' ' ASN . 35.3 t70 -61.74 -42.35 98.85 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 177.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -134.17 -72.61 0.08 OUTLIER Glycine 0 C--N 1.317 -0.479 0 N-CA-C 109.475 -1.45 . . . . 0.0 109.475 176.216 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -91.44 152.63 20.3 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.81 0.338 . . . . 0.0 110.827 176.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.54 HG23 ' HB3' ' B' ' 73' ' ' GLU . 1.7 p -127.22 125.86 66.87 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 N-CA-C 107.221 -1.399 . . . . 0.0 107.221 168.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.5 ' CG ' ' N ' ' B' ' 71' ' ' PHE . 14.4 t70 -91.21 172.63 8.42 Favored 'General case' 0 C--N 1.308 -1.201 0 C-N-CA 120.117 -0.633 . . . . 0.0 111.428 -171.815 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.595 ' O ' HG22 ' B' ' 75' ' ' VAL . 52.7 t80 -59.39 -43.41 92.94 Favored 'General case' 0 C--N 1.314 -0.955 0 N-CA-C 108.45 -0.945 . . . . 0.0 108.45 -179.72 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.474 ' HG3' HG11 ' A' ' 83' ' ' VAL . 74.3 mt-30 -59.1 -38.34 79.29 Favored 'General case' 0 N--CA 1.437 -1.076 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.144 175.346 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.54 ' HB3' HG23 ' B' ' 69' ' ' VAL . 62.4 mm-40 -69.66 -42.71 73.83 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.62 0.724 . . . . 0.0 110.04 173.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 33.9 t80 -61.38 -47.18 87.0 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.188 -0.914 . . . . 0.0 111.803 -177.336 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.878 HG21 ' CB ' ' A' ' 79' ' ' ALA . 18.0 m -64.68 -41.36 92.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 C-N-CA 120.25 -0.58 . . . . 0.0 111.741 -178.324 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.424 HG22 ' O ' ' B' ' 73' ' ' GLU . 23.6 m -65.79 -37.43 79.9 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.111 0 C-N-CA 120.245 -0.582 . . . . 0.0 111.073 178.282 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.619 HD23 HD21 ' B' ' 33' ' ' LEU . 48.3 tp -60.83 -48.81 80.09 Favored 'General case' 0 CA--C 1.511 -0.521 0 C-N-CA 120.15 -0.62 . . . . 0.0 110.08 178.666 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.478 ' HB ' HD21 ' B' ' 41' ' ' LEU . 13.9 m -70.25 -42.25 78.87 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.7 0 C-N-CA 120.023 -0.671 . . . . 0.0 111.295 176.757 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.768 ' CB ' HG21 ' A' ' 75' ' ' VAL . . . -64.32 -42.62 96.21 Favored 'General case' 0 CA--C 1.503 -0.861 0 C-N-CA 120.606 -0.438 . . . . 0.0 111.195 179.576 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . 0.405 ' O ' HG12 ' B' ' 83' ' ' VAL . . . -59.43 -44.61 92.86 Favored 'General case' 0 N--CA 1.444 -0.759 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 179.549 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.486 HD21 ' HA ' ' B' ' 54' ' ' VAL . 99.6 mt -62.88 -43.18 99.49 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.426 175.122 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.428 ' O ' ' HB2' ' B' ' 86' ' ' ASN . 17.6 m -63.03 -49.68 73.66 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.728 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.405 HG12 ' O ' ' B' ' 80' ' ' ALA . 1.6 p -64.01 -44.31 97.81 Favored 'Isoleucine or valine' 0 C--O 1.238 0.475 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.772 -179.472 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -58.82 -52.41 65.83 Favored 'General case' 0 C--O 1.238 0.473 0 C-N-CA 120.709 -0.397 . . . . 0.0 110.262 178.074 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 85' ' ' MET . . . . . 0.426 ' SD ' HG21 ' B' ' 51' ' ' VAL . 94.5 mmm -65.31 -41.7 93.77 Favored 'General case' 0 CA--C 1.515 -0.382 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.788 178.033 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.462 ' HA ' ' HB2' ' B' ' 89' ' ' PHE . 10.8 m-80 -62.18 -41.05 97.96 Favored 'General case' 0 CA--C 1.495 -1.142 0 C-N-CA 120.452 -0.499 . . . . 0.0 111.85 178.132 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . 0.418 ' C ' ' ND2' ' B' ' 87' ' ' ASN . 0.5 OUTLIER -56.67 -43.61 80.58 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 119.31 -0.956 . . . . 0.0 109.085 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -67.75 -41.69 82.98 Favored 'General case' 0 C--O 1.219 -0.507 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.906 173.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . 0.462 ' HB2' ' HA ' ' B' ' 86' ' ' ASN . 3.9 t80 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.683 -170.151 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.248 0.995 0 CA-C-O 120.838 0.352 . . . . 0.0 110.741 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 54.5 mp0 -58.09 -38.27 76.1 Favored 'General case' 0 C--N 1.313 -1.017 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 176.021 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.899 HD21 HG21 ' B' ' 14' ' ' VAL . 1.2 mm? -60.55 -45.39 94.06 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 178.458 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.469 ' HG2' ' CD2' ' B' ' 44' ' ' PHE . 95.3 mt-10 -65.76 -41.12 92.49 Favored 'General case' 0 C--N 1.316 -0.884 0 C-N-CA 119.756 -0.778 . . . . 0.0 109.31 176.485 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.2 m -62.47 -48.95 77.38 Favored 'General case' 0 C--O 1.245 0.848 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.396 177.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.82 -48.55 81.31 Favored 'General case' 0 CA--C 1.509 -0.629 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 178.454 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.563 ' HG2' ' O ' ' A' ' 4' ' ' LEU . 96.5 mmm -63.56 -40.41 96.91 Favored 'General case' 0 N--CA 1.444 -0.772 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.536 -179.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -62.5 -35.99 81.1 Favored 'General case' 0 C--O 1.241 0.647 0 C-N-CA 120.108 -0.637 . . . . 0.0 111.2 174.194 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 17.4 m -57.49 -44.43 84.92 Favored 'General case' 0 C--N 1.312 -1.053 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 176.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 1.055 HD23 HD22 ' B' ' 4' ' ' LEU . 90.0 mt -63.95 -40.83 97.33 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.88 174.455 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.456 HD13 ' CD1' ' A' ' 71' ' ' PHE . 20.7 mm -62.21 -43.74 98.28 Favored 'Isoleucine or valine' 0 C--O 1.237 0.401 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 -179.493 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 66.1 m-20 -61.08 -43.15 99.32 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.973 -176.044 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 1.029 HG21 HD11 ' B' ' 4' ' ' LEU . 86.1 t -65.33 -43.24 95.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.462 175.305 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.561 ' CE1' ' HB2' ' A' ' 28' ' ' LEU . 62.6 t80 -56.92 -48.07 79.13 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.506 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -59.84 -44.45 94.08 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-N 116.258 -0.428 . . . . 0.0 112.117 176.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.88 -47.9 76.53 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 -179.178 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.531 ' NE2' ' HB2' ' A' ' 36' ' ' LEU . 89.8 m-70 -68.87 -37.05 78.8 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.902 177.316 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 74.1 m -54.88 -40.93 70.26 Favored 'General case' 0 C--O 1.242 0.71 0 N-CA-C 108.307 -0.998 . . . . 0.0 108.307 173.235 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.55 -42.62 97.8 Favored Glycine 0 N--CA 1.45 -0.406 0 N-CA-C 109.932 -1.267 . . . . 0.0 109.932 174.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 60.3 mttm -67.75 -45.57 74.56 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 120.604 0.24 . . . . 0.0 111.37 179.348 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.43 ' OE2' ' N ' ' A' ' 24' ' ' ASP . 0.0 OUTLIER -68.91 -37.24 78.82 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.92 -175.575 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 125.23 -30.44 4.54 Favored Glycine 0 N--CA 1.467 0.757 0 CA-C-N 116.35 -0.386 . . . . 0.0 113.046 175.507 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.43 ' N ' ' OE2' ' A' ' 22' ' ' GLU . 16.8 t70 -66.85 153.35 43.65 Favored 'General case' 0 CA--C 1.509 -0.621 0 CA-C-N 117.374 0.587 . . . . 0.0 111.434 -177.333 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.427 ' HD2' ' CE2' ' A' ' 26' ' ' TYR . 32.1 pttt -57.55 -44.49 85.25 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.054 177.059 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.427 ' CE2' ' HD2' ' A' ' 25' ' ' LYS . 4.3 p90 -158.54 92.69 1.15 Allowed 'General case' 0 C--N 1.315 -0.9 0 CA-C-O 121.646 0.736 . . . . 0.0 110.289 171.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.416 ' HG2' ' O ' ' A' ' 26' ' ' TYR . 36.0 mmtm -160.58 164.83 31.65 Favored 'General case' 0 C--N 1.307 -1.266 0 CA-C-N 114.044 -1.435 . . . . 0.0 108.259 174.544 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.561 ' HB2' ' CE1' ' A' ' 15' ' ' PHE . 36.0 tp -124.37 129.1 50.09 Favored 'General case' 0 C--N 1.294 -1.825 0 N-CA-C 107.575 -1.268 . . . . 0.0 107.575 173.383 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 94.7 p -82.9 165.2 19.95 Favored 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 178.149 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.681 ' HD2' HG12 ' A' ' 69' ' ' VAL . 0.0 OUTLIER -74.85 -6.12 47.33 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 117.913 -1.515 . . . . 0.0 108.51 178.712 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 25.0 mttm -71.46 -59.01 2.99 Favored 'General case' 0 CA--C 1.516 -0.339 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 177.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -65.94 -39.42 90.46 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 114.652 -1.158 . . . . 0.0 110.003 179.437 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.989 HD11 HD22 ' A' ' 77' ' ' LEU . 2.2 tm? -60.01 -47.73 84.64 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.621 -174.594 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.51 ' NZ ' ' OD2' ' A' ' 62' ' ' ASP . 4.6 mmmm -67.23 -43.86 80.93 Favored 'General case' 0 C--N 1.312 -1.044 0 C-N-CA 120.209 -0.597 . . . . 0.0 111.384 178.475 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.425 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 68.3 mm-40 -72.13 -43.8 64.14 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.404 -177.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.591 ' C ' HD12 ' A' ' 36' ' ' LEU . 0.3 OUTLIER -66.89 -40.72 87.83 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.457 -0.497 . . . . 0.0 111.867 179.575 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.722 HD23 HG12 ' A' ' 78' ' ' VAL . 2.0 tm? -60.1 -47.73 84.67 Favored 'General case' 0 CA--C 1.511 -0.523 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.61 -175.404 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.461 ' HA ' HD22 ' A' ' 45' ' ' LEU . 13.3 pt20 -64.84 -42.55 94.82 Favored 'General case' 0 C--N 1.309 -1.157 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.878 176.218 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 96.3 m -63.6 -52.58 60.31 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.823 -177.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.638 ' HB3' HD12 ' B' ' 4' ' ' LEU . 69.7 mm-40 -73.1 -38.43 66.35 Favored 'General case' 0 N--CA 1.465 0.275 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -175.346 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.407 ' N ' HD12 ' A' ' 41' ' ' LEU . 10.8 mp -103.73 40.2 1.47 Allowed 'General case' 0 C--O 1.24 0.595 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.575 -175.75 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -55.82 -39.37 71.28 Favored 'General case' 0 C--N 1.307 -1.266 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.865 -176.878 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.38 -46.44 86.16 Favored Glycine 0 N--CA 1.449 -0.442 0 N-CA-C 111.368 -0.693 . . . . 0.0 111.368 178.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.646 ' HA ' ' SD ' ' A' ' 85' ' ' MET . 32.9 m-85 -66.0 -43.36 87.93 Favored 'General case' 0 CA--C 1.496 -1.122 0 CA-C-O 121.382 0.61 . . . . 0.0 109.624 176.095 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.461 HD22 ' HA ' ' A' ' 38' ' ' GLN . 22.3 tp -61.21 -48.38 81.79 Favored 'General case' 0 N--CA 1.429 -1.51 0 CA-C-N 114.99 -1.005 . . . . 0.0 110.877 176.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.402 ' N ' ' O ' ' A' ' 42' ' ' SER . 7.2 m-20 -66.4 -39.53 89.09 Favored 'General case' 0 C--N 1.312 -1.055 0 N-CA-C 112.57 0.582 . . . . 0.0 112.57 177.669 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.825 ' HB3' ' SD ' ' A' ' 85' ' ' MET . . . -56.83 -45.97 82.01 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.905 0.383 . . . . 0.0 110.913 -175.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.54 ' HB2' ' HB ' ' A' ' 51' ' ' VAL . 1.0 OUTLIER -116.58 40.87 2.81 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 121.233 0.54 . . . . 0.0 109.554 177.516 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.5 tttp -61.53 -43.21 99.28 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 -175.449 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 59.7 m-20 -93.43 -0.16 56.57 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 114.332 -1.304 . . . . 0.0 112.345 -176.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.773 ' O ' HG12 ' A' ' 54' ' ' VAL . 61.7 t -84.59 133.03 30.19 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.545 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 -178.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -54.78 -32.77 60.54 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -176.097 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.473 ' H ' HG12 ' A' ' 51' ' ' VAL . . . -53.49 -37.04 62.34 Favored 'General case' 0 C--N 1.317 -0.805 0 C-N-CA 120.98 -0.288 . . . . 0.0 111.324 -176.632 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.773 HG12 ' O ' ' A' ' 51' ' ' VAL . 8.3 p -61.43 -36.67 74.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 C-N-CA 120.611 -0.435 . . . . 0.0 109.922 -178.585 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -59.02 -44.12 91.66 Favored 'General case' 0 CA--C 1.5 -0.956 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 177.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -63.48 -44.75 93.5 Favored 'General case' 0 CA--C 1.489 -1.376 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.31 -177.548 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.766 HG11 ' HG ' ' A' ' 81' ' ' LEU . 99.8 t -61.73 -45.27 99.05 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.244 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 179.431 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 13.9 mmm -63.54 -44.84 93.05 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.196 178.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.477 ' NZ ' ' OE2' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -68.39 -48.52 64.48 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.228 -178.228 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -66.58 -42.5 86.88 Favored 'General case' 0 N--CA 1.438 -1.067 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.851 -174.257 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.793 ' HG ' HD13 ' A' ' 77' ' ' LEU . 4.5 mm? -63.51 -39.82 95.43 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 119.864 -0.734 . . . . 0.0 110.443 170.099 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.51 ' OD2' ' NZ ' ' A' ' 34' ' ' LYS . 49.8 m-20 -62.58 -18.31 61.87 Favored 'General case' 0 CA--C 1.515 -0.393 0 C-N-CA 120.769 -0.372 . . . . 0.0 111.372 179.581 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.477 ' OE2' ' NZ ' ' A' ' 59' ' ' LYS . 81.0 mm-40 -59.43 -36.27 75.58 Favored 'General case' 0 CA--C 1.511 -0.532 0 N-CA-C 107.399 -1.334 . . . . 0.0 107.399 173.272 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.513 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . 38.5 t-20 -108.45 35.95 3.0 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 114.955 -1.02 . . . . 0.0 108.787 174.29 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.488 ' HA2' ' HE2' ' A' ' 30' ' ' LYS . . . -94.79 20.03 50.84 Favored Glycine 0 C--O 1.228 -0.266 0 N-CA-C 109.917 -1.273 . . . . 0.0 109.917 179.713 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -63.85 -39.83 95.14 Favored 'General case' 0 C--N 1.313 -1.002 0 N-CA-C 112.921 0.711 . . . . 0.0 112.921 -175.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -161.46 -70.95 0.02 OUTLIER Glycine 0 CA--C 1.527 0.809 0 C-N-CA 119.71 -1.233 . . . . 0.0 113.947 -176.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.405 ' C ' ' HD3' ' A' ' 30' ' ' LYS . 0.4 OUTLIER -113.16 154.14 27.15 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 -173.9 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.977 HG23 ' HB2' ' A' ' 73' ' ' GLU . 0.2 OUTLIER -130.32 132.75 64.75 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 C-N-CA 123.73 0.812 . . . . 0.0 109.431 173.046 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.36 -173.39 3.05 Favored 'General case' 0 C--N 1.312 -1.05 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 178.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.504 ' HB3' ' HB ' ' B' ' 83' ' ' VAL . 29.9 t80 -61.33 -43.24 99.2 Favored 'General case' 0 C--N 1.301 -1.533 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.849 178.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -59.27 -45.61 90.75 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.37 179.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.977 ' HB2' HG23 ' A' ' 69' ' ' VAL . 81.6 mt-10 -65.71 -39.27 91.04 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 119.723 -0.791 . . . . 0.0 109.555 175.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -61.11 -48.74 80.25 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.483 -179.007 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.863 HG21 ' CB ' ' B' ' 79' ' ' ALA . 32.8 m -66.52 -40.64 86.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 -178.277 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.429 ' O ' ' N ' ' A' ' 80' ' ' ALA . 14.7 p -63.85 -39.14 84.35 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 C-N-CA 120.446 -0.502 . . . . 0.0 110.288 -177.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.989 HD22 HD11 ' A' ' 33' ' ' LEU . 44.2 tp -61.34 -49.44 76.95 Favored 'General case' 0 CA--C 1.513 -0.45 0 C-N-CA 120.684 -0.407 . . . . 0.0 110.902 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.722 HG12 HD23 ' A' ' 37' ' ' LEU . 29.9 m -68.12 -42.68 85.18 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.823 0 C-N-CA 119.877 -0.729 . . . . 0.0 109.989 178.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.942 ' CB ' HG21 ' B' ' 75' ' ' VAL . . . -64.03 -39.54 94.33 Favored 'General case' 0 CA--C 1.506 -0.736 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.233 179.141 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 76' ' ' VAL . . . -57.31 -47.21 82.1 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 -178.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.766 ' HG ' HG11 ' A' ' 57' ' ' VAL . 93.9 mt -63.04 -41.14 99.44 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.42 173.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.526 HG22 HD11 ' B' ' 12' ' ' ILE . 20.6 m -60.74 -51.94 67.21 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.688 -178.685 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.447 HG11 ' HG3' ' B' ' 72' ' ' GLN . 7.2 p -63.85 -43.19 97.76 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.552 0 C-N-CA 119.88 -0.728 . . . . 0.0 110.509 178.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.54 -49.61 76.84 Favored 'General case' 0 N--CA 1.441 -0.882 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 179.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.825 ' SD ' ' HB3' ' A' ' 47' ' ' ALA . 26.2 ttp -73.29 -44.69 58.7 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 120.162 -0.615 . . . . 0.0 111.28 -178.421 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.422 ' HB3' ' NE1' ' A' ' 90' ' ' TRP . 10.8 m120 -61.94 -33.97 75.25 Favored 'General case' 0 CA--C 1.503 -0.858 0 C-N-CA 121.027 -0.269 . . . . 0.0 110.886 -176.493 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.497 ' HA ' ' CE3' ' A' ' 90' ' ' TRP . 36.8 t30 -49.97 -35.14 23.16 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.033 175.761 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -61.34 -44.17 97.63 Favored 'General case' 0 C--O 1.222 -0.351 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 176.293 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -64.49 -40.04 94.92 Favored 'General case' 0 CA--C 1.511 -0.532 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.793 176.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.729 ' HZ2' HD12 ' B' ' 12' ' ' ILE . 38.2 m0 . . . . . 0 C--N 1.313 -1.004 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 -179.004 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 4.8 m . . . . . 0 N--CA 1.448 -0.574 0 CA-C-O 120.929 0.395 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . 0.412 ' H ' ' CD ' ' B' ' 3' ' ' GLU . 54.9 mp0 -51.73 -17.96 1.07 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.147 -177.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 1.055 HD22 HD23 ' A' ' 11' ' ' LEU . 96.0 mt -61.52 -41.84 97.92 Favored 'General case' 0 N--CA 1.44 -0.949 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.855 -178.042 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -62.01 -45.94 91.37 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 120.207 -0.597 . . . . 0.0 110.01 178.375 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 7.4 m -63.29 -45.85 89.49 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.061 0.458 . . . . 0.0 109.985 175.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.8 -46.79 77.92 Favored 'General case' 0 CA--C 1.513 -0.471 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 178.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . 0.5 ' SD ' HD11 ' A' ' 11' ' ' LEU . 95.5 mmm -63.31 -41.08 98.91 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.208 179.647 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -66.01 -35.69 81.25 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 119.037 -1.065 . . . . 0.0 110.279 175.034 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.533 ' O ' HG23 ' B' ' 14' ' ' VAL . 10.5 m -57.62 -43.44 84.76 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 177.474 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.722 ' CD2' HD13 ' A' ' 4' ' ' LEU . 94.7 mt -61.9 -42.76 99.46 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.327 175.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.729 HD12 ' HZ2' ' A' ' 90' ' ' TRP . 22.5 mm -62.84 -45.38 98.99 Favored 'Isoleucine or valine' 0 C--O 1.24 0.588 0 CA-C-O 121.186 0.517 . . . . 0.0 110.209 -178.157 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 60.7 m-80 -64.35 -41.22 96.86 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.32 -179.519 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.899 HG21 HD21 ' A' ' 4' ' ' LEU . 90.7 t -66.63 -43.78 90.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 176.339 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -58.53 -47.39 84.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.467 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.476 ' HA ' ' OG ' ' B' ' 19' ' ' SER . 23.4 m-70 -78.16 -15.44 58.84 Favored 'General case' 0 C--O 1.24 0.558 0 N-CA-C 113.364 0.876 . . . . 0.0 113.364 -178.216 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.48 -34.98 69.6 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 175.119 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.408 ' O ' ' HB2' ' B' ' 21' ' ' LYS . 92.3 m-70 -89.06 -23.84 22.46 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 114.928 -1.033 . . . . 0.0 112.014 177.095 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.476 ' OG ' ' HA ' ' B' ' 16' ' ' HIS . 73.9 m -54.71 -37.77 66.26 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 120.445 -0.502 . . . . 0.0 109.998 178.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.18 -27.41 70.53 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 110.641 -0.984 . . . . 0.0 110.641 178.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . 0.41 ' HB2' ' HG3' ' B' ' 32' ' ' GLU . 14.6 mmtp -67.15 -43.81 81.36 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 112.913 0.709 . . . . 0.0 112.913 -172.496 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.424 ' OE1' ' N ' ' B' ' 23' ' ' GLY . 0.0 OUTLIER -143.11 -63.67 0.41 Allowed 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 -176.605 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . 0.424 ' N ' ' OE1' ' B' ' 22' ' ' GLU . . . -61.46 -166.11 0.37 Allowed Glycine 0 CA--C 1.528 0.854 0 CA-C-N 115.602 -0.726 . . . . 0.0 113.401 -170.481 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . 0.474 ' CG ' ' N ' ' B' ' 25' ' ' LYS . 32.7 t70 -64.33 175.24 1.37 Allowed 'General case' 0 C--O 1.237 0.403 0 C-N-CA 123.237 0.615 . . . . 0.0 110.822 -179.263 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.474 ' N ' ' CG ' ' B' ' 24' ' ' ASP . 8.6 pttm -51.84 -41.19 61.63 Favored 'General case' 0 C--O 1.24 0.566 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 176.266 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.567 ' CD1' ' HB3' ' A' ' 90' ' ' TRP . 0.0 OUTLIER -126.52 92.09 3.49 Favored 'General case' 0 N--CA 1.445 -0.722 0 C-N-CA 119.629 -0.828 . . . . 0.0 110.337 168.318 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.612 ' NZ ' ' HB3' ' B' ' 70' ' ' ASP . 0.6 OUTLIER -167.01 179.69 5.09 Favored 'General case' 0 C--N 1.31 -1.132 0 C-N-CA 124.795 1.238 . . . . 0.0 107.957 169.591 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.557 HD11 ' HB2' ' B' ' 32' ' ' GLU . 48.0 tp -146.03 132.64 19.86 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 173.229 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 2.5 m -83.52 158.26 22.06 Favored 'General case' 0 C--N 1.314 -0.948 0 C-N-CA 119.605 -0.838 . . . . 0.0 109.025 177.382 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.559 ' NZ ' ' O ' ' B' ' 64' ' ' ASN . 0.3 OUTLIER -66.98 -5.82 14.36 Favored 'General case' 0 C--O 1.246 0.869 0 C-N-CA 120.014 -0.674 . . . . 0.0 109.623 179.535 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 46.9 mttm -65.85 -67.16 0.46 Allowed 'General case' 0 CA--C 1.514 -0.41 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.053 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.557 ' HB2' HD11 ' B' ' 28' ' ' LEU . 66.2 mm-40 -65.76 -36.15 82.75 Favored 'General case' 0 N--CA 1.434 -1.258 0 CA-C-N 114.609 -1.178 . . . . 0.0 110.857 -179.682 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.911 HD11 ' CD2' ' B' ' 77' ' ' LEU . 1.8 tm? -57.15 -49.23 76.59 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 -168.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.494 ' NZ ' ' O ' ' B' ' 30' ' ' LYS . 38.5 mtmm -63.77 -43.91 94.96 Favored 'General case' 0 C--N 1.317 -0.832 0 C-N-CA 118.972 -1.091 . . . . 0.0 109.37 -179.024 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.726 ' O ' HG22 ' B' ' 39' ' ' THR . 92.0 mt-10 -68.65 -40.53 80.19 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-N 114.324 -1.307 . . . . 0.0 109.79 -178.639 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.502 ' HB3' ' O ' ' B' ' 32' ' ' GLU . 3.6 tp -62.54 -45.63 92.07 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.114 -0.948 . . . . 0.0 110.371 171.617 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.856 HD11 ' CD1' ' B' ' 81' ' ' LEU . 2.6 tm? -63.15 -45.78 90.25 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.943 -178.205 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.439 ' HG2' ' O ' ' B' ' 35' ' ' GLU . 21.1 pt20 -64.27 -46.0 85.59 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.061 -0.656 . . . . 0.0 112.462 -177.002 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.726 HG22 ' O ' ' B' ' 35' ' ' GLU . 0.5 OUTLIER -61.77 -51.76 67.01 Favored 'General case' 0 C--O 1.244 0.809 0 C-N-CA 119.632 -0.827 . . . . 0.0 111.394 -177.148 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.486 ' HB3' ' HG ' ' A' ' 4' ' ' LEU . 40.1 mm-40 -69.58 -36.46 76.27 Favored 'General case' 0 N--CA 1.439 -0.978 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -174.142 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.409 HD22 HD21 ' B' ' 37' ' ' LEU . 9.3 mp -102.77 28.66 5.94 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.532 179.396 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 30.8 m -52.61 -42.13 64.31 Favored 'General case' 0 C--O 1.242 0.676 0 CA-C-O 120.823 0.344 . . . . 0.0 110.721 -178.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -61.75 -44.65 97.61 Favored Glycine 0 N--CA 1.449 -0.452 0 N-CA-C 110.704 -0.958 . . . . 0.0 110.704 179.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.703 ' CE2' HG23 ' B' ' 82' ' ' THR . 14.0 m-85 -73.12 -45.63 55.84 Favored 'General case' 0 CA--C 1.501 -0.913 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.452 176.291 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.653 HD12 HE21 ' B' ' 48' ' ' GLN . 15.2 tp -61.62 -49.95 74.54 Favored 'General case' 0 C--N 1.312 -1.028 0 N-CA-C 114.059 1.133 . . . . 0.0 114.059 -172.157 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.45 ' OD1' ' NZ ' ' B' ' 49' ' ' LYS . 21.9 t70 -65.55 -36.9 85.14 Favored 'General case' 0 C--N 1.306 -1.31 0 C-N-CA 120.189 -0.604 . . . . 0.0 110.9 -177.355 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.64 -34.97 78.13 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.381 178.31 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.653 HE21 HD12 ' B' ' 45' ' ' LEU . 2.7 pp0? -103.62 15.06 29.82 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 -172.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.45 ' NZ ' ' OD1' ' B' ' 46' ' ' ASP . 91.3 mttt -59.09 -40.29 84.83 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 120.722 -0.391 . . . . 0.0 111.809 179.246 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -98.75 22.77 9.58 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-O 120.734 0.302 . . . . 0.0 111.623 -175.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . 0.634 ' O ' HG12 ' B' ' 51' ' ' VAL . 45.9 t -104.38 14.6 6.86 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.392 -179.532 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.407 ' OD2' ' NZ ' ' B' ' 56' ' ' LYS . 19.8 t70 60.84 -46.94 0.11 Allowed 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 112.763 0.653 . . . . 0.0 112.763 176.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.476 ' N ' ' O ' ' B' ' 51' ' ' VAL . . . -48.49 -34.53 11.34 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.812 -174.206 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.462 ' HB ' ' OE1' ' B' ' 48' ' ' GLN . 14.7 p -52.56 -37.57 24.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 179.297 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.471 ' OD1' ' NZ ' ' B' ' 59' ' ' LYS . 33.7 t70 -61.48 -48.06 82.81 Favored 'General case' 0 CA--C 1.51 -0.579 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.67 176.279 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . 0.407 ' NZ ' ' OD2' ' B' ' 52' ' ' ASP . 41.0 mttp -65.42 -43.33 90.86 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.487 -178.692 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.529 HG11 ' HG ' ' B' ' 81' ' ' LEU . 70.5 t -64.44 -44.73 97.06 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-N 115.121 -0.945 . . . . 0.0 108.649 178.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 65.9 ttp -60.58 -38.84 85.96 Favored 'General case' 0 N--CA 1.43 -1.455 0 CA-C-N 114.346 -1.297 . . . . 0.0 109.549 173.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . 0.471 ' NZ ' ' OD1' ' B' ' 55' ' ' ASP . 0.4 OUTLIER -59.95 -48.77 80.32 Favored 'General case' 0 CA--C 1.508 -0.656 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.37 -174.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -63.26 -41.54 99.05 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.274 -178.16 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.715 ' HG ' HD13 ' B' ' 77' ' ' LEU . 2.1 mm? -62.93 -39.82 95.77 Favored 'General case' 0 C--N 1.314 -0.965 0 C-N-CA 120.193 -0.603 . . . . 0.0 109.846 175.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -64.53 -40.24 95.24 Favored 'General case' 0 C--O 1.234 0.273 0 O-C-N 123.561 0.538 . . . . 0.0 110.541 176.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . 0.442 ' HG3' ' O ' ' B' ' 59' ' ' LYS . 98.7 mt-10 -60.3 -41.13 92.76 Favored 'General case' 0 CA--C 1.51 -0.576 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 178.211 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . 0.559 ' O ' ' NZ ' ' B' ' 30' ' ' LYS . 23.2 m120 -90.24 17.42 7.14 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-N 114.49 -1.232 . . . . 0.0 109.39 176.068 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . 0.433 ' HA2' ' HG3' ' B' ' 30' ' ' LYS . . . -104.51 26.02 24.0 Favored Glycine 0 C--O 1.224 -0.491 0 CA-C-N 116.059 -0.519 . . . . 0.0 112.194 -174.107 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -61.72 -41.39 97.57 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.778 178.485 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -136.69 -71.57 0.06 OUTLIER Glycine 0 C--N 1.32 -0.359 0 N-CA-C 111.649 -0.58 . . . . 0.0 111.649 -177.48 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -133.63 176.47 8.52 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.342 0.592 . . . . 0.0 112.181 -178.265 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.953 HG23 ' HB2' ' B' ' 73' ' ' GLU . 1.5 p -127.21 136.59 60.26 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.162 0 C-N-CA 124.342 1.057 . . . . 0.0 109.288 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.612 ' HB3' ' NZ ' ' B' ' 27' ' ' LYS . 0.6 OUTLIER -101.17 -176.96 3.3 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 121.583 0.706 . . . . 0.0 111.59 179.151 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.592 ' O ' HG22 ' B' ' 75' ' ' VAL . 48.2 t80 -60.14 -44.05 95.25 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-N 114.822 -1.081 . . . . 0.0 109.769 -179.066 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.447 ' HG3' HG11 ' A' ' 83' ' ' VAL . 24.6 mt-30 -60.03 -40.78 90.51 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.659 179.225 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.953 ' HB2' HG23 ' B' ' 69' ' ' VAL . 70.6 mt-10 -67.18 -41.9 85.15 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 119.172 -1.011 . . . . 0.0 109.25 173.749 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . 0.636 ' OH ' HD11 ' A' ' 4' ' ' LEU . 46.7 t80 -61.16 -49.43 77.25 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.266 -176.151 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.942 HG21 ' CB ' ' A' ' 79' ' ' ALA . 31.0 m -64.18 -42.56 95.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 116.267 -0.424 . . . . 0.0 112.123 -178.821 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.475 ' O ' ' N ' ' B' ' 80' ' ' ALA . 11.7 p -66.18 -39.02 83.24 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 C-N-CA 120.113 -0.635 . . . . 0.0 110.114 178.069 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.911 ' CD2' HD11 ' B' ' 33' ' ' LEU . 57.7 tp -61.48 -49.06 78.31 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.668 -179.456 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.773 HG12 HD23 ' B' ' 37' ' ' LEU . 19.6 m -67.91 -41.98 85.27 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 C-N-CA 119.949 -0.7 . . . . 0.0 110.371 178.596 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.863 ' CB ' HG21 ' A' ' 75' ' ' VAL . . . -62.71 -42.55 99.7 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.86 176.576 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . 0.475 ' N ' ' O ' ' B' ' 76' ' ' VAL . . . -56.33 -48.56 76.5 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.632 -178.698 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.856 ' CD1' HD11 ' B' ' 37' ' ' LEU . 88.3 mt -64.05 -42.23 97.1 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.373 174.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.75 HG22 ' OD1' ' B' ' 86' ' ' ASN . 15.8 m -62.52 -49.11 76.64 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.663 -177.683 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.504 ' HB ' ' HB3' ' A' ' 71' ' ' PHE . 14.7 p -61.51 -45.87 97.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.749 0.309 . . . . 0.0 111.246 -179.528 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -58.55 -50.95 71.9 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 120.568 -0.453 . . . . 0.0 110.013 -179.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 85' ' ' MET . . . . . 0.406 ' SD ' ' HD1' ' B' ' 44' ' ' PHE . 0.0 OUTLIER -66.41 -44.59 82.57 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.801 178.542 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.75 ' OD1' HG22 ' B' ' 82' ' ' THR . 6.6 m120 -63.67 -39.29 93.95 Favored 'General case' 0 CA--C 1.508 -0.66 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.986 -179.115 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -49.63 -39.58 36.43 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.165 177.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -62.08 -41.89 98.64 Favored 'General case' 0 C--O 1.217 -0.643 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.082 175.389 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 . . . . . 0 C--N 1.322 -0.596 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.345 175.863 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.45 ' C ' ' H ' ' A' ' 4' ' ' LEU . 7.9 m . . . . . 0 C--O 1.238 0.475 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.463 ' H ' ' CD ' ' A' ' 3' ' ' GLU . 1.9 mp0 -51.26 -17.39 0.69 Allowed 'General case' 0 C--O 1.237 0.44 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 178.017 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.45 ' H ' ' C ' ' A' ' 2' ' ' SER . 0.1 OUTLIER -56.91 -45.59 82.57 Favored 'General case' 0 N--CA 1.435 -1.193 0 CA-C-N 114.68 -1.146 . . . . 0.0 109.118 -175.088 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.464 ' HG2' ' CD2' ' B' ' 44' ' ' PHE . 98.6 mt-10 -65.3 -42.34 93.15 Favored 'General case' 0 N--CA 1.445 -0.675 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.963 179.029 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.9 m -62.22 -46.04 90.64 Favored 'General case' 0 C--O 1.244 0.777 0 CA-C-O 121.092 0.472 . . . . 0.0 110.051 175.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.45 -49.48 76.11 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.817 179.217 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.452 ' HE1' ' HB2' ' B' ' 79' ' ' ALA . 96.9 mmm -65.36 -41.04 94.23 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.095 179.496 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -64.65 -35.68 81.82 Favored 'General case' 0 CA--C 1.513 -0.468 0 C-N-CA 119.888 -0.725 . . . . 0.0 111.283 177.176 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 18.6 m -58.33 -43.38 88.21 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 176.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.546 HD11 ' SD ' ' B' ' 8' ' ' MET . 83.8 mt -62.91 -40.77 98.6 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.334 174.171 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.63 HD13 ' CD1' ' A' ' 71' ' ' PHE . 20.9 mm -62.36 -44.23 98.99 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 CA-C-O 121.091 0.472 . . . . 0.0 109.82 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 43.2 m-80 -62.17 -41.9 98.75 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.532 -177.355 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.955 HG21 HD21 ' B' ' 4' ' ' LEU . 91.2 t -63.26 -42.87 97.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 174.802 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -58.35 -47.93 82.2 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.487 178.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -60.86 -43.32 98.51 Favored 'General case' 0 CA--C 1.506 -0.739 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.422 174.288 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.29 -48.76 68.08 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.359 -176.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.538 ' CD2' HD13 ' A' ' 36' ' ' LEU . 90.6 m-70 -75.74 -31.49 59.62 Favored 'General case' 0 C--N 1.319 -0.759 0 C-N-CA 120.637 -0.425 . . . . 0.0 111.858 176.048 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 70.2 m -52.2 -42.33 63.41 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.642 -177.018 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.29 -28.42 70.88 Favored Glycine 0 CA--C 1.528 0.848 0 N-CA-C 111.491 -0.644 . . . . 0.0 111.491 -179.62 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -64.29 -41.54 96.82 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 -173.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.416 ' OE1' ' N ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -144.52 -53.13 0.31 Allowed 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -177.838 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.416 ' N ' ' OE1' ' A' ' 22' ' ' GLU . . . -59.25 -178.38 1.21 Allowed Glycine 0 CA--C 1.527 0.827 0 CA-C-N 116.25 -0.432 . . . . 0.0 112.889 -173.795 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.417 ' O ' ' C ' ' A' ' 25' ' ' LYS . 26.2 t70 -60.85 163.07 6.06 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.214 -0.493 . . . . 0.0 109.719 177.624 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 24' ' ' ASP . 0.5 OUTLIER -37.45 -41.26 0.43 Allowed 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 120.97 -0.292 . . . . 0.0 110.349 -176.918 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.528 ' O ' ' HG2' ' A' ' 27' ' ' LYS . 10.7 p90 -132.44 90.16 2.75 Favored 'General case' 0 N--CA 1.441 -0.901 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.081 167.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.528 ' HG2' ' O ' ' A' ' 26' ' ' TYR . 2.0 mmmm -165.97 161.7 17.64 Favored 'General case' 0 C--N 1.316 -0.881 0 C-N-CA 125.532 1.533 . . . . 0.0 107.145 170.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.583 HD11 ' HB2' ' A' ' 32' ' ' GLU . 55.6 tp -123.92 131.09 53.52 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.123 175.27 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.1 m -86.92 158.21 19.34 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 176.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.734 ' NZ ' ' HA ' ' A' ' 62' ' ' ASP . 10.3 mmmm -68.97 -7.08 31.93 Favored 'General case' 0 C--N 1.311 -1.092 0 C-N-CA 119.534 -0.866 . . . . 0.0 110.161 -177.433 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 47.3 mttm -64.29 -48.6 75.05 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-O 121.795 0.807 . . . . 0.0 109.139 -177.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.583 ' HB2' HD11 ' A' ' 28' ' ' LEU . 68.2 mm-40 -86.82 -30.87 21.18 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 114.456 -1.247 . . . . 0.0 111.003 -178.817 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.711 HD11 ' CD2' ' A' ' 77' ' ' LEU . 3.2 tm? -59.02 -43.77 91.63 Favored 'General case' 0 C--N 1.313 -0.999 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 -177.249 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -63.51 -42.41 98.48 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.227 -0.589 . . . . 0.0 110.719 177.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.941 ' O ' HG22 ' A' ' 39' ' ' THR . 6.0 mm-40 -67.17 -43.68 81.63 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.748 0.785 . . . . 0.0 108.91 175.765 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.538 HD13 ' CD2' ' A' ' 18' ' ' HIS . 21.4 tp -60.88 -48.33 82.31 Favored 'General case' 0 C--N 1.309 -1.191 0 CA-C-N 114.357 -1.292 . . . . 0.0 112.747 -178.37 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.704 HD21 HD22 ' A' ' 41' ' ' LEU . 2.8 tm? -64.13 -44.93 90.72 Favored 'General case' 0 C--N 1.309 -1.177 0 C-N-CA 120.091 -0.643 . . . . 0.0 111.394 -176.229 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -66.44 -44.87 81.63 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 112.867 0.691 . . . . 0.0 112.867 -178.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.941 HG22 ' O ' ' A' ' 35' ' ' GLU . 0.9 OUTLIER -66.11 -52.65 46.66 Favored 'General case' 0 C--O 1.24 0.574 0 C-N-CA 120.308 -0.557 . . . . 0.0 111.963 -178.126 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.54 ' HG2' HG23 ' A' ' 39' ' ' THR . 42.9 mm-40 -72.39 -35.14 68.34 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 -171.787 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.704 HD22 HD21 ' A' ' 37' ' ' LEU . 11.1 mp -99.88 35.23 2.07 Favored 'General case' 0 CA--C 1.508 -0.646 0 CA-C-O 121.272 0.558 . . . . 0.0 109.704 177.389 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.31 -36.24 70.86 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.947 -176.685 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.54 -42.71 80.18 Favored Glycine 0 C--O 1.241 0.534 0 N-CA-C 111.268 -0.733 . . . . 0.0 111.268 176.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.782 ' HA ' ' SD ' ' A' ' 85' ' ' MET . 54.8 m-85 -69.58 -41.57 75.64 Favored 'General case' 0 CA--C 1.496 -1.123 0 CA-C-O 121.619 0.723 . . . . 0.0 109.419 177.749 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.433 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 48.9 tp -62.01 -44.03 97.58 Favored 'General case' 0 N--CA 1.431 -1.406 0 CA-C-N 114.457 -1.247 . . . . 0.0 110.188 175.276 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -58.72 -45.9 88.57 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.641 176.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.785 ' HB3' ' SD ' ' A' ' 85' ' ' MET . . . -62.76 -36.39 82.91 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.818 -175.207 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -131.0 47.55 2.53 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 -176.006 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.433 ' HG3' ' O ' ' A' ' 45' ' ' LEU . 67.2 mttm -63.19 -39.54 94.95 Favored 'General case' 0 C--O 1.242 0.698 0 C-N-CA 120.12 -0.632 . . . . 0.0 109.868 172.799 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -80.05 -3.94 50.64 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-N 114.581 -1.191 . . . . 0.0 112.428 -173.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.666 ' O ' HG12 ' A' ' 54' ' ' VAL . 8.7 t -88.71 132.54 33.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 -179.74 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.445 ' OD1' ' NZ ' ' A' ' 56' ' ' LYS . 0.3 OUTLIER -59.64 -28.46 67.25 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.796 -179.139 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.517 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -62.69 -38.86 92.06 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.729 -0.669 . . . . 0.0 112.615 -173.783 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.666 HG12 ' O ' ' A' ' 51' ' ' VAL . 9.6 p -57.21 -43.62 82.14 Favored 'Isoleucine or valine' 0 C--O 1.237 0.413 0 C-N-CA 120.661 -0.416 . . . . 0.0 111.041 -174.632 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -59.79 -50.01 75.48 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.829 0.823 . . . . 0.0 109.51 176.004 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.445 ' NZ ' ' OD1' ' A' ' 52' ' ' ASP . 44.6 mttp -65.2 -40.85 94.75 Favored 'General case' 0 C--N 1.306 -1.322 0 CA-C-N 114.249 -1.342 . . . . 0.0 111.325 -176.057 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.561 HG12 HD12 ' A' ' 77' ' ' LEU . 53.0 t -60.87 -47.07 95.01 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.848 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 177.353 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 57.5 ttp -61.48 -42.24 98.48 Favored 'General case' 0 C--N 1.306 -1.291 0 CA-C-N 114.653 -1.158 . . . . 0.0 110.323 174.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.441 ' HD3' ' HA ' ' A' ' 59' ' ' LYS . 0.2 OUTLIER -65.15 -37.54 87.73 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.772 -176.704 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.413 ' O ' ' HB2' ' A' ' 63' ' ' GLU . 90.6 mt-10 -58.46 -35.12 71.67 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.13 0.491 . . . . 0.0 110.295 178.203 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.713 ' HG ' HD22 ' A' ' 77' ' ' LEU . 2.4 mm? -62.66 -35.92 81.2 Favored 'General case' 0 C--N 1.308 -1.225 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.289 176.01 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.734 ' HA ' ' NZ ' ' A' ' 30' ' ' LYS . 94.2 m-20 -69.19 -20.88 63.99 Favored 'General case' 0 C--N 1.313 -0.983 0 C-N-CA 120.689 -0.404 . . . . 0.0 112.005 178.448 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.413 ' HB2' ' O ' ' A' ' 60' ' ' GLU . 95.9 mt-10 -62.58 -69.56 0.25 Allowed 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 175.587 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -67.47 -48.39 67.3 Favored 'General case' 0 CA--C 1.502 -0.885 0 CA-C-O 121.593 0.711 . . . . 0.0 109.73 178.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.489 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . . . -74.22 54.17 2.29 Favored Glycine 0 N--CA 1.434 -1.464 0 N-CA-C 108.961 -1.656 . . . . 0.0 108.961 178.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -63.1 -34.82 78.42 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-O 121.58 0.705 . . . . 0.0 109.138 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -121.99 -62.65 0.22 Allowed Glycine 0 C--N 1.318 -0.442 0 CA-C-N 114.762 -1.108 . . . . 0.0 110.648 179.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.407 ' O ' ' HA2' ' A' ' 65' ' ' GLY . 0.5 OUTLIER -117.64 167.9 10.91 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 110.413 -0.217 . . . . 0.0 110.413 -179.829 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.617 HG23 ' HB2' ' A' ' 73' ' ' GLU . 2.4 p -128.17 133.3 67.31 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 173.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -98.94 -177.12 3.53 Favored 'General case' 0 C--N 1.316 -0.863 0 C-N-CA 120.341 -0.544 . . . . 0.0 110.335 -179.8 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.63 ' CD1' HD13 ' A' ' 12' ' ' ILE . 61.6 t80 -60.93 -44.74 96.79 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-O 121.388 0.613 . . . . 0.0 109.993 179.111 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -60.3 -40.25 89.87 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.159 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.617 ' HB2' HG23 ' A' ' 69' ' ' VAL . 89.9 mt-10 -69.73 -41.06 75.79 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.134 -0.626 . . . . 0.0 110.685 173.481 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.464 ' CE1' HD21 ' A' ' 36' ' ' LEU . 31.4 t80 -60.53 -48.77 80.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.82 -178.738 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.782 HG21 ' CB ' ' B' ' 79' ' ' ALA . 27.6 m -63.06 -44.37 99.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -179.229 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.41 ' O ' ' N ' ' A' ' 80' ' ' ALA . 13.6 p -64.82 -39.27 85.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.571 -178.148 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.713 HD22 ' HG ' ' A' ' 61' ' ' LEU . 47.9 tp -60.8 -48.66 80.77 Favored 'General case' 0 CA--C 1.508 -0.651 0 CA-C-O 121.05 0.452 . . . . 0.0 110.595 -179.171 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.628 HG12 HD23 ' A' ' 37' ' ' LEU . 18.4 m -68.25 -41.59 83.94 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.179 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.614 178.478 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.68 ' CB ' HG21 ' B' ' 75' ' ' VAL . . . -62.78 -40.42 97.25 Favored 'General case' 0 CA--C 1.508 -0.64 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.734 176.738 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.415 ' HA ' ' OE1' ' B' ' 72' ' ' GLN . . . -57.06 -48.72 77.86 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.046 -178.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.571 ' CD1' HD11 ' A' ' 37' ' ' LEU . 94.5 mt -63.55 -40.11 96.14 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 174.135 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.47 ' HA ' ' CE2' ' A' ' 44' ' ' PHE . 19.8 m -61.54 -50.32 73.14 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.209 -178.467 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.488 HG23 ' HH2' ' A' ' 90' ' ' TRP . 10.0 p -61.86 -43.66 97.71 Favored 'Isoleucine or valine' 0 C--O 1.238 0.471 0 C-N-CA 120.26 -0.576 . . . . 0.0 110.22 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.18 -50.9 72.25 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.274 179.199 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.785 ' SD ' ' HB3' ' A' ' 47' ' ' ALA . 34.1 ttp -74.64 -42.46 58.49 Favored 'General case' 0 C--O 1.221 -0.426 0 C-N-CA 120.176 -0.61 . . . . 0.0 111.145 -179.174 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.559 ' OD1' ' NE1' ' A' ' 90' ' ' TRP . 1.8 t-20 -62.77 -33.89 76.09 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 119.877 -0.729 . . . . 0.0 110.544 -173.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.631 ' HA ' ' CD2' ' A' ' 90' ' ' TRP . 0.1 OUTLIER -48.92 -31.93 8.16 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.572 174.758 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.518 ' HB3' ' O ' ' A' ' 85' ' ' MET . 54.1 t80 -58.75 -44.71 90.64 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.873 176.701 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -62.72 -44.26 96.69 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.275 177.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.631 ' CD2' ' HA ' ' A' ' 87' ' ' ASN . 3.2 m0 . . . . . 0 CA--C 1.507 -0.696 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 -175.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 14.6 m . . . . . 0 C--O 1.239 0.524 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -46.59 -26.79 0.96 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.756 0.312 . . . . 0.0 110.727 -178.227 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.955 HD21 HG21 ' A' ' 14' ' ' VAL . 0.7 OUTLIER -60.46 -41.86 94.98 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.666 -178.926 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 -62.61 -40.68 97.71 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 119.387 -0.925 . . . . 0.0 109.556 176.442 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 10.9 m -63.63 -47.53 80.96 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-O 121.467 0.651 . . . . 0.0 109.276 175.117 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.55 -47.34 84.54 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.64 -179.4 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . 0.546 ' SD ' HD11 ' A' ' 11' ' ' LEU . 96.6 mmm -63.39 -40.63 97.74 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.545 -0.462 . . . . 0.0 110.597 179.341 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.33 -37.25 86.5 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 119.63 -0.828 . . . . 0.0 110.685 172.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 8.8 m -58.31 -43.19 88.03 Favored 'General case' 0 C--O 1.237 0.428 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 177.062 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.409 HD21 HD13 ' A' ' 4' ' ' LEU . 98.4 mt -62.22 -41.43 98.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.864 176.459 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.547 HG21 ' OD1' ' A' ' 86' ' ' ASN . 26.4 mm -62.53 -44.14 99.05 Favored 'Isoleucine or valine' 0 C--O 1.236 0.384 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 178.811 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -61.62 -43.61 98.55 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.645 -177.317 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 93.6 t -65.4 -47.31 87.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 174.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -59.26 -49.1 79.14 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.078 -177.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.528 ' CE1' ' HB3' ' B' ' 26' ' ' TYR . 11.1 m-70 -80.78 -15.51 56.23 Favored 'General case' 0 CA--C 1.508 -0.661 0 N-CA-C 113.522 0.934 . . . . 0.0 113.522 -178.361 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.27 -42.57 91.52 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 107.551 -1.277 . . . . 0.0 107.551 174.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.475 ' ND1' ' OE1' ' B' ' 32' ' ' GLU . 87.4 m-70 -73.94 -34.92 64.49 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.608 -1.178 . . . . 0.0 111.785 176.058 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.408 ' OG ' ' HA ' ' B' ' 16' ' ' HIS . 72.2 m -50.3 -37.04 34.4 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-O 120.848 0.356 . . . . 0.0 111.752 -176.492 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.87 -21.66 52.4 Favored Glycine 0 C--N 1.31 -0.884 0 N-CA-C 111.682 -0.567 . . . . 0.0 111.682 -179.192 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -81.57 -72.48 0.43 Allowed 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 114.104 1.15 . . . . 0.0 114.104 -169.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -67.03 -45.15 78.37 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 113.813 -1.54 . . . . 0.0 114.252 -160.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -179.03 -73.93 0.06 OUTLIER Glycine 0 CA--C 1.527 0.788 0 C-N-CA 119.075 -1.536 . . . . 0.0 114.424 -177.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . 0.532 ' HB3' ' HB2' ' B' ' 27' ' ' LYS . 15.4 t70 -59.94 157.45 12.58 Favored 'General case' 0 CA--C 1.507 -0.679 0 O-C-N 122.537 -0.39 . . . . 0.0 111.198 -172.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -62.43 -43.03 99.8 Favored 'General case' 0 CA--C 1.481 -1.7 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 176.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.528 ' HB3' ' CE1' ' B' ' 16' ' ' HIS . 0.0 OUTLIER -139.5 93.09 2.63 Favored 'General case' 0 N--CA 1.427 -1.586 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.447 177.012 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.532 ' HB2' ' HB3' ' B' ' 24' ' ' ASP . 5.8 mmtm -163.71 167.46 21.01 Favored 'General case' 0 CA--C 1.498 -1.038 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.552 173.33 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.406 HD21 ' HA ' ' B' ' 33' ' ' LEU . 48.2 tp -124.69 133.13 53.31 Favored 'General case' 0 C--N 1.292 -1.892 0 N-CA-C 107.173 -1.417 . . . . 0.0 107.173 170.498 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.426 ' HB2' ' HG3' ' B' ' 31' ' ' LYS . 0.7 OUTLIER -101.24 -177.54 3.47 Favored 'General case' 0 C--N 1.307 -1.262 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.03 -176.002 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.531 ' NZ ' ' O ' ' B' ' 62' ' ' ASP . 8.3 mmmm -80.98 0.55 35.1 Favored 'General case' 0 C--N 1.314 -0.942 0 C-N-CA 120.84 -0.344 . . . . 0.0 111.765 -174.202 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.456 ' O ' ' HG2' ' B' ' 35' ' ' GLU . 6.4 mttt -88.61 -62.97 1.37 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 -179.433 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.475 ' OE1' ' ND1' ' B' ' 18' ' ' HIS . 67.1 mm-40 -66.98 -34.43 77.73 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.565 -179.369 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.598 HD13 ' C ' ' B' ' 33' ' ' LEU . 2.3 tm? -58.83 -43.83 90.78 Favored 'General case' 0 C--O 1.238 0.469 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 -178.425 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.418 ' NZ ' ' O ' ' B' ' 30' ' ' LYS . 46.1 mttp -63.37 -42.85 98.88 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 176.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.456 ' HG2' ' O ' ' B' ' 31' ' ' LYS . 80.4 mm-40 -67.75 -42.02 82.44 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.551 -176.721 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.619 HD12 ' C ' ' B' ' 36' ' ' LEU . 0.3 OUTLIER -82.09 -40.28 22.17 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 113.227 0.825 . . . . 0.0 113.227 -173.53 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.765 HD23 HG12 ' B' ' 78' ' ' VAL . 2.4 tm? -60.37 -42.46 95.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.169 0.509 . . . . 0.0 110.002 -178.209 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -59.58 -42.25 92.08 Favored 'General case' 0 C--N 1.312 -1.064 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.453 HG23 ' O ' ' B' ' 35' ' ' GLU . 2.8 p -80.41 -50.13 10.52 Favored 'General case' 0 CA--C 1.506 -0.719 0 C-N-CA 120.044 -0.663 . . . . 0.0 111.083 -178.606 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -58.25 -40.17 81.07 Favored 'General case' 0 N--CA 1.439 -1.013 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.646 -172.253 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.4 HD11 HD12 ' A' ' 4' ' ' LEU . 8.4 mp -107.51 31.52 5.37 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.376 177.006 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 2.6 p -55.29 -37.69 67.64 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.981 -176.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -64.24 -48.14 77.67 Favored Glycine 0 C--O 1.242 0.629 0 N-CA-C 110.561 -1.016 . . . . 0.0 110.561 176.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.496 ' CE2' HG23 ' B' ' 82' ' ' THR . 29.5 m-85 -66.2 -41.41 90.21 Favored 'General case' 0 CA--C 1.503 -0.856 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.408 178.404 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.524 ' O ' HD12 ' B' ' 45' ' ' LEU . 3.0 tp -60.51 -47.42 86.23 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.254 -0.884 . . . . 0.0 110.722 179.702 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -67.69 -43.04 81.07 Favored 'General case' 0 C--N 1.317 -0.807 0 C-N-CA 119.733 -0.787 . . . . 0.0 111.108 176.546 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . 0.405 ' HB3' ' HG3' ' B' ' 85' ' ' MET . . . -59.7 -49.14 78.91 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.711 -177.094 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.469 ' NE2' ' HB ' ' B' ' 54' ' ' VAL . 0.0 OUTLIER -103.9 37.08 2.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.338 0.589 . . . . 0.0 110.585 178.911 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 1.5 tttp -61.97 -42.14 98.8 Favored 'General case' 0 C--N 1.308 -1.239 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.509 -179.031 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -85.43 37.7 0.7 Allowed 'General case' 0 C--O 1.239 0.522 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.284 -179.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . 0.489 ' O ' HG12 ' B' ' 54' ' ' VAL . 54.9 t -118.17 130.27 73.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 120.974 0.416 . . . . 0.0 110.727 -179.236 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -58.06 -39.34 78.24 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.558 179.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.518 ' O ' HG23 ' B' ' 57' ' ' VAL . . . -56.12 -27.46 54.03 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.669 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.489 HG12 ' O ' ' B' ' 51' ' ' VAL . 0.9 OUTLIER -59.46 -41.5 84.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 C-N-CA 119.717 -0.793 . . . . 0.0 110.205 179.774 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.421 ' O ' ' HB3' ' B' ' 59' ' ' LYS . 27.2 t70 -69.09 -57.14 5.81 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-O 121.486 0.66 . . . . 0.0 110.092 175.684 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . 0.428 ' HA ' ' CD ' ' B' ' 59' ' ' LYS . 50.4 mttp -65.2 -39.07 92.33 Favored 'General case' 0 C--N 1.307 -1.249 0 CA-C-N 114.796 -1.093 . . . . 0.0 113.83 -174.203 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.563 HG12 HD12 ' B' ' 77' ' ' LEU . 76.1 t -62.82 -47.68 91.68 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 177.439 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . 0.449 ' O ' ' HB2' ' B' ' 62' ' ' ASP . 66.1 ttp -63.64 -47.02 83.02 Favored 'General case' 0 N--CA 1.431 -1.376 0 CA-C-N 114.873 -1.058 . . . . 0.0 110.939 177.529 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . 0.503 ' HG2' ' N ' ' B' ' 60' ' ' GLU . 1.1 ptmt -71.37 -42.68 68.14 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 -176.553 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . 0.503 ' N ' ' HG2' ' B' ' 59' ' ' LYS . 86.8 mt-10 -65.88 -42.66 90.05 Favored 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 119.513 -0.875 . . . . 0.0 109.838 -179.128 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.455 HD11 HG13 ' B' ' 76' ' ' VAL . 2.3 mm? -64.52 -34.8 79.07 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.283 0.563 . . . . 0.0 109.541 173.552 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.531 ' O ' ' NZ ' ' B' ' 30' ' ' LYS . 23.7 t70 -55.54 -40.0 71.3 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.397 -178.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -64.97 -40.22 94.65 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 -179.283 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . 0.528 ' O ' ' N ' ' B' ' 66' ' ' ASP . 0.2 OUTLIER -61.17 -40.7 94.89 Favored 'General case' 0 CA--C 1.493 -1.241 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 176.717 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . 0.48 ' O ' ' NZ ' ' B' ' 30' ' ' LYS . . . -66.39 57.77 0.18 Allowed Glycine 0 N--CA 1.442 -0.946 0 N-CA-C 109.511 -1.436 . . . . 0.0 109.511 176.126 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.528 ' N ' ' O ' ' B' ' 64' ' ' ASN . 32.3 t70 -50.72 -29.08 10.42 Favored 'General case' 0 CA--C 1.504 -0.826 0 C-N-CA 123.204 0.601 . . . . 0.0 109.961 -178.393 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -169.81 -45.66 0.03 OUTLIER Glycine 0 C--N 1.307 -1.078 0 N-CA-C 108.914 -1.675 . . . . 0.0 108.914 177.535 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -110.66 153.36 25.34 Favored 'General case' 0 N--CA 1.437 -1.103 0 CA-C-N 114.341 -0.929 . . . . 0.0 108.514 174.171 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.4 p -126.05 129.94 72.24 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.231 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 173.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.409 ' CG ' ' N ' ' B' ' 71' ' ' PHE . 0.0 OUTLIER -93.96 177.06 6.11 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.172 -0.611 . . . . 0.0 111.374 -172.66 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.531 ' CD1' HD13 ' B' ' 12' ' ' ILE . 65.3 t80 -61.23 -45.47 94.42 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.624 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.447 ' HG3' HG11 ' A' ' 83' ' ' VAL . 25.6 mt-30 -61.03 -42.94 99.43 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 178.411 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.435 ' O ' HG12 ' B' ' 76' ' ' VAL . 97.9 mt-10 -66.74 -42.09 86.79 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.881 176.575 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . 0.437 ' CE1' HD11 ' B' ' 36' ' ' LEU . 34.7 t80 -61.12 -48.56 81.06 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.826 179.487 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.68 HG21 ' CB ' ' A' ' 79' ' ' ALA . 20.9 m -63.34 -42.49 96.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 119.994 -0.683 . . . . 0.0 111.884 -177.18 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.455 HG13 HD11 ' B' ' 61' ' ' LEU . 15.0 p -64.96 -38.67 83.39 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.717 0 C-N-CA 120.49 -0.484 . . . . 0.0 110.25 -179.038 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.563 HD12 HG12 ' B' ' 57' ' ' VAL . 62.2 tp -61.37 -48.35 81.69 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.505 179.199 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.765 HG12 HD23 ' B' ' 37' ' ' LEU . 21.5 m -69.61 -42.12 80.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 C-N-CA 120.002 -0.679 . . . . 0.0 110.354 177.191 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.782 ' CB ' HG21 ' A' ' 75' ' ' VAL . . . -61.71 -43.55 98.63 Favored 'General case' 0 CA--C 1.507 -0.691 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.95 -179.458 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.34 -48.4 76.85 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.81 -178.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 97.8 mt -63.7 -41.87 98.05 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.725 175.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.496 HG23 ' CE2' ' B' ' 44' ' ' PHE . 18.3 m -61.69 -50.57 71.94 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.789 -178.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 14.6 p -63.76 -43.43 97.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 120.43 -0.508 . . . . 0.0 110.245 178.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.22 -50.99 71.12 Favored 'General case' 0 CA--C 1.515 -0.385 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.056 179.463 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 85' ' ' MET . . . . . 0.464 ' SD ' ' HD1' ' B' ' 44' ' ' PHE . 0.0 OUTLIER -68.27 -48.19 65.69 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.979 179.098 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.418 ' HB2' ' O ' ' B' ' 82' ' ' THR . 1.8 t-20 -63.89 -39.01 93.18 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.297 -176.713 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -48.87 -33.85 11.45 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.895 177.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -58.16 -44.85 88.14 Favored 'General case' 0 C--O 1.217 -0.611 0 C-N-CA 120.347 -0.541 . . . . 0.0 109.83 177.433 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 . . . . . 0 C--N 1.318 -0.765 0 C-N-CA 120.379 -0.529 . . . . 0.0 110.41 176.642 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 C--O 1.238 0.466 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -59.73 -47.19 86.63 Favored 'General case' 0 CA--C 1.502 -0.869 0 C-N-CA 120.534 -0.467 . . . . 0.0 110.439 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.817 HD21 HG21 ' B' ' 14' ' ' VAL . 2.4 mm? -62.21 -43.48 98.72 Favored 'General case' 0 C--N 1.306 -1.323 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 -179.398 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.404 ' O ' ' HG3' ' A' ' 9' ' ' GLU . 67.5 mt-10 -64.85 -47.43 77.98 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.245 177.722 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.471 ' O ' ' N ' ' A' ' 10' ' ' THR . 11.7 m -61.09 -43.66 98.55 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.96 176.603 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.67 -48.62 74.74 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 176.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.48 ' HG2' ' O ' ' A' ' 4' ' ' LEU . 97.1 mmm -64.45 -41.52 96.49 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.766 177.118 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.404 ' HG3' ' O ' ' A' ' 5' ' ' GLU . 99.3 mt-10 -63.07 -36.58 84.07 Favored 'General case' 0 C--O 1.24 0.592 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 177.506 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.471 ' N ' ' O ' ' A' ' 6' ' ' THR . 11.7 m -59.39 -45.46 91.41 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 176.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.819 HD23 HD22 ' B' ' 4' ' ' LEU . 91.5 mt -62.79 -41.0 99.06 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.745 176.181 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.531 HD13 ' CD1' ' A' ' 71' ' ' PHE . 23.5 mm -62.08 -44.03 98.48 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.631 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.022 178.273 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -59.76 -44.41 93.87 Favored 'General case' 0 C--N 1.317 -0.845 0 C-N-CA 120.13 -0.628 . . . . 0.0 109.916 -177.375 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.907 HG21 HD11 ' B' ' 4' ' ' LEU . 76.6 t -64.64 -49.16 81.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 C-N-CA 120.458 -0.497 . . . . 0.0 110.475 175.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -59.88 -47.6 85.11 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.534 0.683 . . . . 0.0 109.793 179.282 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -63.5 -45.84 88.83 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 114.99 -1.005 . . . . 0.0 110.105 -179.484 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.31 -50.03 74.23 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.39 179.319 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 -68.17 -36.21 79.26 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 120.515 -0.474 . . . . 0.0 111.073 178.361 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.3 m -54.53 -42.6 71.07 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 108.463 -0.939 . . . . 0.0 108.463 173.27 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.54 -36.94 92.51 Favored Glycine 0 N--CA 1.445 -0.727 0 N-CA-C 110.743 -0.943 . . . . 0.0 110.743 178.416 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -63.23 -42.12 99.2 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -175.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.635 ' CD ' ' H ' ' A' ' 29' ' ' SER . 0.2 OUTLIER -96.49 -70.04 0.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.066 -0.654 . . . . 0.0 112.395 -174.929 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -172.25 175.53 45.45 Favored Glycine 0 C--N 1.32 -0.33 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 -179.619 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.8 t70 64.95 147.94 0.03 OUTLIER 'General case' 0 CA--C 1.512 -0.489 0 C-N-CA 122.917 0.487 . . . . 0.0 110.262 -176.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.453 ' HD2' ' CE1' ' A' ' 26' ' ' TYR . 19.4 pttm -61.11 -40.9 95.53 Favored 'General case' 0 C--N 1.31 -1.144 0 C-N-CA 120.51 -0.476 . . . . 0.0 110.395 179.586 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.453 ' CE1' ' HD2' ' A' ' 25' ' ' LYS . 0.1 OUTLIER -152.86 92.63 1.67 Allowed 'General case' 0 C--O 1.242 0.698 0 C-N-CA 120.608 -0.437 . . . . 0.0 111.575 170.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.487 ' NZ ' ' OE1' ' A' ' 68' ' ' GLU . 7.1 mmmm -152.6 153.06 32.61 Favored 'General case' 0 C--N 1.314 -0.969 0 N-CA-C 106.608 -1.627 . . . . 0.0 106.608 166.401 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.521 ' HB3' HG13 ' A' ' 69' ' ' VAL . 46.1 tp -126.53 132.5 51.35 Favored 'General case' 0 C--N 1.306 -1.304 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 -176.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.635 ' H ' ' CD ' ' A' ' 22' ' ' GLU . 50.8 m -84.03 162.08 20.49 Favored 'General case' 0 C--N 1.311 -1.088 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 179.151 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.521 ' NZ ' ' O ' ' A' ' 64' ' ' ASN . 0.2 OUTLIER -71.43 -5.96 36.71 Favored 'General case' 0 C--N 1.309 -1.173 0 C-N-CA 120.229 -0.588 . . . . 0.0 110.572 -177.019 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.51 ' HG3' ' HB2' ' A' ' 29' ' ' SER . 1.4 pttt -75.29 -64.73 1.0 Allowed 'General case' 0 N--CA 1.473 0.723 0 CA-C-O 120.887 0.375 . . . . 0.0 110.104 179.043 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.409 ' HB2' HD11 ' A' ' 28' ' ' LEU . 67.8 mm-40 -61.07 -32.02 71.68 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.304 176.191 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.732 HD21 ' CD2' ' A' ' 77' ' ' LEU . 3.2 tm? -58.91 -49.1 79.09 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.308 -177.37 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.487 ' NZ ' ' O ' ' A' ' 30' ' ' LYS . 6.2 mttp -65.68 -44.7 85.41 Favored 'General case' 0 CA--C 1.512 -0.483 0 C-N-CA 119.757 -0.777 . . . . 0.0 110.657 178.362 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -68.09 -47.73 67.45 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.878 -174.439 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.585 ' C ' HD12 ' A' ' 36' ' ' LEU . 0.4 OUTLIER -69.75 -41.1 75.65 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 179.713 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.641 HD13 ' C ' ' A' ' 37' ' ' LEU . 2.7 tm? -61.74 -47.96 82.89 Favored 'General case' 0 C--O 1.238 0.463 0 C-N-CA 120.249 -0.581 . . . . 0.0 111.106 -176.113 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -65.96 -43.31 88.32 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 119.881 -0.728 . . . . 0.0 109.825 177.417 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 96.1 m -62.36 -50.55 71.13 Favored 'General case' 0 N--CA 1.442 -0.852 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.513 179.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.804 ' HB3' HD12 ' B' ' 4' ' ' LEU . 64.1 mm-40 -70.88 -39.13 73.0 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 120.512 -0.475 . . . . 0.0 112.126 -176.262 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.1 mp -108.7 33.84 3.99 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -177.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 46' ' ' ASP . 67.7 m -52.75 -39.75 62.48 Favored 'General case' 0 C--N 1.319 -0.752 0 C-N-CA 120.217 -0.593 . . . . 0.0 110.758 -177.524 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.21 -48.95 64.48 Favored Glycine 0 CA--C 1.529 0.924 0 N-CA-C 111.75 -0.54 . . . . 0.0 111.75 178.076 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.616 ' CZ ' HG23 ' A' ' 82' ' ' THR . 0.3 OUTLIER -65.47 -42.92 91.76 Favored 'General case' 0 CA--C 1.508 -0.648 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 178.482 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.647 HD12 ' NE2' ' A' ' 48' ' ' GLN . 47.9 tp -62.56 -44.54 96.09 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 114.708 -1.133 . . . . 0.0 111.189 177.166 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.564 ' O ' ' NZ ' ' A' ' 49' ' ' LYS . 22.7 t70 -59.95 -42.6 94.43 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.234 -0.439 . . . . 0.0 112.028 -178.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.63 ' CB ' ' SD ' ' A' ' 85' ' ' MET . . . -61.2 -24.05 66.05 Favored 'General case' 0 C--N 1.311 -1.068 0 N-CA-C 112.659 0.615 . . . . 0.0 112.659 -174.569 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.647 ' NE2' HD12 ' A' ' 45' ' ' LEU . 1.9 pp0? -129.36 37.45 4.01 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 -175.47 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.564 ' NZ ' ' O ' ' A' ' 46' ' ' ASP . 37.1 mtmm -61.04 -37.7 83.53 Favored 'General case' 0 C--O 1.237 0.427 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 177.729 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.7 p-10 -84.81 10.54 11.23 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.489 -1.232 . . . . 0.0 111.413 -176.22 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.457 ' HB ' ' HB2' ' A' ' 48' ' ' GLN . 46.1 t -109.64 132.25 58.34 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 CA-C-O 120.673 0.273 . . . . 0.0 110.356 -175.278 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.456 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 25.4 t70 -58.95 -35.47 73.18 Favored 'General case' 0 CA--C 1.504 -0.813 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.762 -178.398 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.851 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -49.28 -27.56 3.92 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.049 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.638 HG23 HE22 ' A' ' 48' ' ' GLN . 1.7 p -58.43 -44.47 88.85 Favored 'Isoleucine or valine' 0 C--O 1.242 0.681 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.079 178.641 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.479 ' O ' ' N ' ' A' ' 59' ' ' LYS . 27.4 t70 -64.19 -45.47 88.18 Favored 'General case' 0 CA--C 1.496 -1.129 0 CA-C-O 121.279 0.562 . . . . 0.0 109.598 174.28 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.456 ' NZ ' ' OD2' ' A' ' 52' ' ' ASP . 6.9 mmtp -62.75 -39.66 94.83 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.574 -174.378 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.851 HG23 ' O ' ' A' ' 53' ' ' ALA . 93.2 t -59.68 -46.83 92.94 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.985 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 176.377 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 15.3 mmm -64.88 -44.15 90.59 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.283 177.108 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 55' ' ' ASP . 1.0 OUTLIER -66.2 -43.29 87.2 Favored 'General case' 0 N--CA 1.443 -0.803 0 CA-C-N 114.641 -1.163 . . . . 0.0 111.621 -173.678 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -57.24 -43.24 82.74 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 177.426 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.967 ' HG ' HD13 ' A' ' 77' ' ' LEU . 1.1 mm? -64.73 -40.01 94.6 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.89 172.167 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.468 ' O ' ' N ' ' A' ' 65' ' ' GLY . 24.7 t70 -64.8 -34.64 78.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.95 -176.571 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -54.14 -38.12 65.14 Favored 'General case' 0 CA--C 1.503 -0.858 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 178.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.521 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . 12.9 t-20 -102.64 35.99 2.31 Favored 'General case' 0 N--CA 1.438 -1.026 0 CA-C-N 115.045 -0.979 . . . . 0.0 109.197 173.059 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.48 ' HA2' ' HG3' ' A' ' 30' ' ' LYS . . . -83.91 7.48 70.28 Favored Glycine 0 C--N 1.319 -0.366 0 N-CA-C 108.623 -1.791 . . . . 0.0 108.623 176.323 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -57.55 -44.71 85.42 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.581 -0.809 . . . . 0.0 110.611 -177.095 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -140.0 -75.11 0.05 OUTLIER Glycine 0 C--O 1.239 0.433 0 N-CA-C 111.6 -0.6 . . . . 0.0 111.6 -179.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.487 ' OE1' ' NZ ' ' A' ' 27' ' ' LYS . 3.5 mp0 -122.78 -178.6 3.98 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.434 0.635 . . . . 0.0 111.557 -176.228 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.589 HG23 ' CB ' ' A' ' 73' ' ' GLU . 1.6 p -128.23 131.89 68.81 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.217 0 N-CA-C 107.507 -1.294 . . . . 0.0 107.507 171.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.85 179.91 5.32 Favored 'General case' 0 C--N 1.318 -0.802 0 C-N-CA 120.294 -0.563 . . . . 0.0 110.627 -178.557 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.531 ' CD1' HD13 ' A' ' 12' ' ' ILE . 40.8 t80 -61.83 -44.09 97.54 Favored 'General case' 0 C--N 1.308 -1.203 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.885 179.651 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.416 ' O ' HG22 ' A' ' 75' ' ' VAL . 78.9 mt-30 -58.22 -44.24 88.09 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 120.285 -0.566 . . . . 0.0 110.691 177.489 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.589 ' CB ' HG23 ' A' ' 69' ' ' VAL . 87.1 mt-10 -65.71 -40.68 92.48 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.295 0.569 . . . . 0.0 109.922 175.312 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -60.74 -47.82 84.56 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.178 -179.234 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.589 HG11 ' HB2' ' B' ' 79' ' ' ALA . 21.1 m -64.03 -43.15 97.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 C-N-CA 119.854 -0.738 . . . . 0.0 111.548 -179.687 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.462 HG12 ' HA ' ' A' ' 73' ' ' GLU . 11.3 p -65.38 -34.35 69.88 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.451 0 C-N-CA 119.857 -0.737 . . . . 0.0 109.948 178.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.967 HD13 ' HG ' ' A' ' 61' ' ' LEU . 51.0 tp -60.78 -49.34 77.88 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 178.193 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.512 HG12 HD23 ' A' ' 37' ' ' LEU . 31.8 m -71.54 -41.52 72.28 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.64 0 C-N-CA 120.184 -0.607 . . . . 0.0 111.033 176.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.634 ' CB ' HG21 ' B' ' 75' ' ' VAL . . . -63.11 -38.67 92.1 Favored 'General case' 0 CA--C 1.506 -0.746 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.874 178.568 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.656 ' HB1' HG22 ' A' ' 57' ' ' VAL . . . -57.88 -47.54 82.46 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 -179.404 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.702 ' HG ' HG11 ' A' ' 57' ' ' VAL . 87.5 mt -62.8 -42.55 99.76 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 121.249 0.547 . . . . 0.0 109.58 173.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.616 HG23 ' CZ ' ' A' ' 44' ' ' PHE . 10.9 m -62.27 -50.44 71.67 Favored 'General case' 0 N--CA 1.445 -0.725 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.721 -177.107 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.446 HG11 ' HG3' ' B' ' 72' ' ' GLN . 11.7 p -63.9 -44.13 97.95 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.335 0 C-N-CA 120.039 -0.664 . . . . 0.0 109.908 178.413 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.84 -53.51 57.39 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.998 -179.097 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.63 ' SD ' ' CB ' ' A' ' 47' ' ' ALA . 16.5 ttp -67.16 -43.93 81.03 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 119.498 -0.881 . . . . 0.0 110.159 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.609 ' ND2' HG13 ' B' ' 12' ' ' ILE . 83.5 m-20 -62.9 -35.37 79.81 Favored 'General case' 0 CA--C 1.502 -0.892 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.076 -178.253 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -45.77 -39.22 7.96 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 176.474 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -63.6 -39.38 94.23 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.761 179.274 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -56.58 -46.57 80.71 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 121.256 0.55 . . . . 0.0 109.891 -178.459 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 23.2 m95 . . . . . 0 C--N 1.302 -1.472 0 CA-C-N 115.227 -0.897 . . . . 0.0 112.518 -173.031 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 40' ' ' GLU . 6.1 m . . . . . 0 C--O 1.24 0.586 0 CA-C-O 120.512 0.196 . . . . 0.0 111.505 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -49.04 -17.85 0.24 Allowed 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.631 176.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.907 HD11 HG21 ' A' ' 14' ' ' VAL . 73.0 mt -60.52 -41.08 93.68 Favored 'General case' 0 N--CA 1.435 -1.216 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 -177.511 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . 0.416 ' HG2' ' HD2' ' A' ' 44' ' ' PHE . 96.1 mt-10 -61.82 -43.09 99.54 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 119.503 -0.879 . . . . 0.0 108.963 178.086 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . 0.409 ' O ' ' N ' ' B' ' 10' ' ' THR . 6.8 m -62.62 -45.27 93.64 Favored 'General case' 0 N--CA 1.443 -0.8 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 175.782 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.07 -46.3 88.62 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.02 178.361 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . 0.616 ' SD ' HD11 ' A' ' 11' ' ' LEU . 94.0 mmm -63.29 -41.7 99.01 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.372 -0.531 . . . . 0.0 110.181 178.534 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -62.12 -37.27 84.51 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.358 173.51 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.409 ' N ' ' O ' ' B' ' 6' ' ' THR . 7.5 m -60.79 -43.66 97.81 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.428 -0.952 . . . . 0.0 108.428 176.723 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.69 HD23 HD13 ' A' ' 4' ' ' LEU . 82.7 mt -62.58 -41.5 98.97 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.949 174.214 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.609 HG13 ' ND2' ' A' ' 86' ' ' ASN . 14.7 mm -62.3 -43.86 98.52 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.661 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.384 -178.688 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -60.32 -44.78 95.15 Favored 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 120.183 -0.607 . . . . 0.0 110.726 -175.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.817 HG21 HD21 ' A' ' 4' ' ' LEU . 89.3 t -65.0 -48.19 85.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 C-N-CA 120.521 -0.472 . . . . 0.0 110.573 176.41 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.538 ' CE1' ' HB2' ' B' ' 28' ' ' LEU . 82.5 t80 -60.68 -47.94 83.99 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.444 0.64 . . . . 0.0 110.04 178.453 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.537 ' ND1' ' O ' ' B' ' 25' ' ' LYS . 6.2 t60 -62.71 -43.72 98.08 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-N 115.142 -0.936 . . . . 0.0 109.507 179.576 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.481 ' O ' ' HG2' ' B' ' 21' ' ' LYS . . . -60.27 -51.17 70.7 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.366 175.457 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.443 ' HA ' ' CG ' ' B' ' 21' ' ' LYS . 72.3 m-70 -65.44 -34.93 79.45 Favored 'General case' 0 CA--C 1.503 -0.859 0 C-N-CA 120.663 -0.415 . . . . 0.0 111.524 177.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.476 ' HA ' ' O ' ' B' ' 27' ' ' LYS . 43.8 m -56.62 -41.33 76.91 Favored 'General case' 0 N--CA 1.447 -0.588 0 N-CA-C 107.861 -1.163 . . . . 0.0 107.861 173.546 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.72 -41.18 99.04 Favored Glycine 0 N--CA 1.442 -0.901 0 N-CA-C 110.015 -1.234 . . . . 0.0 110.015 174.092 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . 0.481 ' HG2' ' O ' ' B' ' 17' ' ' ALA . 75.6 mmtt -63.27 -43.2 98.61 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 179.577 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -67.0 -41.48 86.63 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.816 176.28 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 122.64 28.14 1.48 Allowed Glycine 0 CA--C 1.523 0.556 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.712 176.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -133.08 158.17 43.44 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-N 117.075 0.438 . . . . 0.0 111.258 179.143 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.556 ' H ' ' HD3' ' B' ' 25' ' ' LYS . 0.2 OUTLIER -64.58 -46.92 80.66 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 175.434 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.462 ' H ' ' HG2' ' B' ' 25' ' ' LYS . 8.3 p90 -155.16 91.6 1.36 Allowed 'General case' 0 C--O 1.241 0.614 0 CA-C-O 121.325 0.583 . . . . 0.0 111.563 169.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.476 ' O ' ' HA ' ' B' ' 19' ' ' SER . 7.4 mmmm -158.29 153.5 25.61 Favored 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 105.746 -1.946 . . . . 0.0 105.746 167.705 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.538 ' HB2' ' CE1' ' B' ' 15' ' ' PHE . 50.2 tp -129.49 128.8 43.61 Favored 'General case' 0 C--N 1.301 -1.521 0 C-N-CA 119.961 -0.696 . . . . 0.0 110.712 179.542 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 8.2 p -83.71 165.65 18.73 Favored 'General case' 0 C--N 1.308 -1.214 0 CA-C-O 121.003 0.43 . . . . 0.0 111.289 178.337 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.46 ' HZ3' ' HA2' ' B' ' 65' ' ' GLY . 0.8 OUTLIER -73.19 -4.13 30.99 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.371 -176.223 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.483 ' H ' ' HG3' ' B' ' 31' ' ' LYS . 0.0 OUTLIER -82.65 -68.06 0.73 Allowed 'General case' 0 N--CA 1.474 0.745 0 CA-C-O 121.454 0.645 . . . . 0.0 110.013 177.342 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.439 ' HB2' HD11 ' B' ' 28' ' ' LEU . 74.1 mm-40 -56.12 -38.41 70.74 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.008 -0.996 . . . . 0.0 110.176 -179.688 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.931 HD21 HD23 ' B' ' 77' ' ' LEU . 2.4 tm? -59.76 -45.29 92.71 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.31 -174.507 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 49.3 mttp -63.7 -43.89 95.28 Favored 'General case' 0 C--N 1.318 -0.774 0 C-N-CA 119.59 -0.844 . . . . 0.0 109.591 -178.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.461 ' O ' ' OG1' ' B' ' 39' ' ' THR . 68.1 mt-10 -65.53 -46.07 81.02 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.256 -0.884 . . . . 0.0 109.123 179.554 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.785 HD21 ' CE1' ' B' ' 74' ' ' TYR . 2.6 tp -61.73 -49.58 75.88 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 115.34 -0.846 . . . . 0.0 111.667 176.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.824 HD21 HD12 ' B' ' 81' ' ' LEU . 2.6 tm? -63.12 -46.22 88.31 Favored 'General case' 0 C--N 1.317 -0.824 0 C-N-CA 120.808 -0.357 . . . . 0.0 111.384 -176.385 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -66.3 -40.9 90.3 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 119.768 -0.773 . . . . 0.0 110.505 177.406 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.461 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 72.4 m -64.43 -54.6 30.09 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.699 -0.682 . . . . 0.0 112.673 -177.752 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -70.64 -43.18 69.75 Favored 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 112.478 0.547 . . . . 0.0 112.478 -176.208 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.417 ' HB3' ' HB2' ' B' ' 44' ' ' PHE . 9.4 mp -102.01 35.0 2.49 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.488 -178.108 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.56 -37.85 71.12 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.926 -177.422 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.07 -46.56 64.95 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.676 -0.969 . . . . 0.0 110.676 176.312 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.643 ' HA ' ' SD ' ' B' ' 85' ' ' MET . 51.4 m-85 -63.57 -45.53 90.04 Favored 'General case' 0 CA--C 1.509 -0.615 0 CA-C-O 121.249 0.547 . . . . 0.0 110.161 177.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.498 ' O ' HD12 ' B' ' 45' ' ' LEU . 3.5 tp -61.59 -49.28 77.26 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.912 179.8 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -64.17 -43.26 95.66 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.373 -178.118 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.59 -46.62 89.08 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.072 -175.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.27 38.19 2.63 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 -174.607 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.432 ' HG3' ' O ' ' B' ' 45' ' ' LEU . 30.0 mtmt -63.01 -39.31 94.38 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 175.297 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -82.35 -1.78 50.82 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 113.925 -1.488 . . . . 0.0 110.712 -169.393 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 16.8 t -90.65 133.05 33.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.76 -0.654 . . . . 0.0 109.716 179.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.459 ' OD2' ' NZ ' ' B' ' 56' ' ' LYS . 32.0 t70 -57.04 -38.02 72.59 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 121.0 0.429 . . . . 0.0 111.089 -177.249 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.765 ' O ' HG23 ' B' ' 57' ' ' VAL . . . -53.34 -26.33 18.6 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.717 -179.217 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.526 ' O ' ' HG2' ' B' ' 58' ' ' MET . 0.8 OUTLIER -58.76 -45.28 91.3 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 C-N-CA 120.224 -0.59 . . . . 0.0 109.752 179.256 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.51 ' O ' ' HB2' ' B' ' 59' ' ' LYS . 34.2 t70 -61.19 -46.46 90.4 Favored 'General case' 0 CA--C 1.489 -1.381 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 174.337 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . 0.459 ' NZ ' ' OD2' ' B' ' 52' ' ' ASP . 34.6 mmtm -61.41 -39.7 91.72 Favored 'General case' 0 N--CA 1.435 -1.195 0 CA-C-N 114.848 -1.069 . . . . 0.0 109.226 -175.398 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.779 HG11 ' HG ' ' B' ' 81' ' ' LEU . 72.3 t -61.06 -48.72 87.77 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.739 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.01 178.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . 0.544 ' O ' ' N ' ' B' ' 62' ' ' ASP . 9.3 ptm -68.12 -37.36 81.02 Favored 'General case' 0 CA--C 1.518 -0.273 0 C-N-CA 120.192 -0.603 . . . . 0.0 109.944 175.462 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . 0.51 ' HB2' ' O ' ' B' ' 55' ' ' ASP . 3.2 tptm -59.89 -42.88 94.78 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.545 -178.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 74.2 tt0 -61.6 -41.28 97.22 Favored 'General case' 0 C--O 1.241 0.609 0 N-CA-C 108.852 -0.795 . . . . 0.0 108.852 176.59 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.789 ' HG ' HD13 ' B' ' 77' ' ' LEU . 2.1 mm? -65.91 -33.37 75.67 Favored 'General case' 0 C--O 1.242 0.701 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.585 172.699 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.544 ' N ' ' O ' ' B' ' 58' ' ' MET . 34.1 t70 -61.67 -38.99 89.84 Favored 'General case' 0 CA--C 1.513 -0.474 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.693 178.144 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -62.59 -42.84 99.8 Favored 'General case' 0 CA--C 1.505 -0.766 0 N-CA-C 107.124 -1.436 . . . . 0.0 107.124 174.052 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . 0.494 ' HB3' ' O ' ' B' ' 61' ' ' LEU . 24.6 t-20 -62.43 -7.1 3.95 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 114.103 -1.408 . . . . 0.0 110.114 174.77 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . 0.46 ' HA2' ' HZ3' ' B' ' 30' ' ' LYS . . . -69.48 9.16 2.6 Favored Glycine 0 CA--C 1.522 0.498 0 N-CA-C 110.206 -1.158 . . . . 0.0 110.206 174.357 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.481 ' H ' ' C ' ' B' ' 64' ' ' ASN . 29.3 t70 -59.4 -40.98 88.34 Favored 'General case' 0 CA--C 1.513 -0.455 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 177.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -147.93 -82.11 0.04 OUTLIER Glycine 0 C--N 1.32 -0.319 0 N-CA-C 110.207 -1.157 . . . . 0.0 110.207 179.038 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.462 ' OE1' ' NZ ' ' B' ' 27' ' ' LYS . 98.3 mt-10 -138.17 173.71 11.33 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 123.094 0.558 . . . . 0.0 109.986 179.781 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.492 HG13 ' HB3' ' B' ' 28' ' ' LEU . 0.5 OUTLIER -106.8 124.79 62.67 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.794 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 173.099 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.598 ' CG ' ' N ' ' B' ' 71' ' ' PHE . 0.0 OUTLIER -93.36 178.75 5.62 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.208 -178.801 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.598 ' N ' ' CG ' ' B' ' 70' ' ' ASP . 65.2 t80 -60.53 -45.45 93.8 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.708 -0.397 . . . . 0.0 111.025 -176.693 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.557 HE21 ' HB2' ' A' ' 80' ' ' ALA . 80.5 mt-30 -60.42 -40.87 92.56 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 177.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.49 ' O ' HG22 ' B' ' 76' ' ' VAL . 94.3 mt-10 -68.13 -38.96 82.78 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 114.742 -1.117 . . . . 0.0 110.034 178.19 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . 0.785 ' CE1' HD21 ' B' ' 36' ' ' LEU . 25.7 t80 -61.83 -45.96 91.57 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.79 -0.641 . . . . 0.0 112.066 177.347 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.634 HG21 ' CB ' ' A' ' 79' ' ' ALA . 25.6 m -64.48 -40.2 88.22 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 C-N-CA 120.146 -0.622 . . . . 0.0 111.694 -176.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.539 ' O ' ' N ' ' B' ' 80' ' ' ALA . 34.7 m -64.44 -38.15 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.787 0 C-N-CA 120.124 -0.63 . . . . 0.0 111.127 179.694 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.931 HD23 HD21 ' B' ' 33' ' ' LEU . 49.1 tp -60.96 -48.93 79.55 Favored 'General case' 0 CA--C 1.511 -0.528 0 C-N-CA 120.378 -0.529 . . . . 0.0 110.661 179.359 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.632 HG12 HD23 ' B' ' 37' ' ' LEU . 32.7 m -68.9 -41.63 82.11 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.956 0 C-N-CA 119.938 -0.705 . . . . 0.0 110.607 178.151 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.589 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -61.96 -39.22 91.41 Favored 'General case' 0 CA--C 1.503 -0.832 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.014 176.617 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . 0.636 ' HB3' HG13 ' B' ' 57' ' ' VAL . . . -56.31 -49.24 74.87 Favored 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.264 -177.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.824 HD12 HD21 ' B' ' 37' ' ' LEU . 85.7 mt -62.95 -41.98 99.67 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-O 121.404 0.621 . . . . 0.0 109.347 174.252 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.828 HG22 ' OD1' ' B' ' 86' ' ' ASN . 8.2 m -62.15 -50.71 70.76 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.525 -177.45 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 12.0 p -63.03 -43.59 99.13 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.47 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -58.4 -50.88 72.09 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.159 177.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 85' ' ' MET . . . . . 0.643 ' SD ' ' HA ' ' B' ' 44' ' ' PHE . 27.1 ttt -68.77 -39.94 79.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.769 178.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.828 ' OD1' HG22 ' B' ' 82' ' ' THR . 5.6 m120 -56.52 -31.11 63.8 Favored 'General case' 0 CA--C 1.501 -0.94 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.541 -177.567 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -61.09 -41.18 96.19 Favored 'General case' 0 C--N 1.306 -1.319 0 C-N-CA 119.699 -0.801 . . . . 0.0 108.965 176.427 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -70.72 -42.17 70.94 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.948 175.681 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . 0.496 ' HB2' ' O ' ' B' ' 86' ' ' ASN . 1.3 m-85 . . . . . 0 N--CA 1.487 1.379 0 C-N-CA 123.645 0.778 . . . . 0.0 112.874 -175.017 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.403 ' C ' ' N ' ' A' ' 4' ' ' LEU . 4.7 m . . . . . 0 N--CA 1.441 -0.881 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.521 ' H ' ' CD ' ' A' ' 3' ' ' GLU . 56.0 mp0 -53.7 -23.82 12.71 Favored 'General case' 0 C--N 1.315 -0.925 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 175.741 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.899 HD23 ' CB ' ' B' ' 40' ' ' GLU . 2.3 tp -59.89 -46.68 88.55 Favored 'General case' 0 N--CA 1.435 -1.181 0 CA-C-N 114.407 -1.269 . . . . 0.0 110.252 -178.696 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -67.76 -45.06 76.01 Favored 'General case' 0 CA--C 1.515 -0.368 0 C-N-CA 119.467 -0.893 . . . . 0.0 109.801 177.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.7 m -64.24 -44.64 91.22 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.618 -179.4 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.413 ' N ' ' O ' ' A' ' 3' ' ' GLU . . . -57.36 -42.71 82.59 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-O 120.907 0.384 . . . . 0.0 110.085 -178.68 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.735 ' SD ' HD11 ' B' ' 11' ' ' LEU . 97.8 mmm -63.12 -42.45 99.53 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.296 -0.562 . . . . 0.0 110.042 178.619 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.455 ' CD ' HD22 ' B' ' 86' ' ' ASN . 61.5 mm-40 -63.54 -37.27 86.68 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-O 121.192 0.52 . . . . 0.0 110.041 174.312 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.3 m -59.68 -44.21 93.72 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 175.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.42 ' CD2' HD13 ' B' ' 4' ' ' LEU . 50.2 mt -63.52 -39.43 94.41 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.838 175.304 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.846 HG21 ' ND2' ' B' ' 86' ' ' ASN . 20.5 mm -62.02 -43.45 97.65 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.757 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 177.724 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 -59.79 -40.84 89.64 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 120.545 -0.462 . . . . 0.0 110.736 -177.159 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.688 HG21 HD23 ' B' ' 4' ' ' LEU . 97.1 t -62.61 -47.32 93.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 174.685 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.502 ' CE2' ' HB2' ' A' ' 28' ' ' LEU . 48.3 t80 -60.44 -46.85 88.54 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.641 0.734 . . . . 0.0 110.17 177.109 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.485 ' N ' ' O ' ' A' ' 12' ' ' ILE . 1.3 t-80 -58.79 -41.8 87.57 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.026 -0.988 . . . . 0.0 110.505 -176.711 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.09 -49.3 77.42 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.666 179.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.486 ' ND1' ' HB3' ' A' ' 32' ' ' GLU . 93.4 m-70 -66.88 -39.47 87.52 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 112.265 0.469 . . . . 0.0 112.265 -177.512 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 48.8 m -55.59 -41.21 73.05 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 120.062 -0.655 . . . . 0.0 109.591 177.536 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.37 -39.21 97.47 Favored Glycine 0 N--CA 1.453 -0.222 0 N-CA-C 110.443 -1.063 . . . . 0.0 110.443 176.361 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -65.29 -46.37 80.66 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 121.04 -0.264 . . . . 0.0 110.438 179.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.536 ' CD ' ' H ' ' A' ' 29' ' ' SER . 98.8 mt-10 -70.13 -38.79 75.63 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.53 179.696 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 117.54 -9.66 14.72 Favored Glycine 0 N--CA 1.464 0.52 0 C-N-CA 121.371 -0.442 . . . . 0.0 113.436 172.688 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -70.7 155.3 40.93 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 117.71 0.755 . . . . 0.0 110.365 178.415 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.6 mtmt -61.25 -45.6 93.86 Favored 'General case' 0 CA--C 1.487 -1.455 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 178.605 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -159.38 94.53 1.18 Allowed 'General case' 0 N--CA 1.432 -1.328 0 CA-C-N 114.876 -1.057 . . . . 0.0 110.624 173.005 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.558 ' HE2' ' HB2' ' A' ' 68' ' ' GLU . 1.9 mmtm -160.39 158.22 29.17 Favored 'General case' 0 C--N 1.314 -0.946 0 C-N-CA 124.299 1.039 . . . . 0.0 108.53 173.269 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.502 ' HB2' ' CE2' ' A' ' 15' ' ' PHE . 52.7 tp -124.78 134.31 52.83 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 173.328 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.552 ' HB2' ' HG3' ' A' ' 31' ' ' LYS . 4.2 m -105.2 172.87 6.56 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 -179.686 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.532 ' CG ' ' HA2' ' A' ' 65' ' ' GLY . 1.0 OUTLIER -78.47 -5.11 51.59 Favored 'General case' 0 C--N 1.31 -1.114 0 C-N-CA 119.898 -0.721 . . . . 0.0 111.669 -175.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.552 ' HG3' ' HB2' ' A' ' 29' ' ' SER . 0.1 OUTLIER -65.75 -66.37 0.56 Allowed 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 175.452 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.486 ' HB3' ' ND1' ' A' ' 18' ' ' HIS . 72.8 mm-40 -67.47 -42.69 82.59 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 114.9 -1.045 . . . . 0.0 110.781 179.559 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.634 ' C ' HD13 ' A' ' 33' ' ' LEU . 3.0 tm? -60.63 -45.33 94.45 Favored 'General case' 0 CA--C 1.51 -0.574 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.926 -172.545 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 40.5 mtpt -62.67 -40.18 96.27 Favored 'General case' 0 N--CA 1.441 -0.925 0 C-N-CA 119.854 -0.738 . . . . 0.0 110.136 179.087 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.416 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 72.9 mt-10 -68.39 -50.83 50.21 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-O 121.038 0.447 . . . . 0.0 110.541 174.585 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.6 ' C ' HD12 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -62.97 -44.91 94.75 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 -175.422 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.663 HD13 ' C ' ' A' ' 37' ' ' LEU . 3.1 tm? -61.27 -48.02 83.35 Favored 'General case' 0 C--N 1.315 -0.916 0 C-N-CA 119.362 -0.935 . . . . 0.0 110.576 -176.507 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.428 ' HA ' HD22 ' A' ' 45' ' ' LEU . 10.6 pt20 -66.88 -42.8 84.96 Favored 'General case' 0 C--O 1.244 0.773 0 CA-C-O 121.408 0.623 . . . . 0.0 110.605 176.454 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 94.6 m -64.95 -47.9 75.98 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.58 -0.736 . . . . 0.0 112.514 -179.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -79.88 -37.59 34.47 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -175.161 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.57 HD22 HD21 ' A' ' 37' ' ' LEU . 10.3 mp -101.14 31.88 3.47 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-O 120.931 0.396 . . . . 0.0 110.557 -179.592 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.3 m -51.58 -38.98 56.97 Favored 'General case' 0 C--N 1.308 -1.199 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.509 -177.192 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.32 -49.21 53.68 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 111.677 -0.569 . . . . 0.0 111.677 178.012 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.61 ' CZ ' HG23 ' A' ' 82' ' ' THR . 3.6 m-85 -65.18 -42.33 93.73 Favored 'General case' 0 CA--C 1.493 -1.246 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 177.722 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.525 HD13 ' CE ' ' A' ' 58' ' ' MET . 40.6 tp -59.04 -47.25 85.92 Favored 'General case' 0 N--CA 1.43 -1.428 0 CA-C-N 114.965 -1.016 . . . . 0.0 110.82 178.003 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -64.81 -42.68 94.8 Favored 'General case' 0 C--N 1.316 -0.851 0 C-N-CA 120.438 -0.505 . . . . 0.0 111.493 174.392 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.733 ' HB1' ' CE ' ' A' ' 85' ' ' MET . . . -58.67 -48.91 79.45 Favored 'General case' 0 C--O 1.239 0.54 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.509 -176.721 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.536 ' CD ' HG11 ' A' ' 54' ' ' VAL . 0.0 OUTLIER -107.02 15.95 24.73 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -178.2 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.464 ' HB2' ' O ' ' A' ' 45' ' ' LEU . 43.8 tttp -55.7 -41.88 74.45 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 179.396 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -60.71 -25.04 66.13 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 114.479 -1.237 . . . . 0.0 111.573 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.444 ' C ' ' H ' ' A' ' 53' ' ' ALA . 51.6 t -64.97 -22.43 31.4 Favored 'Isoleucine or valine' 0 C--O 1.24 0.567 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 -178.163 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.476 ' OD1' ' NZ ' ' A' ' 56' ' ' LYS . 2.8 t70 64.67 -43.0 0.3 Allowed 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.689 -179.259 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.706 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -52.06 -26.69 11.58 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 179.77 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.536 HG11 ' CD ' ' A' ' 48' ' ' GLN . 27.1 m -60.91 -44.83 98.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 115.311 -0.858 . . . . 0.0 110.984 177.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.444 ' N ' HG23 ' A' ' 54' ' ' VAL . 23.8 t70 -60.04 -45.84 91.49 Favored 'General case' 0 CA--C 1.5 -0.976 0 CA-C-O 122.203 1.001 . . . . 0.0 108.695 174.416 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.476 ' NZ ' ' OD1' ' A' ' 52' ' ' ASP . 43.7 mttp -63.16 -35.08 79.11 Favored 'General case' 0 C--N 1.294 -1.82 0 CA-C-N 113.862 -1.517 . . . . 0.0 110.858 179.424 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 53' ' ' ALA . 92.9 t -62.58 -45.61 98.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 172.666 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.525 ' CE ' HD13 ' A' ' 45' ' ' LEU . 57.8 mtt -61.14 -41.39 96.65 Favored 'General case' 0 CA--C 1.498 -1.023 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 177.538 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.0 tptp -62.82 -39.73 95.22 Favored 'General case' 0 C--N 1.302 -1.465 0 CA-C-N 113.683 -1.599 . . . . 0.0 109.161 179.438 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' A' ' 56' ' ' LYS . 38.2 tp10 -59.64 -45.87 90.7 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 176.312 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.617 ' HG ' HD22 ' A' ' 77' ' ' LEU . 2.3 mm? -64.03 -38.67 91.92 Favored 'General case' 0 C--O 1.245 0.842 0 CA-C-N 115.362 -0.836 . . . . 0.0 110.173 173.083 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' A' ' 58' ' ' MET . 22.2 t70 -60.49 -34.94 74.78 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.056 -176.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.431 ' C ' ' H ' ' A' ' 65' ' ' GLY . 97.8 mt-10 -53.27 -45.29 68.81 Favored 'General case' 0 CA--C 1.506 -0.74 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 178.322 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.515 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . 16.0 t-20 -79.8 37.33 0.35 Allowed 'General case' 0 C--N 1.311 -1.07 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.45 176.03 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.532 ' HA2' ' CG ' ' A' ' 30' ' ' LYS . . . -93.37 -7.47 61.99 Favored Glycine 0 CA--C 1.51 -0.272 0 N-CA-C 108.979 -1.649 . . . . 0.0 108.979 177.547 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -62.77 -42.1 99.53 Favored 'General case' 0 CA--C 1.503 -0.832 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 172.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -114.62 -155.82 11.26 Favored Glycine 0 N--CA 1.437 -1.29 0 CA-C-N 114.465 -1.243 . . . . 0.0 110.362 178.553 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.558 ' HB2' ' HE2' ' A' ' 27' ' ' LYS . 1.1 mp0 -90.65 171.06 9.64 Favored 'General case' 0 C--N 1.308 -1.234 0 C-N-CA 122.397 0.279 . . . . 0.0 110.918 -178.737 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.586 HG23 ' HB2' ' A' ' 73' ' ' GLU . 2.2 p -120.25 128.63 75.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 172.249 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -96.6 -176.94 3.76 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-O 121.131 0.491 . . . . 0.0 110.965 -175.708 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.657 ' O ' HG22 ' A' ' 75' ' ' VAL . 42.2 t80 -61.22 -43.77 98.35 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.414 179.388 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -59.03 -42.32 89.91 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.321 179.617 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.586 ' HB2' HG23 ' A' ' 69' ' ' VAL . 90.6 mt-10 -69.07 -41.15 77.93 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 119.443 -0.903 . . . . 0.0 110.653 171.643 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.478 ' OH ' HD21 ' B' ' 4' ' ' LEU . 47.1 t80 -60.41 -48.49 81.54 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.52 -176.61 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.863 HG21 ' CB ' ' B' ' 79' ' ' ALA . 16.9 m -63.39 -43.99 98.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 C-N-CA 120.453 -0.499 . . . . 0.0 112.139 -179.188 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 14.6 p -65.89 -37.5 80.01 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 C-N-CA 120.172 -0.611 . . . . 0.0 110.41 178.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.617 HD22 ' HG ' ' A' ' 61' ' ' LEU . 47.5 tp -60.29 -48.81 80.15 Favored 'General case' 0 CA--C 1.505 -0.763 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.583 179.02 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.67 HG23 ' SD ' ' B' ' 8' ' ' MET . 29.9 m -69.54 -40.57 79.79 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.962 0 C-N-CA 119.944 -0.702 . . . . 0.0 110.78 176.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.704 ' CB ' HG21 ' B' ' 75' ' ' VAL . . . -63.34 -42.46 98.93 Favored 'General case' 0 CA--C 1.507 -0.676 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.949 179.209 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.05 -48.57 79.72 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.493 0.663 . . . . 0.0 109.313 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.508 HD13 HD11 ' A' ' 37' ' ' LEU . 92.3 mt -63.58 -43.61 96.48 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-N 115.014 -0.994 . . . . 0.0 109.557 177.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.61 HG23 ' CZ ' ' A' ' 44' ' ' PHE . 22.3 m -64.19 -49.11 73.32 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 112.886 0.699 . . . . 0.0 112.886 178.652 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 12.8 p -61.57 -42.43 94.02 Favored 'Isoleucine or valine' 0 C--O 1.24 0.583 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.742 -174.548 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -54.79 -52.03 63.9 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.333 178.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.733 ' CE ' ' HB1' ' A' ' 47' ' ' ALA . 15.3 tpt -68.91 -42.39 76.91 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.605 177.687 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.637 ' OD1' HG21 ' B' ' 12' ' ' ILE . 0.6 OUTLIER -61.71 -32.36 72.57 Favored 'General case' 0 CA--C 1.507 -0.687 0 C-N-CA 119.815 -0.754 . . . . 0.0 111.68 -174.247 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -56.02 -40.62 73.69 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 175.188 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.45 ' HB3' ' O ' ' A' ' 85' ' ' MET . 92.2 t80 -60.0 -45.61 92.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.061 172.591 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 18.7 m-30 -59.22 -43.66 92.31 Favored 'General case' 0 CA--C 1.513 -0.449 0 C-N-CA 120.791 -0.363 . . . . 0.0 110.354 178.529 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.681 ' HZ2' HG23 ' B' ' 12' ' ' ILE . 9.1 m0 . . . . . 0 C--N 1.317 -0.825 0 C-N-CA 120.121 -0.632 . . . . 0.0 109.669 -179.402 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . 0.422 ' C ' ' N ' ' B' ' 4' ' ' LEU . 75.1 m . . . . . 0 CA--C 1.516 -0.353 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . 0.469 ' H ' ' CD ' ' B' ' 3' ' ' GLU . 1.4 mp0 -54.03 -17.73 2.91 Favored 'General case' 0 CA--C 1.516 -0.342 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 174.02 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.688 HD23 HG21 ' A' ' 14' ' ' VAL . 0.2 OUTLIER -59.05 -42.71 90.93 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 114.385 -1.279 . . . . 0.0 108.113 179.525 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -65.67 -44.39 86.4 Favored 'General case' 0 N--CA 1.442 -0.839 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.891 176.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 7.3 m -61.83 -46.0 91.36 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 121.243 0.544 . . . . 0.0 109.599 178.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.75 -45.78 91.16 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.541 176.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . 0.67 ' SD ' HG23 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -62.2 -43.24 99.28 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 177.812 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . 0.446 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 5.5 mm-40 -61.01 -38.95 87.88 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.782 177.036 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.41 HG21 ' HB3' ' A' ' 3' ' ' GLU . 9.8 m -59.66 -44.47 93.55 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 178.629 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.735 HD11 ' SD ' ' A' ' 8' ' ' MET . 0.3 OUTLIER -61.92 -41.45 97.94 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 173.758 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.681 HG23 ' HZ2' ' A' ' 90' ' ' TRP . 18.5 mm -62.47 -43.67 98.54 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.432 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.156 179.587 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 40.0 m-80 -58.62 -44.12 89.88 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.534 -173.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.673 HG21 HD22 ' A' ' 4' ' ' LEU . 94.7 t -64.05 -47.94 88.09 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 C-N-CA 120.054 -0.659 . . . . 0.0 110.324 176.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -59.92 -47.91 83.84 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 177.344 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -61.04 -46.41 90.8 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.962 -178.579 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.98 -48.3 78.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.944 0.402 . . . . 0.0 110.341 178.381 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.423 ' HB3' ' CD1' ' B' ' 28' ' ' LEU . 75.0 m-70 -71.73 -29.3 64.38 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.203 -0.453 . . . . 0.0 112.052 179.497 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.452 ' HA ' ' O ' ' B' ' 27' ' ' LYS . 52.1 m -52.8 -46.22 67.57 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 -174.08 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.08 -16.28 59.62 Favored Glycine 0 CA--C 1.526 0.761 0 C-N-CA 121.007 -0.616 . . . . 0.0 112.095 -177.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -64.11 -40.04 95.36 Favored 'General case' 0 C--O 1.242 0.706 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 -172.477 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.487 ' HG3' ' H ' ' B' ' 23' ' ' GLY . 0.0 OUTLIER -85.63 -69.79 0.64 Allowed 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 113.928 1.085 . . . . 0.0 113.928 -171.682 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . 0.487 ' H ' ' HG3' ' B' ' 22' ' ' GLU . . . -169.35 -52.65 0.03 OUTLIER Glycine 0 CA--C 1.526 0.731 0 N-CA-C 112.09 -0.404 . . . . 0.0 112.09 -177.513 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . 0.402 ' HB3' ' HB2' ' B' ' 27' ' ' LYS . 9.0 t70 -71.8 145.82 48.44 Favored 'General case' 0 CA--C 1.506 -0.728 0 O-C-N 122.387 -0.478 . . . . 0.0 109.956 179.18 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.641 ' NZ ' ' OH ' ' B' ' 26' ' ' TYR . 14.8 mtmm -61.83 -40.71 96.25 Favored 'General case' 0 CA--C 1.489 -1.401 0 C-N-CA 119.587 -0.845 . . . . 0.0 108.88 179.057 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.641 ' OH ' ' NZ ' ' B' ' 25' ' ' LYS . 0.0 OUTLIER -125.22 90.32 3.21 Favored 'General case' 0 N--CA 1.429 -1.494 0 C-N-CA 119.111 -1.035 . . . . 0.0 110.769 179.283 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.497 ' HG2' ' O ' ' B' ' 26' ' ' TYR . 5.5 mmtp -165.55 159.06 16.3 Favored 'General case' 0 CA--C 1.491 -1.29 0 CA-C-N 114.274 -1.33 . . . . 0.0 108.685 168.658 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.571 HD21 HD23 ' B' ' 36' ' ' LEU . 40.9 tp -124.56 128.07 48.37 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 107.574 -1.269 . . . . 0.0 107.574 169.668 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.434 ' HA ' ' O ' ' B' ' 67' ' ' GLY . 0.3 OUTLIER -85.14 159.08 20.22 Favored 'General case' 0 C--N 1.31 -1.121 0 C-N-CA 119.859 -0.736 . . . . 0.0 109.761 -179.734 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.648 ' HG3' ' CA ' ' B' ' 65' ' ' GLY . 31.5 mmtm -74.39 -8.87 57.73 Favored 'General case' 0 CA--C 1.508 -0.672 0 C-N-CA 119.02 -1.072 . . . . 0.0 111.061 -177.643 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 3.4 ptpt -69.05 -47.02 66.41 Favored 'General case' 0 N--CA 1.442 -0.862 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 175.026 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.492 ' O ' ' HB3' ' B' ' 36' ' ' LEU . 69.5 mm-40 -71.33 -37.49 71.72 Favored 'General case' 0 N--CA 1.439 -1.004 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.495 172.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.894 HD11 ' CD2' ' B' ' 77' ' ' LEU . 3.1 tm? -58.27 -47.5 83.4 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.987 -172.633 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -64.39 -43.22 95.13 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 118.882 -1.127 . . . . 0.0 110.699 177.391 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.41 ' O ' ' HG2' ' B' ' 38' ' ' GLN . 61.1 mm-40 -61.36 -48.63 80.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.409 0.624 . . . . 0.0 109.674 178.161 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.842 HD21 ' CE1' ' B' ' 74' ' ' TYR . 1.7 tp -62.9 -52.39 63.25 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-N 115.307 -0.86 . . . . 0.0 112.042 177.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.572 HD23 HG12 ' B' ' 78' ' ' VAL . 2.6 tm? -63.33 -45.01 93.27 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.375 -175.521 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.41 ' HG2' ' O ' ' B' ' 35' ' ' GLU . 12.3 pt20 -65.88 -38.01 87.66 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.169 0.509 . . . . 0.0 110.319 178.261 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.409 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 52.2 m -73.11 -61.0 1.97 Allowed 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.311 -0.859 . . . . 0.0 112.364 -175.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.899 ' CB ' HD23 ' A' ' 4' ' ' LEU . 80.3 mm-40 -69.97 -42.11 73.56 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.176 0.436 . . . . 0.0 112.176 -172.655 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.471 ' HB2' HD22 ' B' ' 37' ' ' LEU . 4.1 mp -99.24 32.88 2.58 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.312 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.61 -35.0 67.77 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.589 -178.628 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -64.13 -50.36 60.84 Favored Glycine 0 N--CA 1.446 -0.652 0 N-CA-C 110.408 -1.077 . . . . 0.0 110.408 176.569 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.657 ' CZ ' HG23 ' B' ' 82' ' ' THR . 46.1 m-85 -62.65 -45.69 91.66 Favored 'General case' 0 CA--C 1.503 -0.837 0 CA-C-O 121.181 0.515 . . . . 0.0 109.762 177.429 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.475 ' O ' HD12 ' B' ' 45' ' ' LEU . 3.1 tp -60.5 -48.85 79.95 Favored 'General case' 0 N--CA 1.436 -1.171 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.947 -179.49 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -65.86 -40.68 91.92 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 112.481 0.548 . . . . 0.0 112.481 176.001 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . 0.612 ' CB ' ' SD ' ' B' ' 85' ' ' MET . . . -59.42 -37.09 77.17 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.829 -0.623 . . . . 0.0 112.61 -171.568 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.482 HE22 ' CG2' ' B' ' 54' ' ' VAL . 0.9 OUTLIER -123.48 37.17 4.47 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 -174.817 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.543 ' HA ' HG11 ' B' ' 54' ' ' VAL . 7.0 mtmp? -62.24 -39.15 91.87 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 107.798 -1.186 . . . . 0.0 107.798 173.651 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -64.38 -23.39 67.27 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 113.919 -1.491 . . . . 0.0 111.151 179.552 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . 0.506 ' C ' ' H ' ' B' ' 53' ' ' ALA . 40.8 t -71.92 -18.4 19.58 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 CA-C-O 120.664 0.269 . . . . 0.0 110.279 -179.689 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 16.1 t70 66.22 -38.34 0.29 Allowed 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.667 -178.378 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.506 ' H ' ' C ' ' B' ' 51' ' ' VAL . . . -53.54 -26.18 20.06 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.551 -179.318 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.543 HG11 ' HA ' ' B' ' 49' ' ' LYS . 7.6 p -58.23 -43.74 86.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 177.37 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.496 ' OD1' ' NZ ' ' B' ' 59' ' ' LYS . 9.7 t70 -59.7 -45.17 92.95 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.081 174.108 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . 0.595 ' N ' ' CD ' ' B' ' 56' ' ' LYS . 6.2 mptt -63.56 -42.77 98.34 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.958 -179.651 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.527 HG12 ' CD1' ' B' ' 77' ' ' LEU . 91.7 t -62.06 -45.5 98.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 176.552 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . 0.531 ' SD ' HD12 ' B' ' 37' ' ' LEU . 14.7 mmm -61.05 -41.46 96.64 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 175.671 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . 0.496 ' NZ ' ' OD1' ' B' ' 55' ' ' ASP . 0.0 OUTLIER -62.88 -43.18 99.49 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 114.561 -1.2 . . . . 0.0 110.525 -179.665 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -60.34 -41.15 93.0 Favored 'General case' 0 C--N 1.31 -1.128 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 -178.109 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.735 ' HG ' HD13 ' B' ' 77' ' ' LEU . 1.2 mm? -62.78 -34.7 77.8 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.353 176.479 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.42 ' HB2' ' O ' ' B' ' 59' ' ' LYS . 39.3 m-20 -60.97 -34.57 74.97 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.506 178.405 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -57.16 -42.2 80.6 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 -179.412 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . 0.468 ' O ' ' NZ ' ' B' ' 30' ' ' LYS . 42.7 t30 -104.82 20.92 17.87 Favored 'General case' 0 C--N 1.309 -1.193 0 N-CA-C 107.906 -1.146 . . . . 0.0 107.906 175.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . 0.648 ' CA ' ' HG3' ' B' ' 30' ' ' LYS . . . -113.64 30.94 6.89 Favored Glycine 0 N--CA 1.437 -1.241 0 CA-C-N 115.004 -0.998 . . . . 0.0 111.586 -169.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -63.46 -34.38 77.64 Favored 'General case' 0 C--N 1.314 -0.963 0 C-N-CA 119.969 -0.692 . . . . 0.0 109.367 176.459 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.545 ' O ' ' N ' ' B' ' 30' ' ' LYS . . . -159.27 -58.67 0.01 OUTLIER Glycine 0 C--O 1.223 -0.574 0 C-N-CA 120.226 -0.987 . . . . 0.0 113.425 -178.601 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.566 ' O ' ' NZ ' ' B' ' 30' ' ' LYS . 46.5 mt-10 -95.95 153.78 17.58 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 -171.422 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.521 HG11 ' HB2' ' B' ' 33' ' ' LEU . 2.4 p -144.4 134.16 19.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 168.518 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -98.34 179.85 4.59 Favored 'General case' 0 C--N 1.32 -0.717 0 C-N-CA 120.399 -0.52 . . . . 0.0 110.014 -179.36 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.62 ' O ' HG13 ' B' ' 75' ' ' VAL . 53.0 t80 -61.85 -44.6 96.49 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.327 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.5 ' O ' HG22 ' B' ' 75' ' ' VAL . 48.4 mt-30 -60.16 -46.16 90.63 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.06 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.567 ' O ' HG12 ' B' ' 76' ' ' VAL . 42.0 tt0 -66.85 -40.18 87.84 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-O 121.669 0.747 . . . . 0.0 109.952 175.105 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . 0.845 ' OH ' HD21 ' A' ' 4' ' ' LEU . 36.6 t80 -60.08 -47.8 84.35 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.524 179.309 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.704 HG21 ' CB ' ' A' ' 79' ' ' ALA . 14.0 m -63.39 -42.32 95.9 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 C-N-CA 119.852 -0.739 . . . . 0.0 111.514 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.567 HG12 ' O ' ' B' ' 73' ' ' GLU . 2.4 p -63.44 -40.89 90.72 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.506 0 C-N-CA 120.353 -0.539 . . . . 0.0 110.818 -178.058 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.894 ' CD2' HD11 ' B' ' 33' ' ' LEU . 44.9 tp -61.06 -50.32 73.79 Favored 'General case' 0 CA--C 1.511 -0.523 0 C-N-CA 120.806 -0.358 . . . . 0.0 111.286 178.81 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.572 HG12 HD23 ' B' ' 37' ' ' LEU . 18.4 m -66.68 -42.14 89.16 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.072 0 C-N-CA 119.899 -0.721 . . . . 0.0 110.14 178.361 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.863 ' CB ' HG21 ' A' ' 75' ' ' VAL . . . -63.04 -42.45 99.75 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.249 178.516 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . 0.441 ' O ' HG12 ' B' ' 83' ' ' VAL . . . -56.35 -49.12 75.3 Favored 'General case' 0 CA--C 1.513 -0.46 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 -179.424 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.456 HD12 HD21 ' B' ' 37' ' ' LEU . 94.4 mt -63.7 -41.75 98.08 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.796 175.332 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.657 HG23 ' CZ ' ' B' ' 44' ' ' PHE . 21.0 m -61.5 -50.11 74.04 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.077 -178.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.441 HG12 ' O ' ' B' ' 80' ' ' ALA . 13.4 p -61.13 -43.75 96.93 Favored 'Isoleucine or valine' 0 C--O 1.237 0.43 0 C-N-CA 120.824 -0.351 . . . . 0.0 111.081 -177.167 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -58.74 -52.8 64.14 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 120.261 -0.576 . . . . 0.0 110.759 179.661 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 85' ' ' MET . . . . . 0.612 ' SD ' ' CB ' ' B' ' 47' ' ' ALA . 33.2 ttp -69.41 -40.19 77.47 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 120.207 -0.597 . . . . 0.0 109.808 178.22 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.846 ' ND2' HG21 ' A' ' 12' ' ' ILE . 20.6 t-20 -60.33 -39.18 86.16 Favored 'General case' 0 CA--C 1.506 -0.729 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.354 -175.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -44.99 -28.74 0.72 Allowed 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.797 -178.325 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -65.09 -37.92 89.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.651 176.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . 0.495 ' N ' ' O ' ' B' ' 86' ' ' ASN . 16.0 m-85 . . . . . 0 N--CA 1.473 0.697 0 CA-C-O 120.91 0.386 . . . . 0.0 111.095 -179.346 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.435 ' C ' ' N ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.242 0.691 0 CA-C-O 121.071 0.462 . . . . 0.0 111.061 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.44 ' H ' ' CD ' ' A' ' 3' ' ' GLU . 1.9 mp0 -51.66 -19.01 1.36 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.012 -0.994 . . . . 0.0 108.555 173.753 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.554 HD23 HG21 ' B' ' 14' ' ' VAL . 0.1 OUTLIER -58.19 -49.41 77.14 Favored 'General case' 0 N--CA 1.442 -0.857 0 CA-C-N 114.959 -1.018 . . . . 0.0 109.289 -175.889 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -67.03 -44.48 80.14 Favored 'General case' 0 N--CA 1.44 -0.948 0 C-N-CA 120.334 -0.546 . . . . 0.0 110.228 -179.532 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.1 m -61.39 -44.88 96.39 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.167 -0.469 . . . . 0.0 109.949 177.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.91 -47.41 77.5 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 178.08 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.637 ' SD ' HD11 ' B' ' 11' ' ' LEU . 92.2 mmm -65.32 -41.32 94.12 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.279 -0.568 . . . . 0.0 110.365 178.231 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -64.34 -37.95 89.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.03 0.443 . . . . 0.0 109.979 177.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 17.0 m -58.1 -44.34 87.6 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 177.305 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.666 HD11 ' SD ' ' B' ' 8' ' ' MET . 81.9 mt -63.02 -40.67 98.45 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.19 174.29 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.535 HD13 ' CD1' ' A' ' 71' ' ' PHE . 21.7 mm -61.78 -43.88 97.94 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.646 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 178.124 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -59.68 -45.76 91.1 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.722 -176.167 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.874 HG21 HD11 ' B' ' 4' ' ' LEU . 82.9 t -65.09 -46.55 90.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.005 0.431 . . . . 0.0 110.186 176.358 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.4 ' CE2' ' HB2' ' A' ' 28' ' ' LEU . 61.7 t80 -59.13 -49.51 77.6 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.667 0.746 . . . . 0.0 109.331 177.467 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.461 ' N ' ' O ' ' A' ' 12' ' ' ILE . 2.2 t60 -66.13 -41.99 89.72 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 114.678 -1.146 . . . . 0.0 111.318 -177.756 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.405 ' O ' ' HD3' ' A' ' 21' ' ' LYS . . . -55.84 -45.96 78.26 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 179.648 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.458 ' O ' ' HB2' ' A' ' 21' ' ' LYS . 72.6 m-70 -69.33 -32.92 72.34 Favored 'General case' 0 CA--C 1.513 -0.453 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.297 177.514 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.466 ' HB3' ' O ' ' A' ' 25' ' ' LYS . 23.2 m -51.38 -37.61 49.04 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 174.575 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.39 -34.23 88.77 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.072 -0.811 . . . . 0.0 111.072 176.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.458 ' HB2' ' O ' ' A' ' 18' ' ' HIS . 1.4 mptp? -61.04 -68.19 0.33 Allowed 'General case' 0 C--O 1.233 0.212 0 CA-C-O 120.772 0.32 . . . . 0.0 110.797 -178.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.49 -46.73 88.78 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.276 -177.364 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 101.69 9.01 44.55 Favored Glycine 0 CA--C 1.533 1.175 0 N-CA-C 115.442 0.937 . . . . 0.0 115.442 169.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -59.13 -51.43 70.03 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-N 119.242 1.521 . . . . 0.0 109.4 177.695 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.514 ' HE2' ' CZ ' ' A' ' 26' ' ' TYR . 20.5 ptmt 160.21 -141.91 0.0 OUTLIER 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 104.431 -2.433 . . . . 0.0 104.431 -178.619 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.514 ' CZ ' ' HE2' ' A' ' 25' ' ' LYS . 18.2 p90 -76.45 92.54 3.41 Favored 'General case' 0 N--CA 1.442 -0.845 0 C-N-CA 117.416 -1.714 . . . . 0.0 109.472 170.633 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.422 ' HA ' ' HD2' ' A' ' 27' ' ' LYS . 3.1 mmmm -156.14 166.62 32.92 Favored 'General case' 0 CA--C 1.495 -1.166 0 N-CA-C 107.544 -1.28 . . . . 0.0 107.544 175.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.426 ' HB3' ' O ' ' A' ' 69' ' ' VAL . 43.7 tp -125.99 125.99 43.59 Favored 'General case' 0 N--CA 1.429 -1.492 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 170.415 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.8 p -90.12 157.61 17.68 Favored 'General case' 0 C--N 1.3 -1.562 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 177.039 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.572 ' HG3' ' HA2' ' A' ' 65' ' ' GLY . 2.0 mmmm -68.6 -6.27 24.73 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 119.225 -0.99 . . . . 0.0 109.159 177.246 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -63.86 -44.26 93.66 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 114.585 -1.188 . . . . 0.0 108.364 177.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -99.49 -25.18 14.53 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 113.839 -1.528 . . . . 0.0 111.076 -173.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.701 HD11 ' CD2' ' A' ' 77' ' ' LEU . 2.9 tm? -60.67 -43.53 97.56 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.045 -175.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.424 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 72.9 mmtt -62.27 -43.88 97.81 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.347 -0.541 . . . . 0.0 109.892 176.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -60.87 -60.23 4.12 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.242 -0.435 . . . . 0.0 112.006 -179.619 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.1 pp -66.51 -40.34 89.14 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 119.692 -0.803 . . . . 0.0 111.816 -175.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.665 HD21 HD22 ' A' ' 41' ' ' LEU . 3.0 tm? -61.77 -46.99 87.2 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.257 -0.577 . . . . 0.0 110.378 -177.246 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.507 ' HB2' HD22 ' A' ' 45' ' ' LEU . 17.2 pt20 -67.72 -41.47 83.44 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 119.646 -0.822 . . . . 0.0 110.371 175.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 96.1 m -63.99 -52.84 57.72 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.757 -178.212 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.641 ' HB3' HD12 ' B' ' 4' ' ' LEU . 69.0 mm-40 -76.22 -41.01 50.68 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.036 -0.529 . . . . 0.0 112.323 -171.064 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.665 HD22 HD21 ' A' ' 37' ' ' LEU . 10.4 mp -94.14 45.3 1.13 Allowed 'General case' 0 C--O 1.242 0.681 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.745 -177.201 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -56.24 -37.33 69.6 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.152 -173.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.41 -47.33 63.72 Favored Glycine 0 C--O 1.242 0.614 0 N-CA-C 111.65 -0.58 . . . . 0.0 111.65 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.471 ' CD1' ' SD ' ' A' ' 85' ' ' MET . 80.3 m-85 -68.02 -39.15 83.2 Favored 'General case' 0 CA--C 1.501 -0.918 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 177.789 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.507 HD22 ' HB2' ' A' ' 38' ' ' GLN . 50.2 tp -60.64 -44.6 96.19 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.393 176.366 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.405 ' HA ' ' HZ2' ' A' ' 49' ' ' LYS . 25.9 t70 -59.92 -47.94 83.71 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.511 177.677 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.587 ' HB3' ' SD ' ' A' ' 85' ' ' MET . . . -70.48 -38.57 74.39 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.711 179.342 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.487 HE22 HG11 ' A' ' 51' ' ' VAL . 81.3 mm-40 -76.03 10.09 2.1 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 -174.095 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.405 ' HZ2' ' HA ' ' A' ' 46' ' ' ASP . 41.2 mttp -64.01 -42.41 97.15 Favored 'General case' 0 C--N 1.313 -1.02 0 N-CA-C 112.508 0.558 . . . . 0.0 112.508 177.177 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -117.73 37.61 3.88 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 -177.104 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.642 ' O ' HG12 ' A' ' 54' ' ' VAL . 74.5 t -115.73 136.07 53.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 -179.161 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.409 ' O ' ' HG2' ' A' ' 56' ' ' LYS . 36.1 t70 -62.19 -37.97 87.33 Favored 'General case' 0 C--O 1.246 0.896 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.426 -175.705 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.424 ' H ' HG12 ' A' ' 51' ' ' VAL . . . -58.45 -41.11 84.4 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.502 -0.772 . . . . 0.0 112.462 -172.753 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.642 HG12 ' O ' ' A' ' 51' ' ' VAL . 13.0 p -54.93 -42.86 65.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 C-N-CA 120.189 -0.604 . . . . 0.0 110.561 -175.017 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.445 ' HB3' ' HZ2' ' A' ' 56' ' ' LYS . 15.4 t70 -58.55 -49.47 77.32 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.954 0.407 . . . . 0.0 110.928 177.508 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.445 ' HZ2' ' HB3' ' A' ' 55' ' ' ASP . 34.5 mmtm -66.36 -43.77 85.07 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.367 -177.666 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.645 HG12 HD12 ' A' ' 77' ' ' LEU . 95.6 t -66.1 -44.56 91.79 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 115.458 -0.792 . . . . 0.0 108.978 178.316 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.403 ' CB ' ' O ' ' A' ' 54' ' ' VAL . 53.3 ttp -60.89 -39.12 88.07 Favored 'General case' 0 N--CA 1.431 -1.397 0 CA-C-N 114.61 -1.177 . . . . 0.0 109.615 175.345 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.518 ' O ' ' HG2' ' A' ' 63' ' ' GLU . 0.1 OUTLIER -59.73 -45.15 93.07 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 179.455 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 -61.5 -43.81 98.2 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 123.475 0.484 . . . . 0.0 110.453 -178.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.725 ' HG ' HD13 ' A' ' 77' ' ' LEU . 1.3 mm? -62.39 -40.11 95.43 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 175.025 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.479 ' OD2' ' NZ ' ' A' ' 59' ' ' LYS . 11.5 t70 -61.99 -39.92 93.87 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.468 177.186 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.518 ' HG2' ' O ' ' A' ' 59' ' ' LYS . 73.0 mm-40 -56.16 -40.26 73.61 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 179.231 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -90.92 19.45 5.59 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 114.723 -1.126 . . . . 0.0 110.792 176.54 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.572 ' HA2' ' HG3' ' A' ' 30' ' ' LYS . . . -78.97 -6.09 88.82 Favored Glycine 0 C--O 1.237 0.295 0 N-CA-C 108.548 -1.821 . . . . 0.0 108.548 174.216 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -61.76 -37.7 85.25 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-N 114.704 -0.748 . . . . 0.0 109.048 177.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -133.18 -137.71 3.93 Favored Glycine 0 C--O 1.241 0.535 0 N-CA-C 110.559 -1.016 . . . . 0.0 110.559 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -89.78 171.77 9.39 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 -177.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.484 HG23 ' CG ' ' A' ' 73' ' ' GLU . 0.9 OUTLIER -117.81 126.23 74.67 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 172.44 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.57 -178.08 4.78 Favored 'General case' 0 C--N 1.318 -0.795 0 C-N-CA 120.324 -0.55 . . . . 0.0 110.52 -176.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.535 ' CD1' HD13 ' A' ' 12' ' ' ILE . 44.9 t80 -61.38 -44.76 96.61 Favored 'General case' 0 C--N 1.305 -1.361 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.091 -179.639 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -60.43 -45.09 94.88 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.851 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.49 ' O ' HG12 ' A' ' 76' ' ' VAL . 61.8 tt0 -65.83 -41.76 91.39 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.476 174.764 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 23.2 t80 -61.43 -48.22 82.17 Favored 'General case' 0 C--O 1.237 0.418 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 178.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.838 HG21 ' CB ' ' B' ' 79' ' ' ALA . 33.4 m -64.38 -39.84 86.96 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 C-N-CA 119.662 -0.815 . . . . 0.0 112.162 -177.494 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.49 HG12 ' O ' ' A' ' 73' ' ' GLU . 14.4 p -64.38 -35.36 74.01 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.84 0 C-N-CA 119.889 -0.725 . . . . 0.0 110.128 -179.436 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.725 HD13 ' HG ' ' A' ' 61' ' ' LEU . 53.3 tp -60.96 -49.75 76.18 Favored 'General case' 0 CA--C 1.515 -0.398 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.367 178.754 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.502 HG12 HD23 ' A' ' 37' ' ' LEU . 14.2 m -70.46 -43.67 77.83 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.668 0 C-N-CA 120.147 -0.621 . . . . 0.0 110.821 177.802 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.886 ' CB ' HG21 ' B' ' 75' ' ' VAL . . . -64.27 -41.96 96.67 Favored 'General case' 0 CA--C 1.511 -0.549 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.565 -179.163 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.89 -48.13 80.77 Favored 'General case' 0 CA--C 1.508 -0.658 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 179.566 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.444 HD22 ' HG3' ' A' ' 48' ' ' GLN . 97.0 mt -62.48 -41.7 98.97 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.371 175.102 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.439 ' HA ' ' CE1' ' A' ' 44' ' ' PHE . 20.6 m -61.3 -52.29 65.34 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.967 179.409 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.652 HG11 ' HG3' ' B' ' 72' ' ' GLN . 12.8 p -64.33 -37.84 81.0 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.468 0 C-N-CA 119.566 -0.853 . . . . 0.0 110.412 178.607 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -56.18 -57.94 10.05 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.156 177.579 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.587 ' SD ' ' HB3' ' A' ' 47' ' ' ALA . 80.1 mtp -66.9 -42.94 84.61 Favored 'General case' 0 CA--C 1.515 -0.374 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 176.51 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.472 ' O ' ' N ' ' A' ' 89' ' ' PHE . 7.3 m120 -62.09 -37.12 83.86 Favored 'General case' 0 CA--C 1.501 -0.931 0 C-N-CA 120.744 -0.382 . . . . 0.0 111.061 -176.784 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.408 ' HB2' ' O ' ' A' ' 83' ' ' VAL . 3.5 t30 -49.24 -37.11 22.16 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 120.9 0.381 . . . . 0.0 110.044 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -61.96 -33.42 74.27 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.313 176.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.48 ' N ' ' HD1' ' A' ' 89' ' ' PHE . 2.1 m-30 -59.64 -43.62 93.79 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 -176.519 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.594 ' CE3' ' CE1' ' B' ' 16' ' ' HIS . 5.5 m95 . . . . . 0 C--N 1.325 -0.463 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 178.014 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 40' ' ' GLU . 9.4 m . . . . . 0 C--O 1.244 0.807 0 CA-C-O 121.207 0.527 . . . . 0.0 111.679 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . 0.623 ' H ' ' CD ' ' B' ' 3' ' ' GLU . 1.9 mp0 -53.65 -17.5 2.25 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.905 178.429 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.874 HD11 HG21 ' A' ' 14' ' ' VAL . 44.9 mt -60.16 -40.93 91.63 Favored 'General case' 0 CA--C 1.504 -0.823 0 N-CA-C 108.976 -0.749 . . . . 0.0 108.976 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -60.02 -42.54 94.55 Favored 'General case' 0 N--CA 1.442 -0.851 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 177.206 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 8.5 m -63.39 -45.12 92.54 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.743 174.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.05 -45.97 82.8 Favored 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 177.129 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . 0.666 ' SD ' HD11 ' A' ' 11' ' ' LEU . 92.0 mmm -64.25 -41.98 96.71 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.803 177.487 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . 0.544 ' O ' ' N ' ' B' ' 13' ' ' ASN . 71.4 mt-10 -63.34 -38.61 91.81 Favored 'General case' 0 C--O 1.222 -0.391 0 C-N-CA 120.073 -0.651 . . . . 0.0 109.267 175.668 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 15.6 m -58.47 -43.72 89.04 Favored 'General case' 0 C--N 1.314 -0.941 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 177.237 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.637 HD11 ' SD ' ' A' ' 8' ' ' MET . 96.4 mt -62.88 -41.48 99.42 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 174.796 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.517 HD13 ' CD1' ' B' ' 71' ' ' PHE . 21.5 mm -62.79 -42.73 97.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 177.119 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . 0.544 ' N ' ' O ' ' B' ' 9' ' ' GLU . 96.6 m-20 -58.52 -45.75 88.18 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 -174.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.554 HG21 HD23 ' A' ' 4' ' ' LEU . 85.8 t -64.45 -46.5 92.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 175.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.533 ' CE2' ' HB2' ' B' ' 28' ' ' LEU . 52.2 t80 -58.31 -46.46 86.11 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.316 -0.856 . . . . 0.0 109.823 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.594 ' CE1' ' CE3' ' A' ' 90' ' ' TRP . 1.3 t-80 -55.93 -43.87 77.82 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.559 -178.556 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.76 -49.86 76.07 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.151 -178.111 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.695 ' CD2' HD22 ' B' ' 36' ' ' LEU . 96.7 m-70 -67.5 -39.84 85.19 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.098 -0.501 . . . . 0.0 112.318 -176.553 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 67.3 m -57.43 -42.86 83.21 Favored 'General case' 0 C--O 1.233 0.204 0 C-N-CA 120.094 -0.642 . . . . 0.0 109.634 177.318 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.33 -42.25 99.73 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 110.406 -1.078 . . . . 0.0 110.406 177.362 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 12.3 mmtp -65.78 -46.06 80.16 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 122.62 -0.341 . . . . 0.0 111.445 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.531 ' CD ' ' H ' ' B' ' 29' ' ' SER . 99.5 mt-10 -69.08 -39.68 78.89 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.429 178.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 118.76 -24.46 8.42 Favored Glycine 0 CA--C 1.523 0.572 0 C-N-CA 121.087 -0.578 . . . . 0.0 113.633 172.376 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -62.8 145.58 54.61 Favored 'General case' 0 CA--C 1.504 -0.815 0 CA-C-N 118.166 0.983 . . . . 0.0 110.079 179.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.463 ' O ' ' CE3' ' A' ' 90' ' ' TRP . 0.0 OUTLIER -53.4 -49.35 67.45 Favored 'General case' 0 N--CA 1.448 -0.57 0 O-C-N 123.297 0.373 . . . . 0.0 110.395 -178.614 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.4 ' CE1' ' HB2' ' B' ' 25' ' ' LYS . 0.1 OUTLIER -153.92 94.28 1.74 Allowed 'General case' 0 C--O 1.241 0.655 0 CA-C-O 121.22 0.533 . . . . 0.0 110.82 171.577 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 5.8 mmtm -158.96 164.03 35.96 Favored 'General case' 0 C--N 1.308 -1.21 0 CA-C-N 114.232 -1.349 . . . . 0.0 108.192 172.528 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.533 ' HB2' ' CE2' ' B' ' 15' ' ' PHE . 47.2 tp -124.51 134.84 52.89 Favored 'General case' 0 C--N 1.298 -1.633 0 N-CA-C 107.747 -1.205 . . . . 0.0 107.747 170.307 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.531 ' H ' ' CD ' ' B' ' 22' ' ' GLU . 2.0 m -106.1 160.27 15.44 Favored 'General case' 0 C--N 1.305 -1.351 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 -177.263 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.557 ' NZ ' ' O ' ' B' ' 64' ' ' ASN . 3.0 mmmm -68.34 -6.83 26.41 Favored 'General case' 0 C--N 1.319 -0.728 0 C-N-CA 119.993 -0.683 . . . . 0.0 112.253 -173.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.445 ' HD2' ' HG2' ' B' ' 22' ' ' GLU . 0.8 OUTLIER -71.89 -56.86 4.94 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.106 -0.637 . . . . 0.0 110.576 176.848 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.534 ' O ' ' HB3' ' B' ' 36' ' ' LEU . 69.5 mm-40 -72.08 -42.24 66.42 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-O 120.905 0.384 . . . . 0.0 110.676 176.039 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.89 HD21 HD23 ' B' ' 77' ' ' LEU . 2.4 tm? -59.5 -46.76 87.89 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -171.125 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 32.8 mtmt -63.29 -43.94 96.44 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 119.063 -1.055 . . . . 0.0 109.596 -179.236 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.491 ' O ' ' HG2' ' B' ' 38' ' ' GLN . 92.2 mt-10 -73.59 -46.33 47.75 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.298 -0.864 . . . . 0.0 111.777 -178.493 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.695 HD22 ' CD2' ' B' ' 18' ' ' HIS . 0.1 OUTLIER -62.83 -42.94 99.94 Favored 'General case' 0 C--N 1.316 -0.863 0 O-C-N 122.239 -0.288 . . . . 0.0 111.761 178.895 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.742 HD23 HG12 ' B' ' 78' ' ' VAL . 2.6 tm? -60.97 -47.95 84.05 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.701 -177.33 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.491 ' HG2' ' O ' ' B' ' 35' ' ' GLU . 6.4 pt20 -64.41 -40.55 96.0 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 121.179 0.514 . . . . 0.0 109.938 176.769 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.424 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 29.5 m -63.43 -51.87 63.9 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.902 178.374 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -70.67 -40.65 72.86 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.162 0.431 . . . . 0.0 112.162 -177.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.642 HD22 HD21 ' B' ' 37' ' ' LEU . 11.0 mp -102.09 31.06 4.11 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.247 -176.54 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.405 ' O ' ' N ' ' B' ' 46' ' ' ASP . 68.0 m -53.36 -38.71 63.57 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 120.486 -0.486 . . . . 0.0 110.717 -178.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -63.36 -48.81 75.55 Favored Glycine 0 C--O 1.244 0.765 0 N-CA-C 110.518 -1.033 . . . . 0.0 110.518 176.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.562 ' CZ ' HG23 ' B' ' 82' ' ' THR . 10.8 m-85 -64.46 -44.37 91.3 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-O 121.089 0.471 . . . . 0.0 110.604 176.324 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.709 ' O ' HD12 ' B' ' 45' ' ' LEU . 1.9 tp -61.95 -45.16 94.87 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.966 177.25 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.466 ' OD1' ' NZ ' ' B' ' 49' ' ' LYS . 20.3 t70 -59.91 -44.85 94.04 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.58 -179.036 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . 0.971 ' HB3' ' SD ' ' B' ' 85' ' ' MET . . . -64.85 -24.2 67.47 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-O 121.134 0.492 . . . . 0.0 109.941 173.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.533 ' NE2' ' HB ' ' B' ' 51' ' ' VAL . 0.0 OUTLIER -95.07 10.91 33.99 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.679 -0.692 . . . . 0.0 112.783 -176.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.466 ' NZ ' ' OD1' ' B' ' 46' ' ' ASP . 56.7 mttp -58.96 -42.37 89.74 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 119.455 -0.898 . . . . 0.0 111.98 -179.196 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -116.16 35.3 4.57 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 113.183 0.808 . . . . 0.0 113.183 -174.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . 0.586 ' O ' HG12 ' B' ' 54' ' ' VAL . 2.1 t -123.82 122.03 63.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 172.689 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.543 ' OD2' ' NZ ' ' B' ' 56' ' ' LYS . 25.0 t70 -63.55 -8.94 10.93 Favored 'General case' 0 C--O 1.245 0.824 0 N-CA-C 112.742 0.645 . . . . 0.0 112.742 -174.617 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.97 -36.98 85.75 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.073 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.586 HG12 ' O ' ' B' ' 51' ' ' VAL . 11.0 p -59.14 -37.85 70.81 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.498 ' O ' ' N ' ' B' ' 59' ' ' LYS . 17.0 t70 -59.18 -41.69 89.07 Favored 'General case' 0 CA--C 1.505 -0.76 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.615 -179.1 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . 0.543 ' NZ ' ' OD2' ' B' ' 52' ' ' ASP . 23.1 mmtm -63.18 -44.43 95.44 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.354 -176.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.649 HG11 ' HG ' ' B' ' 81' ' ' LEU . 58.0 t -64.58 -44.57 96.79 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.07 0 CA-C-N 115.409 -0.814 . . . . 0.0 108.982 177.757 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 10.4 mmm -60.49 -41.96 95.32 Favored 'General case' 0 CA--C 1.506 -0.73 0 CA-C-N 115.361 -0.836 . . . . 0.0 108.811 176.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' B' ' 55' ' ' ASP . 0.0 OUTLIER -60.54 -45.19 94.76 Favored 'General case' 0 N--CA 1.437 -1.101 0 CA-C-N 114.717 -1.129 . . . . 0.0 109.634 -179.619 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -59.33 -47.14 86.53 Favored 'General case' 0 C--O 1.238 0.462 0 O-C-N 123.435 0.459 . . . . 0.0 110.377 178.204 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.778 ' HG ' HD13 ' B' ' 77' ' ' LEU . 2.4 mm? -63.62 -39.16 93.66 Favored 'General case' 0 C--N 1.318 -0.794 0 C-N-CA 120.609 -0.436 . . . . 0.0 110.263 175.131 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.443 ' OD2' ' NZ ' ' B' ' 59' ' ' LYS . 23.1 t70 -59.42 -42.64 92.31 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.933 0.397 . . . . 0.0 110.28 176.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . 0.429 ' HG3' ' O ' ' B' ' 59' ' ' LYS . 85.9 mt-10 -64.0 -37.13 86.28 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 176.162 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . 0.557 ' O ' ' NZ ' ' B' ' 30' ' ' LYS . 2.1 m-20 -82.76 36.84 0.5 Allowed 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.274 -0.876 . . . . 0.0 110.535 173.366 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . 0.496 ' HA2' ' NZ ' ' B' ' 30' ' ' LYS . . . -102.81 17.86 51.63 Favored Glycine 0 C--N 1.32 -0.306 0 N-CA-C 109.644 -1.382 . . . . 0.0 109.644 178.136 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -59.45 -44.19 93.0 Favored 'General case' 0 CA--C 1.506 -0.735 0 CA-C-O 120.939 0.4 . . . . 0.0 110.141 -179.191 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -156.03 -88.35 0.07 OUTLIER Glycine 0 C--N 1.311 -0.826 0 N-CA-C 110.763 -0.935 . . . . 0.0 110.763 179.25 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -110.52 165.83 11.49 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.173 0.511 . . . . 0.0 112.008 -177.465 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.878 HG23 ' HB2' ' B' ' 73' ' ' GLU . 0.6 OUTLIER -121.79 125.54 73.44 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.096 0 N-CA-C 107.647 -1.242 . . . . 0.0 107.647 170.091 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.531 ' CG ' ' N ' ' B' ' 71' ' ' PHE . 0.7 OUTLIER -92.66 -179.95 5.32 Favored 'General case' 0 C--N 1.311 -1.066 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 -176.512 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.531 ' N ' ' CG ' ' B' ' 70' ' ' ASP . 56.2 t80 -57.79 -41.91 83.08 Favored 'General case' 0 C--N 1.307 -1.276 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 -178.568 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.652 ' HG3' HG11 ' A' ' 83' ' ' VAL . 44.9 mt-30 -58.2 -45.73 87.09 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.705 178.724 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.878 ' HB2' HG23 ' B' ' 69' ' ' VAL . 2.1 mp0 -67.57 -38.0 83.44 Favored 'General case' 0 C--O 1.239 0.513 0 C-N-CA 120.152 -0.619 . . . . 0.0 109.856 174.731 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . 0.456 ' OH ' HD21 ' A' ' 4' ' ' LEU . 39.6 t80 -60.94 -48.01 83.79 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.299 -179.297 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.886 HG21 ' CB ' ' A' ' 79' ' ' ALA . 26.9 m -63.93 -41.18 91.67 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 C-N-CA 119.841 -0.744 . . . . 0.0 112.067 -179.634 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.472 ' O ' ' N ' ' B' ' 80' ' ' ALA . 13.1 p -65.44 -37.93 81.24 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.452 0 C-N-CA 120.026 -0.67 . . . . 0.0 110.862 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.89 HD23 HD21 ' B' ' 33' ' ' LEU . 41.0 tp -60.67 -49.42 77.6 Favored 'General case' 0 CA--C 1.515 -0.376 0 C-N-CA 120.367 -0.533 . . . . 0.0 111.071 177.385 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.742 HG12 HD23 ' B' ' 37' ' ' LEU . 25.1 m -69.16 -43.26 81.71 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 C-N-CA 119.491 -0.884 . . . . 0.0 110.515 177.537 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.838 ' CB ' HG21 ' A' ' 75' ' ' VAL . . . -63.56 -42.21 98.37 Favored 'General case' 0 CA--C 1.51 -0.578 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.35 179.02 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . 0.472 ' N ' ' O ' ' B' ' 76' ' ' VAL . . . -61.36 -44.78 96.6 Favored 'General case' 0 N--CA 1.445 -0.716 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 -179.303 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.649 ' HG ' HG11 ' B' ' 57' ' ' VAL . 92.2 mt -63.21 -41.97 99.21 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 173.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.562 HG23 ' CZ ' ' B' ' 44' ' ' PHE . 14.7 m -61.78 -51.15 69.47 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.8 179.402 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.426 HG12 ' O ' ' B' ' 80' ' ' ALA . 0.7 OUTLIER -63.65 -42.88 97.58 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.422 178.741 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.76 -50.98 71.41 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.144 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 85' ' ' MET . . . . . 0.971 ' SD ' ' HB3' ' B' ' 47' ' ' ALA . 31.7 ttp -70.9 -42.34 70.09 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.291 -0.564 . . . . 0.0 110.463 178.019 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.5 ' HB2' ' O ' ' B' ' 82' ' ' THR . 3.3 t30 -61.83 -30.8 71.08 Favored 'General case' 0 CA--C 1.506 -0.719 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.035 -179.634 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . 0.543 HD22 ' C ' ' B' ' 87' ' ' ASN . 0.2 OUTLIER -47.76 -43.21 27.14 Favored 'General case' 0 CA--C 1.511 -0.539 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 -179.021 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.405 ' CE2' HG11 ' B' ' 51' ' ' VAL . 86.8 m-85 -69.02 -38.5 79.24 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.239 178.425 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 5.6 m-30 . . . . . 0 CA--C 1.512 -0.508 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 -173.185 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.408 ' N ' ' O ' ' B' ' 40' ' ' GLU . 5.4 m . . . . . 0 C--O 1.239 0.513 0 N-CA-C 110.154 -0.313 . . . . 0.0 110.154 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.51 ' CD ' ' H ' ' A' ' 3' ' ' GLU . 2.2 mp0 -46.56 -22.66 0.3 Allowed 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.93 0.395 . . . . 0.0 110.171 179.667 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.652 HD13 HD23 ' B' ' 11' ' ' LEU . 1.0 OUTLIER -60.89 -41.22 95.63 Favored 'General case' 0 CA--C 1.505 -0.779 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.802 -176.134 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -64.95 -42.54 94.54 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 119.037 -1.065 . . . . 0.0 110.095 178.336 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 17.1 m -62.23 -46.84 87.08 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 174.106 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.24 -42.59 95.6 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 177.466 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.517 ' SD ' ' OG1' ' B' ' 82' ' ' THR . 0.3 OUTLIER -63.69 -43.6 96.14 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 177.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 13' ' ' ASN . 96.7 mt-10 -65.19 -37.19 86.54 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.55 176.487 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 18.8 m -58.09 -45.25 87.49 Favored 'General case' 0 C--N 1.313 -1.005 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 178.061 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.765 HD23 HD22 ' B' ' 4' ' ' LEU . 82.8 mt -63.06 -41.04 99.37 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.019 172.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.48 ' O ' ' N ' ' A' ' 16' ' ' HIS . 21.5 mm -62.62 -44.27 99.25 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.54 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.213 178.724 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 9' ' ' GLU . 50.8 m-80 -60.5 -42.88 97.25 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 120.696 -0.401 . . . . 0.0 110.514 -174.18 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.828 HG21 HD11 ' B' ' 4' ' ' LEU . 71.1 t -62.09 -46.62 96.07 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 175.027 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.467 ' CE1' ' HB2' ' A' ' 28' ' ' LEU . 69.1 t80 -60.25 -45.18 94.15 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.542 176.121 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.48 ' N ' ' O ' ' A' ' 12' ' ' ILE . 0.2 OUTLIER -57.26 -49.89 74.62 Favored 'General case' 0 C--O 1.242 0.663 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.17 -179.359 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.83 -50.3 73.99 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.112 -179.04 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.413 ' HB3' ' CD1' ' A' ' 28' ' ' LEU . 92.6 m-70 -67.6 -36.57 81.1 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.435 -179.323 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.417 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 48.8 m -56.47 -41.42 76.53 Favored 'General case' 0 CA--C 1.514 -0.406 0 C-N-CA 120.299 -0.56 . . . . 0.0 110.266 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.13 -33.65 86.53 Favored Glycine 0 CA--C 1.522 0.505 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 179.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.4 mmtp -63.82 -76.04 0.07 Allowed 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 -175.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -124.05 -5.31 7.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.958 -0.564 . . . . 0.0 112.321 -171.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.507 ' HA3' ' O ' ' A' ' 27' ' ' LYS . . . -75.04 -111.02 0.09 OUTLIER Glycine 0 CA--C 1.529 0.907 0 N-CA-C 111.771 -0.532 . . . . 0.0 111.771 -176.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -151.1 -151.26 0.38 Allowed 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 178.323 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.405 ' HE3' ' CZ ' ' A' ' 26' ' ' TYR . 46.6 mtmt -61.84 -45.43 93.83 Favored 'General case' 0 CA--C 1.475 -1.925 0 N-CA-C 106.569 -1.641 . . . . 0.0 106.569 173.049 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.405 ' CZ ' ' HE3' ' A' ' 25' ' ' LYS . 0.1 OUTLIER -146.46 93.31 2.28 Favored 'General case' 0 N--CA 1.428 -1.535 0 CA-C-N 113.762 -1.563 . . . . 0.0 109.672 170.838 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.507 ' O ' ' HA3' ' A' ' 23' ' ' GLY . 7.9 mmtm -163.85 159.05 20.66 Favored 'General case' 0 C--N 1.303 -1.447 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 174.356 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.467 ' HB2' ' CE1' ' A' ' 15' ' ' PHE . 45.6 tp -123.42 131.11 53.55 Favored 'General case' 0 C--N 1.307 -1.269 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 176.532 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.8 p -76.5 157.23 32.32 Favored 'General case' 0 C--O 1.243 0.755 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 178.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.487 ' NZ ' ' O ' ' A' ' 64' ' ' ASN . 8.3 mmmm -77.91 -7.89 57.36 Favored 'General case' 0 C--N 1.318 -0.799 0 C-N-CA 118.805 -1.158 . . . . 0.0 109.005 176.426 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 53.2 mttm -66.35 -50.17 64.45 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 176.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -75.56 -39.38 58.25 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 113.538 -1.664 . . . . 0.0 111.047 178.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.803 HD11 ' CD2' ' A' ' 77' ' ' LEU . 3.2 tm? -59.41 -44.79 92.77 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.083 -173.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.471 ' HB3' ' NZ ' ' A' ' 34' ' ' LYS . 7.1 mtpm? -62.61 -43.44 98.79 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 120.425 -0.51 . . . . 0.0 110.923 179.419 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.427 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 75.1 mm-40 -73.4 -52.25 14.45 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.233 0.539 . . . . 0.0 110.148 -177.735 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.532 ' HG ' ' N ' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -63.35 -43.86 96.49 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 115.906 -0.588 . . . . 0.0 112.456 -176.918 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.672 HD13 ' C ' ' A' ' 37' ' ' LEU . 2.9 tm? -61.59 -47.28 86.21 Favored 'General case' 0 CA--C 1.511 -0.556 0 C-N-CA 120.032 -0.667 . . . . 0.0 110.506 -177.419 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.587 ' HA ' HD22 ' A' ' 45' ' ' LEU . 18.0 pt20 -66.35 -41.07 90.06 Favored 'General case' 0 C--N 1.317 -0.834 0 C-N-CA 119.763 -0.775 . . . . 0.0 110.258 178.096 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 98.6 m -63.84 -52.36 60.46 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.67 -179.04 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.924 ' HB3' HD12 ' B' ' 4' ' ' LEU . 70.9 mm-40 -72.64 -43.01 63.79 Favored 'General case' 0 C--O 1.239 0.504 0 N-CA-C 112.587 0.588 . . . . 0.0 112.587 -173.418 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.9 mp -96.85 35.37 1.55 Allowed 'General case' 0 CA--C 1.505 -0.766 0 CA-C-O 121.206 0.527 . . . . 0.0 110.567 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.76 -33.99 69.09 Favored 'General case' 0 C--N 1.307 -1.242 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.355 -178.354 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.03 -50.81 43.7 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.565 -0.614 . . . . 0.0 111.565 177.423 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.539 ' HD1' ' SD ' ' A' ' 85' ' ' MET . 21.3 m-85 -70.47 -39.33 74.32 Favored 'General case' 0 CA--C 1.494 -1.193 0 CA-C-O 121.309 0.576 . . . . 0.0 110.163 176.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.587 HD22 ' HA ' ' A' ' 38' ' ' GLN . 44.5 tp -61.02 -44.83 96.83 Favored 'General case' 0 N--CA 1.427 -1.625 0 CA-C-N 115.23 -0.895 . . . . 0.0 111.463 -178.7 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -55.42 -46.18 76.68 Favored 'General case' 0 CA--C 1.511 -0.52 0 C-N-CA 119.91 -0.716 . . . . 0.0 110.534 -175.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.487 ' HB3' ' SD ' ' A' ' 85' ' ' MET . . . -66.68 -39.46 88.13 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.369 177.725 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.424 ' HG2' ' O ' ' A' ' 44' ' ' PHE . 85.8 mm-40 -76.45 -8.48 57.24 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.658 -0.701 . . . . 0.0 112.336 -177.737 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.507 ' HG3' ' O ' ' A' ' 45' ' ' LEU . 12.9 mtpt -56.99 -38.78 73.52 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 177.25 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -98.03 19.15 14.48 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.043 -176.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.492 HG12 ' H ' ' A' ' 53' ' ' ALA . 69.9 t -118.91 133.16 66.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 -178.139 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -57.54 -34.12 68.82 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.809 -176.627 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.492 ' H ' HG12 ' A' ' 51' ' ' VAL . . . -56.45 -30.47 62.9 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.225 -177.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 1.2 p -58.79 -43.53 88.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 C-N-CA 120.196 -0.602 . . . . 0.0 110.493 -178.545 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.511 ' OD1' ' NZ ' ' A' ' 59' ' ' LYS . 1.8 t70 -60.14 -55.57 32.18 Favored 'General case' 0 CA--C 1.504 -0.796 0 CA-C-O 121.559 0.695 . . . . 0.0 110.452 175.157 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 46.3 mttp -67.49 -39.93 85.21 Favored 'General case' 0 C--N 1.295 -1.778 0 CA-C-N 114.544 -1.207 . . . . 0.0 113.088 -173.474 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.552 HG12 HD12 ' A' ' 77' ' ' LEU . 52.8 t -63.67 -45.78 96.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 174.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.489 ' O ' ' N ' ' A' ' 62' ' ' ASP . 65.1 ttp -62.29 -38.43 89.35 Favored 'General case' 0 N--CA 1.434 -1.261 0 CA-C-N 114.504 -1.225 . . . . 0.0 109.817 174.75 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.511 ' NZ ' ' OD1' ' A' ' 55' ' ' ASP . 0.4 OUTLIER -60.83 -42.04 96.96 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.672 -174.853 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -58.15 -45.67 87.02 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 178.018 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.734 ' HG ' HD22 ' A' ' 77' ' ' LEU . 2.6 mm? -64.36 -40.6 96.17 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.273 173.612 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.489 ' N ' ' O ' ' A' ' 58' ' ' MET . 18.3 t0 -60.99 -38.85 87.47 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 -178.12 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.496 ' C ' ' H ' ' A' ' 65' ' ' GLY . 97.2 mt-10 -63.82 -43.17 97.03 Favored 'General case' 0 CA--C 1.502 -0.874 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 173.432 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.487 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . 8.6 t-20 -74.41 36.61 0.1 Allowed 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.28 178.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.496 ' H ' ' C ' ' A' ' 63' ' ' GLU . . . -100.74 -3.7 54.91 Favored Glycine 0 CA--C 1.508 -0.359 0 N-CA-C 109.662 -1.375 . . . . 0.0 109.662 179.633 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -61.54 -40.35 94.37 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.086 -0.557 . . . . 0.0 110.403 -177.428 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -128.66 -140.9 5.06 Favored Glycine 0 C--N 1.311 -0.849 0 N-CA-C 109.229 -1.548 . . . . 0.0 109.229 176.362 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.432 ' N ' ' CD ' ' A' ' 68' ' ' GLU . 19.4 mp0 -90.64 175.62 6.97 Favored 'General case' 0 C--N 1.309 -1.154 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 176.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.637 HG23 ' CB ' ' A' ' 73' ' ' GLU . 1.9 p -117.94 131.24 71.25 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 174.79 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -94.15 -176.56 4.02 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.168 0.509 . . . . 0.0 110.643 -176.08 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.482 ' O ' HG22 ' A' ' 75' ' ' VAL . 48.6 t80 -61.06 -44.62 97.1 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.256 178.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -61.29 -42.25 98.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.59 -179.203 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.637 ' CB ' HG23 ' A' ' 69' ' ' VAL . 70.0 mm-40 -70.2 -38.14 75.25 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 121.605 0.717 . . . . 0.0 110.09 174.447 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -61.67 -48.58 80.19 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.873 179.505 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.897 HG21 ' CB ' ' B' ' 79' ' ' ALA . 19.0 m -63.22 -40.7 90.04 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -177.086 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.412 HG12 ' O ' ' A' ' 73' ' ' GLU . 9.2 p -63.96 -38.75 83.22 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.713 0 C-N-CA 120.364 -0.534 . . . . 0.0 110.574 -179.384 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.803 ' CD2' HD11 ' A' ' 33' ' ' LEU . 59.3 tp -61.32 -47.81 84.23 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.296 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.544 HG12 HD23 ' A' ' 37' ' ' LEU . 28.2 m -69.66 -42.53 80.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 C-N-CA 120.21 -0.596 . . . . 0.0 111.07 176.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.974 ' CB ' HG21 ' B' ' 75' ' ' VAL . . . -63.41 -41.48 98.73 Favored 'General case' 0 CA--C 1.508 -0.641 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.6 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.12 -48.44 80.2 Favored 'General case' 0 N--CA 1.44 -0.937 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.991 -179.164 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.497 ' CD1' HD11 ' A' ' 37' ' ' LEU . 87.5 mt -63.19 -42.0 99.27 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.826 175.51 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.62 HG21 ' HB3' ' B' ' 8' ' ' MET . 21.0 m -61.98 -51.43 68.1 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.344 -179.591 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.418 ' HB ' ' HB3' ' B' ' 71' ' ' PHE . 10.0 p -63.3 -43.38 98.62 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.579 0 C-N-CA 120.093 -0.643 . . . . 0.0 110.539 -179.493 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -53.89 -52.66 59.79 Favored 'General case' 0 N--CA 1.44 -0.927 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.488 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.539 ' SD ' ' HD1' ' A' ' 44' ' ' PHE . 27.3 ttt -77.03 -44.05 32.28 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 119.638 -0.825 . . . . 0.0 111.921 178.272 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.663 ' OD1' HG21 ' B' ' 12' ' ' ILE . 8.3 t-20 -62.47 -40.07 95.45 Favored 'General case' 0 CA--C 1.513 -0.479 0 C-N-CA 120.58 -0.448 . . . . 0.0 111.666 -174.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.57 ' C ' HD22 ' A' ' 87' ' ' ASN . 0.2 OUTLIER -47.39 -32.55 5.03 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.194 179.923 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -63.59 -34.78 78.58 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.871 178.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.431 ' N ' ' O ' ' A' ' 86' ' ' ASN . 55.3 m-85 -61.05 -37.98 84.54 Favored 'General case' 0 CA--C 1.514 -0.426 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 175.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.656 ' CD1' ' N ' ' A' ' 90' ' ' TRP . 2.4 m0 . . . . . 0 C--N 1.317 -0.821 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 179.164 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . 0.425 ' C ' ' N ' ' B' ' 4' ' ' LEU . 19.0 m . . . . . 0 N--CA 1.449 -0.498 0 CA-C-O 120.746 0.308 . . . . 0.0 110.813 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . 0.619 ' H ' ' CD ' ' B' ' 3' ' ' GLU . 2.7 mp0 -49.62 -18.57 0.46 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.828 177.492 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.924 HD12 ' HB3' ' A' ' 40' ' ' GLU . 89.7 mt -61.08 -41.11 96.02 Favored 'General case' 0 N--CA 1.436 -1.135 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 178.054 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -62.77 -43.05 99.81 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 178.116 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . 0.407 ' O ' ' N ' ' B' ' 10' ' ' THR . 9.8 m -61.19 -45.72 93.43 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.325 174.756 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.49 -47.19 84.91 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.441 176.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . 0.62 ' HB3' HG21 ' A' ' 82' ' ' THR . 1.8 mtp -63.35 -42.96 98.94 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.148 178.219 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -64.83 -35.82 82.35 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.644 176.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.407 ' N ' ' O ' ' B' ' 6' ' ' THR . 12.3 m -58.85 -44.34 90.96 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 174.47 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.652 HD23 HD13 ' A' ' 4' ' ' LEU . 93.6 mt -63.07 -39.26 94.19 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.157 175.126 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.663 HG21 ' OD1' ' A' ' 86' ' ' ASN . 17.8 mm -61.73 -43.28 96.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.977 -179.092 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -57.7 -44.07 85.61 Favored 'General case' 0 C--N 1.318 -0.791 0 C-N-CA 120.941 -0.304 . . . . 0.0 110.481 -174.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 96.2 t -63.43 -48.68 86.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.386 0.612 . . . . 0.0 109.647 177.472 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.498 ' CE2' ' HB2' ' B' ' 28' ' ' LEU . 48.1 t80 -61.17 -48.02 83.48 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.671 0.748 . . . . 0.0 110.151 178.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -62.21 -47.34 84.89 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 114.862 -1.063 . . . . 0.0 110.977 -176.314 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.84 -46.19 90.05 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 120.831 0.348 . . . . 0.0 110.642 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 86.5 m-70 -71.24 -26.92 63.12 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.168 -0.469 . . . . 0.0 112.233 -179.434 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 38.6 m -53.56 -42.61 67.71 Favored 'General case' 0 CA--C 1.52 -0.192 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 177.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.48 -41.97 99.74 Favored Glycine 0 CA--C 1.522 0.503 0 CA-C-N 115.928 -0.578 . . . . 0.0 112.077 179.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -65.94 -46.24 78.9 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 -172.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -142.46 -4.9 0.97 Allowed 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -176.349 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . 0.443 ' HA3' ' O ' ' B' ' 27' ' ' LYS . . . -89.35 176.07 43.15 Favored Glycine 0 C--N 1.308 -1.002 0 N-CA-C 110.491 -1.044 . . . . 0.0 110.491 -175.628 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . 0.486 ' CG ' ' H ' ' B' ' 25' ' ' LYS . 10.5 t70 -75.88 -157.87 0.08 Allowed 'General case' 0 CA--C 1.512 -0.498 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 176.5 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.486 ' H ' ' CG ' ' B' ' 24' ' ' ASP . 0.2 OUTLIER -62.03 -45.63 92.75 Favored 'General case' 0 CA--C 1.488 -1.429 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 177.653 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.547 ' HB3' ' CE3' ' A' ' 90' ' ' TRP . 0.1 OUTLIER -137.79 89.79 2.44 Favored 'General case' 0 N--CA 1.426 -1.655 0 CA-C-N 114.934 -1.03 . . . . 0.0 108.918 170.169 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.485 ' NZ ' ' HB3' ' B' ' 70' ' ' ASP . 0.0 OUTLIER -167.27 164.87 15.43 Favored 'General case' 0 C--N 1.311 -1.085 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 172.722 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.603 HD21 HD21 ' B' ' 36' ' ' LEU . 53.0 tp -123.51 132.62 53.97 Favored 'General case' 0 C--N 1.304 -1.374 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 174.688 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.97 166.57 15.81 Favored 'General case' 0 C--N 1.308 -1.212 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.849 -177.807 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.453 ' NZ ' ' O ' ' B' ' 65' ' ' GLY . 7.4 mmmm -76.78 -3.11 36.57 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.719 -176.22 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.416 ' H ' ' HG3' ' B' ' 31' ' ' LYS . 32.4 mttt -80.94 -60.05 2.44 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 121.914 0.864 . . . . 0.0 108.873 -179.254 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -64.79 -35.93 82.68 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.063 -1.426 . . . . 0.0 109.581 -178.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.663 HD13 ' C ' ' B' ' 33' ' ' LEU . 2.9 tm? -59.27 -43.45 92.48 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.973 -1.012 . . . . 0.0 110.857 -174.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 50.2 mttp -61.22 -42.53 98.75 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -70.95 -50.44 34.55 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.685 -0.689 . . . . 0.0 112.313 -177.157 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.603 HD21 HD21 ' B' ' 28' ' ' LEU . 1.1 pp -68.23 -40.82 81.91 Favored 'General case' 0 CA--C 1.509 -0.617 0 C-N-CA 119.758 -0.777 . . . . 0.0 111.676 -178.494 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.621 HD23 HG12 ' B' ' 78' ' ' VAL . 2.8 tm? -61.32 -47.07 87.62 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.289 -0.564 . . . . 0.0 110.842 -176.714 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.462 ' HB2' ' CD2' ' B' ' 45' ' ' LEU . 14.5 pt20 -65.42 -42.05 92.91 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 119.826 -0.75 . . . . 0.0 109.977 176.601 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 94.4 m -65.01 -52.67 54.78 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.38 -177.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.479 ' HB3' ' HG ' ' A' ' 4' ' ' LEU . 46.3 mm-40 -69.92 -39.77 75.97 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.816 0.672 . . . . 0.0 112.816 -176.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 10.4 mp -107.68 37.13 2.51 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 121.087 0.47 . . . . 0.0 110.407 179.254 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.29 -36.5 73.4 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.371 -176.138 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.52 -51.25 49.76 Favored Glycine 0 C--O 1.246 0.859 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 177.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.492 ' O ' ' N ' ' B' ' 48' ' ' GLN . 19.5 m-85 -66.1 -41.11 91.08 Favored 'General case' 0 CA--C 1.502 -0.886 0 CA-C-O 120.855 0.36 . . . . 0.0 110.087 176.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.507 ' O ' HD12 ' B' ' 45' ' ' LEU . 3.0 tp -58.91 -48.11 82.63 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.89 179.536 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -61.6 -42.14 98.44 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.602 179.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.9 -35.25 80.54 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.881 173.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.508 ' NE2' ' HB ' ' B' ' 51' ' ' VAL . 3.2 mm100 -78.5 -11.92 59.98 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.735 -0.666 . . . . 0.0 112.73 -177.198 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.486 ' HG3' ' O ' ' B' ' 45' ' ' LEU . 67.8 mttm -59.33 -39.69 83.94 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 120.798 -0.361 . . . . 0.0 111.876 -175.482 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -89.5 14.12 12.2 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.388 -0.525 . . . . 0.0 111.586 -179.416 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . 0.646 ' O ' HG12 ' B' ' 54' ' ' VAL . 2.7 t -117.08 126.66 74.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 176.128 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.405 ' OD2' ' NZ ' ' B' ' 56' ' ' LYS . 33.8 t70 -60.61 -35.44 76.15 Favored 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 120.935 -0.306 . . . . 0.0 111.376 -177.792 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.408 ' O ' HG23 ' B' ' 57' ' ' VAL . . . -45.19 -29.72 1.01 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.416 -177.709 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.646 HG12 ' O ' ' B' ' 51' ' ' VAL . 9.9 p -60.21 -42.55 90.72 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 C-N-CA 120.34 -0.544 . . . . 0.0 109.914 179.55 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.457 ' OD1' ' NZ ' ' B' ' 59' ' ' LYS . 18.8 t70 -60.92 -52.44 65.03 Favored 'General case' 0 CA--C 1.497 -1.085 0 CA-C-O 121.44 0.638 . . . . 0.0 110.315 176.308 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . 0.405 ' NZ ' ' OD2' ' B' ' 52' ' ' ASP . 49.6 mttp -63.72 -42.33 97.93 Favored 'General case' 0 C--N 1.304 -1.396 0 CA-C-N 114.962 -1.017 . . . . 0.0 112.152 -175.646 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.625 HG12 HD12 ' B' ' 77' ' ' LEU . 78.1 t -63.48 -47.25 92.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 178.005 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 65.8 ttp -62.84 -42.49 99.76 Favored 'General case' 0 N--CA 1.432 -1.344 0 CA-C-N 114.845 -1.071 . . . . 0.0 110.623 176.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . 0.613 ' HB2' ' HZ2' ' B' ' 59' ' ' LYS . 0.4 OUTLIER -64.05 -41.85 97.25 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.697 -179.152 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 -61.17 -40.8 95.25 Favored 'General case' 0 C--N 1.319 -0.746 0 C-N-CA 119.562 -0.855 . . . . 0.0 109.027 177.253 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.643 ' HG ' HD13 ' B' ' 77' ' ' LEU . 2.6 mm? -63.37 -38.66 92.02 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 171.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.439 ' HA ' ' HZ3' ' B' ' 30' ' ' LYS . 25.4 t70 -60.81 -45.39 94.64 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 177.738 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -68.34 -51.81 40.32 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.898 178.52 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . 0.439 ' C ' ' H ' ' B' ' 66' ' ' ASP . 9.9 t-20 -69.29 -48.45 61.6 Favored 'General case' 0 CA--C 1.503 -0.833 0 CA-C-O 121.476 0.655 . . . . 0.0 110.348 -177.126 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' B' ' 61' ' ' LEU . . . -77.39 45.98 2.44 Favored Glycine 0 CA--C 1.493 -1.321 0 N-CA-C 108.796 -1.721 . . . . 0.0 108.796 176.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.439 ' H ' ' C ' ' B' ' 64' ' ' ASN . 29.6 t70 -60.99 -33.96 74.05 Favored 'General case' 0 CA--C 1.497 -1.083 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 -178.42 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -108.8 -62.39 0.54 Allowed Glycine 0 C--N 1.312 -0.789 0 N-CA-C 110.058 -1.217 . . . . 0.0 110.058 177.177 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.4 ' O ' ' HA2' ' B' ' 65' ' ' GLY . 97.5 mt-10 -139.82 169.34 17.89 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 -178.203 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.664 HG23 ' CB ' ' B' ' 73' ' ' GLU . 1.5 p -122.09 128.08 75.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 174.334 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.485 ' HB3' ' NZ ' ' B' ' 27' ' ' LYS . 0.0 OUTLIER -93.7 -179.94 5.17 Favored 'General case' 0 CA--C 1.515 -0.368 0 C-N-CA 120.708 -0.397 . . . . 0.0 111.06 -179.1 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.71 ' O ' HG22 ' B' ' 75' ' ' VAL . 58.0 t80 -61.18 -44.62 97.0 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 179.278 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -59.67 -41.09 89.88 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.864 175.428 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.664 ' CB ' HG23 ' B' ' 69' ' ' VAL . 44.4 mt-10 -66.92 -43.52 83.07 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 174.386 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -63.14 -48.85 76.7 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.344 -0.844 . . . . 0.0 112.139 -176.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.974 HG21 ' CB ' ' A' ' 79' ' ' ALA . 12.9 m -62.38 -41.0 90.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 C-N-CA 120.386 -0.525 . . . . 0.0 111.95 -177.197 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.495 HG12 ' O ' ' B' ' 73' ' ' GLU . 14.7 p -64.39 -37.53 80.22 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.788 0 C-N-CA 120.374 -0.53 . . . . 0.0 109.918 178.298 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.643 HD13 ' HG ' ' B' ' 61' ' ' LEU . 54.5 tp -61.54 -49.0 78.46 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.602 179.039 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.621 HG12 HD23 ' B' ' 37' ' ' LEU . 27.1 m -67.95 -43.15 85.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 C-N-CA 119.947 -0.701 . . . . 0.0 110.605 176.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.897 ' CB ' HG21 ' A' ' 75' ' ' VAL . . . -63.28 -42.81 99.13 Favored 'General case' 0 CA--C 1.509 -0.608 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.801 179.356 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . 0.412 ' O ' HG12 ' B' ' 83' ' ' VAL . . . -59.83 -46.26 89.8 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-O 121.248 0.547 . . . . 0.0 110.011 -178.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.452 ' CD1' HD11 ' B' ' 37' ' ' LEU . 93.1 mt -63.64 -42.56 98.11 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.569 174.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.517 ' OG1' ' SD ' ' A' ' 8' ' ' MET . 20.5 m -63.23 -49.28 74.78 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.657 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.424 HG13 ' N ' ' B' ' 84' ' ' ALA . 11.4 p -61.16 -46.27 96.96 Favored 'Isoleucine or valine' 0 C--O 1.24 0.578 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.732 -177.03 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . 0.424 ' N ' HG13 ' B' ' 83' ' ' VAL . . . -59.74 -50.29 74.4 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.335 179.003 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.5 -44.87 77.44 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.468 0.651 . . . . 0.0 110.526 179.098 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.463 ' N ' ' O ' ' B' ' 82' ' ' THR . 12.5 t-20 -63.36 -39.91 95.83 Favored 'General case' 0 CA--C 1.505 -0.762 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.409 -176.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -45.14 -33.07 2.06 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.087 -176.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -61.97 -37.1 83.49 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.467 176.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . 0.44 ' N ' ' O ' ' B' ' 86' ' ' ASN . 40.4 m-85 . . . . . 0 C--N 1.324 -0.532 0 CA-C-O 120.964 0.411 . . . . 0.0 110.383 177.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.412 ' N ' ' OE1' ' A' ' 5' ' ' GLU . 2.5 m . . . . . 0 CA--C 1.53 0.204 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.24 -45.94 86.86 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.573 179.165 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.514 ' H ' HD22 ' A' ' 4' ' ' LEU . 1.6 mm? -61.85 -42.91 99.62 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 178.742 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.412 ' OE1' ' N ' ' A' ' 2' ' ' SER . 74.8 mt-10 -65.37 -47.33 76.78 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.078 178.412 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 10' ' ' THR . 10.5 m -63.02 -43.49 98.59 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.441 -0.8 . . . . 0.0 111.208 177.488 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.758 ' HB1' ' HB1' ' B' ' 7' ' ' ALA . . . -53.56 -45.11 69.78 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.615 ' SD ' HD11 ' B' ' 11' ' ' LEU . 95.7 mmm -65.16 -40.06 93.81 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.124 176.722 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -62.9 -37.39 86.77 Favored 'General case' 0 CA--C 1.518 -0.258 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 176.251 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.693 HG22 ' CD1' ' B' ' 4' ' ' LEU . 7.8 m -59.45 -44.76 92.89 Favored 'General case' 0 C--N 1.313 -1.021 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 -178.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.597 HD11 ' SD ' ' B' ' 8' ' ' MET . 98.4 mt -62.22 -40.39 95.94 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.404 174.545 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.527 HD13 ' CE1' ' A' ' 71' ' ' PHE . 24.2 mm -62.36 -43.48 98.18 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 179.258 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -60.74 -42.85 98.17 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.433 HG21 HD21 ' B' ' 4' ' ' LEU . 75.8 t -64.25 -46.32 93.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.72 175.053 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -58.69 -47.97 82.7 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.636 -179.499 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.513 ' CD2' HD21 ' B' ' 86' ' ' ASN . 3.0 m-70 -65.24 -38.71 91.2 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.732 176.657 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.26 -47.6 78.21 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 177.35 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.615 ' CE1' ' HB2' ' A' ' 36' ' ' LEU . 91.4 m-70 -69.93 -38.13 76.1 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.748 -0.66 . . . . 0.0 112.371 177.174 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.4 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 68.3 m -53.6 -40.82 66.03 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-O 121.508 0.67 . . . . 0.0 109.954 -179.632 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.41 -26.71 69.81 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.632 -0.987 . . . . 0.0 110.632 176.327 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.462 ' HB3' ' O ' ' A' ' 18' ' ' HIS . 0.1 OUTLIER -62.16 -45.28 94.12 Favored 'General case' 0 CA--C 1.515 -0.384 0 N-CA-C 110.735 -0.098 . . . . 0.0 110.735 -177.695 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.448 ' OE1' ' N ' ' A' ' 29' ' ' SER . 3.7 pt-20 -91.32 -11.91 36.58 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-O 120.982 0.42 . . . . 0.0 110.609 178.689 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.25 19.29 53.34 Favored Glycine 0 CA--C 1.527 0.811 0 CA-C-N 115.707 -0.679 . . . . 0.0 112.877 175.26 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -78.22 156.18 29.92 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 117.31 0.555 . . . . 0.0 109.825 176.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.458 ' HE2' ' CZ ' ' A' ' 26' ' ' TYR . 23.5 pttm -60.05 -42.71 95.05 Favored 'General case' 0 CA--C 1.512 -0.484 0 C-N-CA 119.947 -0.701 . . . . 0.0 109.373 173.744 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.458 ' CZ ' ' HE2' ' A' ' 25' ' ' LYS . 11.2 p90 -172.66 93.83 0.12 Allowed 'General case' 0 N--CA 1.446 -0.659 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.577 171.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.497 ' NZ ' ' OE1' ' A' ' 68' ' ' GLU . 9.0 mmmm -156.35 168.43 27.37 Favored 'General case' 0 C--N 1.311 -1.108 0 N-CA-C 107.145 -1.428 . . . . 0.0 107.145 174.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.539 ' HB3' HG13 ' A' ' 69' ' ' VAL . 44.0 tp -124.44 129.6 50.95 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 174.625 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.448 ' N ' ' OE1' ' A' ' 22' ' ' GLU . 8.9 p -79.28 156.71 27.95 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.571 ' NZ ' ' O ' ' A' ' 68' ' ' GLU . 5.7 mmtm -75.56 -6.64 51.29 Favored 'General case' 0 CA--C 1.514 -0.41 0 C-N-CA 118.485 -1.286 . . . . 0.0 108.82 176.388 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . 0.252 59.6 mttm -62.49 -46.02 90.36 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 106.958 -1.497 . . . . 0.0 106.958 176.563 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.488 ' O ' ' HB3' ' A' ' 36' ' ' LEU . 33.5 mm-40 -88.61 -28.76 20.46 Favored 'General case' 0 N--CA 1.435 -1.214 0 CA-C-N 113.385 -1.734 . . . . 0.0 110.472 -177.407 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.807 HD11 HD22 ' A' ' 77' ' ' LEU . 3.3 tm? -57.27 -49.17 76.91 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.543 -0.463 . . . . 0.0 110.456 -173.345 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -66.36 -45.17 81.03 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 120.28 -0.568 . . . . 0.0 111.822 178.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.428 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 62.6 mt-10 -73.47 -45.37 54.55 Favored 'General case' 0 C--O 1.239 0.525 0 N-CA-C 113.183 0.809 . . . . 0.0 113.183 -178.732 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.615 ' HB2' ' CE1' ' A' ' 18' ' ' HIS . 0.1 OUTLIER -64.9 -43.71 91.95 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 120.996 0.426 . . . . 0.0 111.733 179.716 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.69 HD13 ' C ' ' A' ' 37' ' ' LEU . 2.8 tm? -60.97 -46.35 91.07 Favored 'General case' 0 C--N 1.316 -0.848 0 C-N-CA 120.15 -0.62 . . . . 0.0 110.208 -175.828 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.428 ' HG2' ' O ' ' A' ' 35' ' ' GLU . 4.1 pt20 -65.33 -42.29 93.09 Favored 'General case' 0 C--N 1.318 -0.789 0 C-N-CA 120.118 -0.633 . . . . 0.0 110.132 176.158 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.401 ' N ' ' HG3' ' A' ' 38' ' ' GLN . 79.3 m -64.53 -53.37 49.07 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.39 -179.355 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.437 ' OE2' ' NE2' ' A' ' 18' ' ' HIS . 1.6 mp0 -69.58 -39.36 77.36 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -177.412 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.672 HD22 HD21 ' A' ' 37' ' ' LEU . 11.1 mp -102.38 36.74 2.06 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-O 120.983 0.421 . . . . 0.0 110.655 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.0 -36.35 72.54 Favored 'General case' 0 C--N 1.306 -1.306 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.761 -176.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -66.36 -48.16 65.7 Favored Glycine 0 CA--C 1.528 0.887 0 N-CA-C 111.465 -0.654 . . . . 0.0 111.465 177.05 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.469 ' HD1' ' SD ' ' A' ' 85' ' ' MET . 20.9 m-85 -66.17 -41.19 90.68 Favored 'General case' 0 CA--C 1.498 -1.047 0 CA-C-O 121.513 0.673 . . . . 0.0 109.46 176.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.41 HD22 ' HA ' ' A' ' 38' ' ' GLN . 42.7 tp -61.16 -44.83 96.7 Favored 'General case' 0 C--N 1.303 -1.421 0 CA-C-N 114.692 -1.14 . . . . 0.0 111.111 177.707 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -54.55 -43.34 71.9 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.059 0.457 . . . . 0.0 110.26 -178.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.14 -24.22 67.61 Favored 'General case' 0 C--O 1.242 0.684 0 CA-C-N 115.353 -0.84 . . . . 0.0 112.245 -178.178 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.478 HE21 ' C ' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -142.22 44.67 1.66 Allowed 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -175.608 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.407 ' HG3' ' O ' ' A' ' 45' ' ' LEU . 35.0 mtpt -63.68 -39.25 93.86 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.84 0.352 . . . . 0.0 110.408 178.549 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -109.43 36.07 3.08 Favored 'General case' 0 C--O 1.24 0.582 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.182 -177.013 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.918 ' O ' HG12 ' A' ' 54' ' ' VAL . 54.1 t -112.08 133.78 56.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.484 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 32.4 t70 -56.31 -35.67 67.81 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.895 -173.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.417 ' H ' HG12 ' A' ' 51' ' ' VAL . . . -51.22 -41.27 60.17 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.614 -177.583 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.918 HG12 ' O ' ' A' ' 51' ' ' VAL . 13.1 p -63.15 -40.68 89.96 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 C-N-CA 120.005 -0.678 . . . . 0.0 110.651 178.738 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.576 ' HA ' ' SD ' ' A' ' 58' ' ' MET . 31.8 t70 -62.49 -43.67 98.25 Favored 'General case' 0 CA--C 1.494 -1.204 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 175.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.484 ' NZ ' ' OD2' ' A' ' 52' ' ' ASP . 36.7 mmtm -69.07 -47.89 64.11 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.172 -176.681 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.622 HG12 HD12 ' A' ' 77' ' ' LEU . 76.8 t -64.3 -47.27 90.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.043 0.449 . . . . 0.0 110.798 -179.744 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.576 ' SD ' ' HA ' ' A' ' 55' ' ' ASP . 7.2 ptm -61.6 -28.65 69.51 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.091 0.472 . . . . 0.0 110.53 178.091 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.599 ' HB2' ' NZ ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -60.98 -47.18 87.66 Favored 'General case' 0 C--O 1.217 -0.621 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.766 -177.726 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 76.4 tt0 -61.16 -41.27 96.48 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 119.956 -0.698 . . . . 0.0 109.142 -178.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.525 ' HG ' HD13 ' A' ' 77' ' ' LEU . 2.9 mm? -62.17 -42.07 98.92 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.441 174.292 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -65.2 -43.88 90.14 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.304 177.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -62.45 -42.57 99.56 Favored 'General case' 0 CA--C 1.5 -0.947 0 N-CA-C 108.49 -0.929 . . . . 0.0 108.49 175.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.519 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . 9.6 t-20 -80.9 14.24 2.3 Favored 'General case' 0 C--N 1.308 -1.215 0 CA-C-N 115.032 -0.985 . . . . 0.0 109.807 177.088 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.568 ' HA2' ' HG3' ' A' ' 30' ' ' LYS . . . -80.95 32.41 2.47 Favored Glycine 0 C--O 1.228 -0.219 0 N-CA-C 109.492 -1.443 . . . . 0.0 109.492 176.441 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.469 ' H ' ' C ' ' A' ' 64' ' ' ASN . 31.8 t70 -59.82 -41.1 90.55 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 123.281 0.632 . . . . 0.0 110.406 -178.721 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -146.5 -75.16 0.02 OUTLIER Glycine 0 C--N 1.317 -0.503 0 N-CA-C 110.659 -0.977 . . . . 0.0 110.659 179.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.571 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . 4.5 mp0 -123.12 -174.95 3.06 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.021 0.439 . . . . 0.0 110.421 -179.389 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.759 HG11 ' HB2' ' A' ' 33' ' ' LEU . 1.9 p -127.94 129.24 69.7 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.174 0 N-CA-C 107.023 -1.473 . . . . 0.0 107.023 168.349 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.598 ' CG ' ' N ' ' A' ' 71' ' ' PHE . 1.0 OUTLIER -98.06 177.2 5.49 Favored 'General case' 0 C--N 1.302 -1.467 0 C-N-CA 120.353 -0.539 . . . . 0.0 110.03 -178.493 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.605 ' O ' HG22 ' A' ' 75' ' ' VAL . 47.4 t80 -58.12 -42.1 85.06 Favored 'General case' 0 C--N 1.31 -1.152 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 -178.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -60.81 -41.95 96.7 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.213 178.52 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.755 ' HB2' HG23 ' A' ' 69' ' ' VAL . 77.6 mt-10 -68.16 -40.28 82.37 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 119.741 -0.784 . . . . 0.0 109.387 173.395 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -61.86 -47.56 84.49 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.17 -0.923 . . . . 0.0 112.327 -176.069 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.872 HG21 ' CB ' ' B' ' 79' ' ' ALA . 16.6 m -64.88 -40.68 89.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 C-N-CA 120.527 -0.469 . . . . 0.0 111.988 -177.779 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.455 HG22 ' O ' ' A' ' 73' ' ' GLU . 33.3 m -64.69 -39.9 87.21 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.825 0 C-N-CA 120.641 -0.424 . . . . 0.0 110.792 179.827 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.807 HD22 HD11 ' A' ' 33' ' ' LEU . 59.2 tp -61.46 -48.95 78.77 Favored 'General case' 0 CA--C 1.509 -0.625 0 CA-C-O 120.89 0.376 . . . . 0.0 109.994 -179.463 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.669 HG12 HD23 ' A' ' 37' ' ' LEU . 8.2 m -68.59 -43.29 83.58 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.044 0 C-N-CA 120.082 -0.647 . . . . 0.0 110.4 177.674 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.819 ' CB ' HG21 ' B' ' 75' ' ' VAL . . . -62.22 -47.75 83.02 Favored 'General case' 0 CA--C 1.511 -0.526 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.419 179.7 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.92 -46.86 84.35 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.508 ' CD1' HD11 ' A' ' 37' ' ' LEU . 96.2 mt -63.46 -41.93 98.61 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.825 175.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.456 HG21 ' HB3' ' B' ' 8' ' ' MET . 97.7 m -60.94 -51.03 71.01 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.201 -177.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 14.7 p -63.82 -43.08 97.77 Favored 'Isoleucine or valine' 0 C--O 1.237 0.407 0 C-N-CA 120.148 -0.621 . . . . 0.0 110.229 179.21 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.56 -50.32 73.49 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 120.424 -0.511 . . . . 0.0 109.809 177.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.469 ' SD ' ' HD1' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -66.63 -44.62 81.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.892 0.377 . . . . 0.0 111.101 177.415 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.434 ' O ' ' HB2' ' A' ' 89' ' ' PHE . 9.0 m120 -65.11 -21.4 66.79 Favored 'General case' 0 CA--C 1.511 -0.543 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.578 -177.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -57.88 -39.61 78.25 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 175.095 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -63.42 -35.11 79.32 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.19 177.194 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.434 ' HB2' ' O ' ' A' ' 86' ' ' ASN . 7.7 m-85 -55.84 -48.32 75.71 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 119.982 -0.687 . . . . 0.0 109.856 -179.061 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.513 ' NE1' ' CE1' ' B' ' 16' ' ' HIS . 29.2 m95 . . . . . 0 C--N 1.314 -0.964 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.986 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . 0.411 ' O ' ' HB2' ' B' ' 5' ' ' GLU . 4.3 m . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -57.89 -32.53 67.81 Favored 'General case' 0 CA--C 1.509 -0.633 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 178.529 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.693 ' CD1' HG22 ' A' ' 10' ' ' THR . 0.4 OUTLIER -60.48 -42.18 95.75 Favored 'General case' 0 CA--C 1.506 -0.737 0 N-CA-C 107.821 -1.177 . . . . 0.0 107.821 177.303 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . 0.411 ' HB2' ' O ' ' B' ' 2' ' ' SER . 49.3 mt-10 -63.73 -41.91 97.99 Favored 'General case' 0 N--CA 1.436 -1.164 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.079 177.415 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . 0.443 ' O ' ' N ' ' B' ' 10' ' ' THR . 7.5 m -60.46 -45.41 93.78 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 174.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.758 ' HB1' ' HB1' ' A' ' 7' ' ' ALA . . . -59.1 -45.71 90.16 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.915 178.381 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . 0.597 ' SD ' HD11 ' A' ' 11' ' ' LEU . 95.5 mmm -64.4 -39.82 94.6 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.549 -0.461 . . . . 0.0 110.206 177.613 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 64.2 mt-10 -63.13 -37.77 88.54 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 120.207 -0.597 . . . . 0.0 109.418 173.238 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.498 HG22 ' CD1' ' A' ' 4' ' ' LEU . 7.2 m -59.25 -44.32 92.38 Favored 'General case' 0 N--CA 1.445 -0.717 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 178.549 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.615 HD11 ' SD ' ' A' ' 8' ' ' MET . 95.3 mt -63.01 -41.94 99.7 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.997 174.448 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.459 HG23 ' CD2' ' B' ' 16' ' ' HIS . 15.4 mm -62.21 -44.15 98.75 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 179.483 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 24.7 m-80 -61.37 -43.87 98.14 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.368 -178.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 56.9 t -66.24 -48.04 82.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 C-N-CA 120.34 -0.544 . . . . 0.0 110.362 175.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.51 ' CE2' ' HB3' ' B' ' 28' ' ' LEU . 56.8 t80 -59.13 -48.6 81.01 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.599 -179.061 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.537 ' CE1' ' CB ' ' B' ' 26' ' ' TYR . 12.5 m-70 -67.9 -35.02 77.75 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.853 -177.755 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.37 -45.73 93.18 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.854 179.692 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.489 ' CD2' HD22 ' B' ' 36' ' ' LEU . 89.6 m-70 -65.56 -29.69 70.34 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.029 179.274 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.578 ' HB3' ' O ' ' B' ' 25' ' ' LYS . 14.7 m -49.86 -31.32 11.72 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.364 -177.133 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -54.45 -32.75 52.9 Favored Glycine 0 C--N 1.32 -0.325 0 N-CA-C 110.258 -1.137 . . . . 0.0 110.258 179.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . 0.475 ' HD2' ' H ' ' B' ' 21' ' ' LYS . 0.2 OUTLIER -63.31 -45.08 93.01 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.108 176.006 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 70.6 tt0 -70.74 -44.91 65.81 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 121.027 0.441 . . . . 0.0 111.6 176.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.64 -3.85 62.4 Favored Glycine 0 CA--C 1.537 1.41 0 CA-C-N 116.079 -0.509 . . . . 0.0 113.501 177.031 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 54.9 t0 -58.38 -51.33 70.27 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 178.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.578 ' O ' ' HB3' ' B' ' 19' ' ' SER . 55.9 pttt 164.16 -128.46 0.0 OUTLIER 'General case' 0 C--N 1.309 -1.176 0 C-N-CA 126.134 1.774 . . . . 0.0 106.912 174.771 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.537 ' CB ' ' CE1' ' B' ' 16' ' ' HIS . 0.9 OUTLIER -74.92 92.2 2.54 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 118.263 -1.375 . . . . 0.0 108.109 170.315 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.439 ' O ' ' HA ' ' B' ' 19' ' ' SER . 4.7 mmmm -153.94 162.44 41.22 Favored 'General case' 0 CA--C 1.507 -0.688 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.803 -175.196 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.649 HD11 ' HB2' ' B' ' 32' ' ' GLU . 44.2 tp -135.27 134.67 40.2 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-O 121.293 0.568 . . . . 0.0 110.598 172.645 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -110.57 169.3 8.84 Favored 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 176.122 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.491 ' O ' ' NZ ' ' B' ' 34' ' ' LYS . 0.1 OUTLIER -64.31 -3.48 2.91 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-O 121.07 0.462 . . . . 0.0 111.062 -176.552 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.522 ' O ' ' NZ ' ' B' ' 34' ' ' LYS . 41.5 mttm -60.76 -71.84 0.13 Allowed 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 179.371 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.649 ' HB2' HD11 ' B' ' 28' ' ' LEU . 36.7 mm-40 -75.71 -39.99 56.45 Favored 'General case' 0 N--CA 1.441 -0.876 0 CA-C-N 114.148 -1.387 . . . . 0.0 111.772 -177.626 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.663 HD11 ' CD2' ' B' ' 77' ' ' LEU . 2.8 tm? -44.29 -57.5 3.45 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 116.146 -0.479 . . . . 0.0 112.107 -171.101 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.522 ' NZ ' ' O ' ' B' ' 31' ' ' LYS . 23.0 pttm -61.53 -46.56 89.44 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-O 120.91 0.386 . . . . 0.0 111.63 -178.265 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -67.97 -45.49 74.05 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.999 0.428 . . . . 0.0 111.093 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.492 HD12 ' C ' ' B' ' 36' ' ' LEU . 0.1 OUTLIER -63.82 -43.49 96.06 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.021 -0.536 . . . . 0.0 112.304 177.728 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.651 HD13 ' C ' ' B' ' 37' ' ' LEU . 2.8 tm? -61.18 -47.71 84.93 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 120.646 -0.422 . . . . 0.0 111.303 -176.072 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.475 ' HG3' ' N ' ' B' ' 39' ' ' THR . 15.4 pt20 -64.76 -40.58 95.53 Favored 'General case' 0 C--N 1.315 -0.896 0 C-N-CA 119.869 -0.732 . . . . 0.0 109.669 177.729 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.475 ' N ' ' HG3' ' B' ' 38' ' ' GLN . 96.6 m -62.61 -51.98 65.19 Favored 'General case' 0 N--CA 1.441 -0.911 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.272 -177.798 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -73.17 -41.24 64.1 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.419 -0.512 . . . . 0.0 111.931 -176.401 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 9.8 mp -102.69 30.5 4.66 Favored 'General case' 0 C--O 1.238 0.473 0 N-CA-C 112.497 0.555 . . . . 0.0 112.497 -176.357 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 23.2 m -51.97 -38.79 57.88 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 120.429 -0.508 . . . . 0.0 109.902 178.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -62.35 -50.7 62.39 Favored Glycine 0 N--CA 1.453 -0.183 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 178.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.519 ' CE2' ' HA ' ' B' ' 82' ' ' THR . 19.3 m-85 -62.41 -45.79 91.53 Favored 'General case' 0 CA--C 1.509 -0.617 0 CA-C-O 121.084 0.468 . . . . 0.0 110.097 176.575 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.497 ' O ' HD12 ' B' ' 45' ' ' LEU . 2.7 tp -61.04 -48.74 80.38 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.088 178.192 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -65.76 -41.45 92.07 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-O 120.68 0.276 . . . . 0.0 111.602 176.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . 0.682 ' HB3' ' SD ' ' B' ' 85' ' ' MET . . . -63.52 -41.66 98.49 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.873 -176.454 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.422 ' NE2' ' HB ' ' B' ' 54' ' ' VAL . 0.0 OUTLIER -117.94 30.28 7.34 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.856 0.36 . . . . 0.0 111.196 -177.749 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' B' ' 45' ' ' LEU . 59.0 tttp -61.48 -42.7 99.18 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.345 -176.611 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -64.54 -27.96 69.32 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.007 -177.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 58.5 t -63.74 130.5 28.66 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 -176.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.498 ' OD2' ' NZ ' ' B' ' 56' ' ' LYS . 37.4 t70 -60.72 -36.68 79.44 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.027 -178.331 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.425 ' O ' HG23 ' B' ' 57' ' ' VAL . . . -53.6 -28.36 31.97 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.297 179.6 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.463 ' CG1' ' N ' ' B' ' 55' ' ' ASP . 0.3 OUTLIER -59.15 -47.49 90.01 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 C-N-CA 119.929 -0.709 . . . . 0.0 109.149 178.296 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.494 ' OD2' ' NZ ' ' B' ' 59' ' ' LYS . 28.5 t70 -63.82 -44.95 91.7 Favored 'General case' 0 CA--C 1.492 -1.281 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 175.497 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . 0.498 ' NZ ' ' OD2' ' B' ' 52' ' ' ASP . 41.6 mmtm -63.59 -42.33 98.28 Favored 'General case' 0 N--CA 1.437 -1.125 0 CA-C-N 115.106 -0.952 . . . . 0.0 111.19 -172.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.592 HG12 HD12 ' B' ' 77' ' ' LEU . 98.2 t -61.05 -45.7 98.07 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 C-N-CA 119.39 -0.924 . . . . 0.0 108.879 176.018 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 13.2 mmm -61.12 -42.49 98.64 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 177.142 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . 0.494 ' NZ ' ' OD2' ' B' ' 55' ' ' ASP . 1.1 tppm? -65.36 -44.93 86.08 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.138 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . 0.413 ' HG3' ' O ' ' B' ' 56' ' ' LYS . 96.2 mt-10 -66.31 -40.92 90.27 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.321 -178.674 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.668 HD13 ' OD1' ' B' ' 64' ' ' ASN . 2.6 mm? -76.92 -7.81 56.23 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.983 -177.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -63.59 -35.65 81.2 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 173.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -61.81 -37.74 85.52 Favored 'General case' 0 CA--C 1.508 -0.642 0 CA-C-N 115.342 -0.844 . . . . 0.0 109.708 177.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . 0.668 ' OD1' HD13 ' B' ' 61' ' ' LEU . 12.2 m120 -62.72 -14.59 46.14 Favored 'General case' 0 C--N 1.308 -1.218 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.511 -179.339 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . 0.446 ' N ' ' HE3' ' B' ' 30' ' ' LYS . . . -73.14 29.69 0.8 Allowed Glycine 0 CA--C 1.527 0.791 0 N-CA-C 110.226 -1.15 . . . . 0.0 110.226 173.279 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.549 ' H ' ' C ' ' B' ' 64' ' ' ASN . 24.2 t70 -60.12 -40.45 89.78 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-O 121.335 0.588 . . . . 0.0 109.761 -179.417 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -151.88 -59.76 0.01 OUTLIER Glycine 0 C--N 1.316 -0.582 0 N-CA-C 108.795 -1.722 . . . . 0.0 108.795 175.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -136.45 173.47 11.67 Favored 'General case' 0 C--N 1.315 -0.892 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 173.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.457 HG23 ' HB3' ' B' ' 73' ' ' GLU . 2.5 p -120.79 124.17 71.8 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.988 0 N-CA-C 107.805 -1.184 . . . . 0.0 107.805 172.653 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.12 -178.52 5.0 Favored 'General case' 0 C--N 1.316 -0.879 0 C-N-CA 119.592 -0.843 . . . . 0.0 111.746 -174.035 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -60.05 -44.23 94.83 Favored 'General case' 0 C--N 1.308 -1.197 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.457 -178.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.444 ' NE2' HG12 ' A' ' 76' ' ' VAL . 0.0 OUTLIER -58.45 -44.46 89.24 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.33 178.332 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.559 ' O ' HG22 ' B' ' 76' ' ' VAL . 97.3 mt-10 -69.85 -35.82 75.04 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.407 0.622 . . . . 0.0 110.768 176.546 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 30.4 t80 -60.98 -46.04 92.33 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.492 177.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.819 HG21 ' CB ' ' A' ' 79' ' ' ALA . 35.8 m -64.57 -38.15 81.89 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.326 0 C-N-CA 120.403 -0.519 . . . . 0.0 112.079 -176.649 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.559 HG22 ' O ' ' B' ' 73' ' ' GLU . 26.9 m -63.6 -38.89 83.44 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.635 0 C-N-CA 120.096 -0.642 . . . . 0.0 111.083 -179.453 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.663 ' CD2' HD11 ' B' ' 33' ' ' LEU . 44.5 tp -61.32 -48.15 82.67 Favored 'General case' 0 CA--C 1.515 -0.377 0 C-N-CA 120.491 -0.483 . . . . 0.0 110.542 179.742 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.436 HG12 ' CD2' ' B' ' 37' ' ' LEU . 34.7 m -69.89 -45.42 76.98 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 C-N-CA 119.849 -0.74 . . . . 0.0 110.685 174.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.872 ' CB ' HG21 ' A' ' 75' ' ' VAL . . . -62.07 -46.62 88.3 Favored 'General case' 0 CA--C 1.509 -0.616 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -178.334 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.62 -41.65 90.9 Favored 'General case' 0 N--CA 1.446 -0.647 0 C-N-CA 120.31 -0.556 . . . . 0.0 109.631 -177.365 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.4 HD22 HG23 ' B' ' 54' ' ' VAL . 96.5 mt -65.13 -41.39 94.86 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.423 0.63 . . . . 0.0 109.469 173.019 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.531 HG21 ' HB3' ' A' ' 8' ' ' MET . 21.1 m -61.35 -50.2 73.87 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.682 -178.494 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.435 ' HA ' ' HB3' ' B' ' 86' ' ' ASN . 14.8 p -63.55 -42.16 95.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 C-N-CA 120.376 -0.529 . . . . 0.0 109.793 178.128 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.48 -52.63 64.62 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.36 178.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 85' ' ' MET . . . . . 0.682 ' SD ' ' HB3' ' B' ' 47' ' ' ALA . 37.3 ttp -65.93 -38.99 90.09 Favored 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 177.76 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.513 HD21 ' CD2' ' A' ' 16' ' ' HIS . 26.4 t30 -59.03 -41.41 87.71 Favored 'General case' 0 CA--C 1.508 -0.641 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.825 179.094 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.34 -42.93 96.71 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 178.182 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -67.88 -33.38 74.63 Favored 'General case' 0 C--O 1.215 -0.735 0 CA-C-N 115.417 -0.81 . . . . 0.0 111.881 174.075 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . 0.467 ' HB2' ' HA ' ' B' ' 86' ' ' ASN . 3.9 t80 . . . . . 0 C--N 1.316 -0.88 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 -173.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 0.344 0 N-CA-C 110.748 -0.941 . . . . 0.0 110.748 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.6 m -67.25 159.03 30.0 Favored 'General case' 0 C--O 1.248 0.989 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 179.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -57.61 -43.66 84.89 Favored 'General case' 0 CA--C 1.51 -0.582 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.887 HD13 ' CD2' ' B' ' 11' ' ' LEU . 0.2 OUTLIER -61.2 -44.18 97.7 Favored 'General case' 0 CA--C 1.5 -0.964 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.303 177.883 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -61.8 -45.91 91.8 Favored 'General case' 0 N--CA 1.432 -1.339 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.0 m -64.29 -48.95 73.71 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.707 175.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.29 -48.8 80.27 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.944 0.402 . . . . 0.0 110.642 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.513 ' HG2' ' O ' ' A' ' 4' ' ' LEU . 97.5 mmm -64.41 -40.58 96.06 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.652 -179.173 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.423 ' O ' ' HB ' ' A' ' 12' ' ' ILE . 91.4 mt-10 -65.14 -36.75 85.24 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.236 -0.586 . . . . 0.0 110.588 175.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 19.3 m -59.52 -42.07 91.4 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 176.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.662 HD23 HD12 ' B' ' 4' ' ' LEU . 89.3 mt -61.66 -40.55 95.32 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 173.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.51 HD13 ' CD1' ' A' ' 71' ' ' PHE . 19.4 mm -62.01 -43.73 98.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.811 178.183 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 -60.73 -45.46 94.2 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 120.659 -0.416 . . . . 0.0 109.984 -177.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 1.064 HG21 HD21 ' B' ' 4' ' ' LEU . 53.3 t -65.09 -45.37 94.48 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.685 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.344 175.539 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.477 ' CE1' ' HB2' ' A' ' 28' ' ' LEU . 83.9 t80 -59.29 -47.58 84.84 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 177.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -58.43 -42.64 87.76 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.966 176.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.79 -50.15 73.18 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.564 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.598 ' CD2' HD13 ' A' ' 36' ' ' LEU . 88.1 m-70 -69.23 -40.68 77.79 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.538 178.341 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 36.0 m -57.48 -39.2 75.87 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 120.059 -0.656 . . . . 0.0 109.676 178.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.22 -43.07 98.83 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 109.662 -1.375 . . . . 0.0 109.662 175.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -67.06 -44.34 80.39 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 121.263 -0.175 . . . . 0.0 111.367 178.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.76 -35.51 80.27 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 120.235 -0.586 . . . . 0.0 110.892 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 119.2 -23.55 8.55 Favored Glycine 0 N--CA 1.461 0.348 0 C-N-CA 121.383 -0.437 . . . . 0.0 113.272 172.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -69.6 150.62 46.87 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 117.639 0.719 . . . . 0.0 110.715 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 35.3 pttt -60.33 -34.82 74.37 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 176.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.584 ' CG ' ' CE3' ' B' ' 90' ' ' TRP . 2.0 p90 -168.12 90.67 0.3 Allowed 'General case' 0 N--CA 1.446 -0.655 0 CA-C-O 121.775 0.798 . . . . 0.0 110.913 169.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.575 ' CE ' ' HB3' ' A' ' 70' ' ' ASP . 29.4 mmmt -164.44 165.69 21.24 Favored 'General case' 0 C--N 1.313 -1.005 0 N-CA-C 105.904 -1.887 . . . . 0.0 105.904 171.624 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.574 ' HB3' ' O ' ' A' ' 69' ' ' VAL . 31.4 tp -124.72 125.46 44.11 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 175.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.1 m -82.0 157.48 24.2 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 177.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.469 ' HD3' HG12 ' A' ' 69' ' ' VAL . 20.0 mmtp -65.73 -5.88 9.97 Favored 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 120.3 -0.56 . . . . 0.0 109.774 179.514 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 62.7 mttm -63.19 -46.05 88.91 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.517 ' HB2' HD11 ' A' ' 28' ' ' LEU . 58.9 mm-40 -89.05 -38.04 14.69 Favored 'General case' 0 N--CA 1.44 -0.944 0 CA-C-N 113.65 -1.613 . . . . 0.0 111.701 -175.56 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.827 HD11 ' CD2' ' A' ' 77' ' ' LEU . 3.2 tm? -56.99 -45.16 83.17 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.74 -0.664 . . . . 0.0 112.04 -167.322 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.56 -44.69 89.92 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 118.819 -1.152 . . . . 0.0 109.843 178.616 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.434 ' O ' ' OG1' ' A' ' 39' ' ' THR . 76.9 mt-10 -64.99 -46.54 81.03 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 179.429 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.598 HD13 ' CD2' ' A' ' 18' ' ' HIS . 4.4 tp -62.07 -51.47 67.84 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.176 -0.92 . . . . 0.0 111.774 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.789 HD21 HD12 ' A' ' 81' ' ' LEU . 2.7 tm? -63.97 -46.09 86.21 Favored 'General case' 0 C--N 1.305 -1.352 0 C-N-CA 119.483 -0.887 . . . . 0.0 111.83 -175.708 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -66.71 -39.2 87.93 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.302 -0.559 . . . . 0.0 110.714 178.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.434 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 59.6 m -70.56 -60.23 2.38 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.386 -177.413 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.445 ' CD ' HD12 ' A' ' 36' ' ' LEU . 14.9 mp0 -62.87 -36.81 84.5 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 -176.079 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.489 HD22 HD21 ' A' ' 37' ' ' LEU . 10.2 mp -99.46 39.36 1.31 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.776 0.322 . . . . 0.0 110.777 178.176 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 60.4 m -57.89 -44.55 86.81 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 120.209 -0.596 . . . . 0.0 111.594 -175.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -66.74 -43.64 91.33 Favored Glycine 0 C--N 1.32 -0.356 0 N-CA-C 111.231 -0.747 . . . . 0.0 111.231 179.161 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -64.3 -45.87 86.05 Favored 'General case' 0 CA--C 1.496 -1.099 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 178.125 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.489 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 40.5 tp -62.03 -47.14 86.08 Favored 'General case' 0 N--CA 1.429 -1.48 0 CA-C-N 114.831 -1.077 . . . . 0.0 111.09 176.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.508 ' HA ' ' HE3' ' A' ' 49' ' ' LYS . 28.4 t70 -62.09 -36.79 82.77 Favored 'General case' 0 CA--C 1.506 -0.722 0 CA-C-O 120.857 0.36 . . . . 0.0 110.264 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.411 ' HB3' ' HG3' ' A' ' 85' ' ' MET . . . -63.39 -25.0 68.09 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.339 176.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.559 ' NE2' ' HB ' ' A' ' 54' ' ' VAL . 0.0 OUTLIER -147.83 46.57 1.1 Allowed 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 -175.066 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.508 ' HE3' ' HA ' ' A' ' 46' ' ' ASP . 76.5 mttt -62.78 -44.11 97.04 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 120.995 0.426 . . . . 0.0 111.076 176.491 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -82.04 -8.7 59.68 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.75 -0.659 . . . . 0.0 112.4 -175.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.827 ' O ' HG12 ' A' ' 54' ' ' VAL . 72.9 t -68.2 135.96 27.43 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 -178.244 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.479 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 34.4 t70 -59.99 -36.31 76.9 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 120.991 0.424 . . . . 0.0 110.935 -175.377 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.564 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -52.77 -42.51 65.08 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.425 -177.034 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.827 HG12 ' O ' ' A' ' 51' ' ' VAL . 7.2 p -60.28 -38.31 76.98 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.301 0 C-N-CA 119.671 -0.812 . . . . 0.0 111.207 -179.097 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -60.73 -54.26 47.44 Favored 'General case' 0 CA--C 1.509 -0.619 0 CA-C-O 121.684 0.754 . . . . 0.0 109.944 178.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.479 ' NZ ' ' OD2' ' A' ' 52' ' ' ASP . 61.7 mttp -65.82 -42.41 90.63 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-N 114.785 -1.098 . . . . 0.0 111.253 -179.739 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 53' ' ' ALA . 55.8 t -63.33 -45.13 98.98 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 179.067 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 45.3 ttm -61.05 -48.62 80.91 Favored 'General case' 0 N--CA 1.432 -1.326 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.407 177.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.7 tttm -72.3 -44.68 62.37 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 113.792 1.034 . . . . 0.0 113.792 -177.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -52.06 -18.24 1.35 Allowed 'General case' 0 C--N 1.31 -1.131 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -176.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.604 ' HG ' HD13 ' A' ' 77' ' ' LEU . 2.3 mm? -80.8 -7.65 59.47 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.102 176.112 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 65' ' ' GLY . 59.9 m-20 -61.95 -35.79 79.51 Favored 'General case' 0 CA--C 1.509 -0.607 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 175.414 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -59.49 -36.04 75.27 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 176.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.425 ' O ' ' HE3' ' A' ' 30' ' ' LYS . 4.8 m-20 -84.1 9.79 11.72 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.206 174.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . -89.0 13.03 64.26 Favored Glycine 0 N--CA 1.452 -0.299 0 N-CA-C 108.377 -1.889 . . . . 0.0 108.377 172.166 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -55.98 -44.33 78.45 Favored 'General case' 0 CA--C 1.509 -0.615 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 -179.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -140.74 -69.48 0.04 OUTLIER Glycine 0 C--N 1.312 -0.773 0 N-CA-C 108.737 -1.745 . . . . 0.0 108.737 175.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.499 ' N ' ' CD ' ' A' ' 68' ' ' GLU . 0.5 OUTLIER -143.55 -179.12 6.24 Favored 'General case' 0 C--N 1.314 -0.935 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 175.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.846 HG23 ' CB ' ' A' ' 73' ' ' GLU . 2.0 p -126.64 136.1 61.79 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.248 0 N-CA-C 106.94 -1.504 . . . . 0.0 106.94 176.053 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.575 ' HB3' ' CE ' ' A' ' 27' ' ' LYS . 1.4 p30 -122.79 -161.63 0.96 Allowed 'General case' 0 CA--C 1.494 -1.181 0 C-N-CA 119.751 -0.779 . . . . 0.0 112.786 -179.216 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.801 ' O ' HG22 ' A' ' 75' ' ' VAL . 45.7 t80 -59.0 -44.58 91.7 Favored 'General case' 0 C--N 1.31 -1.121 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 -173.113 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.478 ' HG3' HG11 ' B' ' 83' ' ' VAL . 36.9 mt-30 -61.09 -44.86 96.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.187 177.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.846 ' CB ' HG23 ' A' ' 69' ' ' VAL . 2.1 mp0 -69.68 -42.07 74.64 Favored 'General case' 0 CA--C 1.548 0.891 0 CA-C-O 121.46 0.648 . . . . 0.0 110.438 176.638 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.545 ' CE1' HD21 ' A' ' 36' ' ' LEU . 31.4 t80 -62.68 -47.89 81.71 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 115.586 -0.734 . . . . 0.0 112.549 -177.049 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.827 HG21 ' CB ' ' B' ' 79' ' ' ALA . 13.2 m -61.7 -42.94 96.22 Favored 'Isoleucine or valine' 0 C--O 1.237 0.415 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -176.546 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 8.2 p -63.52 -39.3 84.82 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.735 0 C-N-CA 120.099 -0.64 . . . . 0.0 110.358 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.827 ' CD2' HD11 ' A' ' 33' ' ' LEU . 53.5 tp -62.1 -48.04 81.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.948 -178.428 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.702 HG12 HD23 ' A' ' 37' ' ' LEU . 9.5 m -68.66 -41.81 82.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 C-N-CA 120.025 -0.67 . . . . 0.0 110.528 177.124 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.917 ' CB ' HG21 ' B' ' 75' ' ' VAL . . . -62.43 -40.0 95.17 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.737 178.713 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.92 -47.35 83.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.233 0.54 . . . . 0.0 109.647 179.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.789 HD12 HD21 ' A' ' 37' ' ' LEU . 97.5 mt -63.59 -40.89 98.09 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.818 175.063 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.423 HG21 ' HB3' ' B' ' 8' ' ' MET . 20.9 m -60.08 -50.19 74.67 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.395 -178.185 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.594 HG23 ' HH2' ' A' ' 90' ' ' TRP . 10.4 p -62.77 -42.65 97.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 C-N-CA 120.367 -0.533 . . . . 0.0 110.315 178.019 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -58.39 -50.85 72.2 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-O 120.965 0.412 . . . . 0.0 110.149 177.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.411 ' HG3' ' HB3' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -70.91 -46.87 61.76 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.277 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.496 ' O ' ' HB2' ' A' ' 89' ' ' PHE . 9.5 m120 -66.9 -21.72 65.99 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.556 -178.577 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.552 ' HA ' ' CE3' ' A' ' 90' ' ' TRP . 20.7 t-20 -56.52 -38.55 71.98 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 174.552 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -63.8 -38.0 89.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.551 174.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.496 ' HB2' ' O ' ' A' ' 86' ' ' ASN . 7.2 m-85 -57.89 -46.13 85.36 Favored 'General case' 0 CA--C 1.508 -0.656 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.681 179.381 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.594 ' HH2' HG23 ' A' ' 83' ' ' VAL . 2.0 m0 -73.21 -52.56 13.61 Favored 'General case' 0 C--N 1.308 -1.219 0 CA-C-O 121.335 0.588 . . . . 0.0 110.4 -176.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -71.49 -46.81 58.79 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.356 -0.838 . . . . 0.0 112.336 -175.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 60.5 t-20 -95.33 99.98 11.83 Favored 'General case' 0 CA--C 1.506 -0.737 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 175.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.409 ' OG ' ' O ' ' A' ' 89' ' ' PHE . 3.2 m . . . . . 0 C--O 1.204 -1.294 0 C-N-CA 123.866 0.867 . . . . 0.0 108.744 -174.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.779 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 3.9 m -70.58 177.95 3.24 Favored 'General case' 0 C--O 1.247 0.971 0 C-N-CA 123.237 0.615 . . . . 0.0 111.103 -177.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.477 ' H ' ' CD ' ' B' ' 3' ' ' GLU . 1.8 mp0 -57.62 -41.04 80.5 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 1.064 HD21 HG21 ' A' ' 14' ' ' VAL . 1.4 mm? -62.14 -43.51 98.67 Favored 'General case' 0 CA--C 1.503 -0.83 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 178.46 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.449 ' CG ' ' HA ' ' A' ' 41' ' ' LEU . 43.6 mt-10 -62.96 -42.64 99.88 Favored 'General case' 0 N--CA 1.437 -1.078 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 -179.744 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 7.2 m -61.52 -46.31 90.52 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.25 -0.887 . . . . 0.0 109.028 174.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.27 -47.09 84.72 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.796 178.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . 0.662 ' SD ' HD12 ' B' ' 11' ' ' LEU . 96.2 mmm -63.61 -40.67 97.52 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.691 179.074 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -62.67 -38.7 91.4 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 119.673 -0.811 . . . . 0.0 109.201 174.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 7.6 m -58.95 -43.17 91.2 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 177.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.887 ' CD2' HD13 ' A' ' 4' ' ' LEU . 97.6 mt -62.41 -42.06 99.15 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 176.42 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.487 HD13 ' CD1' ' B' ' 71' ' ' PHE . 21.2 mm -63.04 -44.61 99.7 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -61.64 -42.67 99.22 Favored 'General case' 0 CA--C 1.503 -0.842 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.883 -177.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.71 HG21 HD21 ' A' ' 4' ' ' LEU . 70.1 t -64.87 -44.93 96.21 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.678 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.915 175.297 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -58.06 -47.49 82.99 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 178.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -63.99 -37.6 88.02 Favored 'General case' 0 C--O 1.24 0.59 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.772 176.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.529 ' O ' ' HG2' ' B' ' 21' ' ' LYS . . . -53.62 -34.34 58.14 Favored 'General case' 0 CA--C 1.511 -0.526 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 179.128 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.518 ' NE2' HD13 ' B' ' 36' ' ' LEU . 94.6 m-70 -88.51 -35.6 16.89 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 179.626 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 68.9 m -54.92 -40.05 69.47 Favored 'General case' 0 C--O 1.242 0.672 0 CA-C-O 121.265 0.555 . . . . 0.0 109.666 178.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.62 -38.23 95.95 Favored Glycine 0 N--CA 1.45 -0.43 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 178.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.529 ' HG2' ' O ' ' B' ' 17' ' ' ALA . 15.6 mmtp -64.3 -48.66 74.82 Favored 'General case' 0 C--O 1.238 0.5 0 CA-C-O 121.059 0.457 . . . . 0.0 109.875 -177.549 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.596 ' CD ' ' H ' ' B' ' 29' ' ' SER . 99.1 mt-10 -69.73 -40.38 76.25 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.128 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 113.52 47.89 0.62 Allowed Glycine 0 CA--C 1.516 0.098 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.853 175.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -131.27 149.4 52.58 Favored 'General case' 0 CA--C 1.509 -0.606 0 CA-C-N 116.785 0.292 . . . . 0.0 110.34 176.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.4 ' HE2' ' CZ ' ' B' ' 26' ' ' TYR . 20.7 pttm -61.86 -39.8 93.15 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 177.176 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.465 ' CG ' ' CE3' ' A' ' 90' ' ' TRP . 1.6 p90 -162.4 93.76 0.86 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.961 171.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.478 ' NZ ' ' OE1' ' B' ' 68' ' ' GLU . 2.2 mmtm -163.64 158.68 20.8 Favored 'General case' 0 CA--C 1.498 -1.054 0 CA-C-N 115.171 -0.922 . . . . 0.0 109.056 172.464 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.527 HD21 HD23 ' B' ' 33' ' ' LEU . 45.8 tp -126.04 136.6 53.13 Favored 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 172.163 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.596 ' H ' ' CD ' ' B' ' 22' ' ' GLU . 1.4 m -106.33 167.59 9.72 Favored 'General case' 0 C--N 1.305 -1.34 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 179.182 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.462 ' NZ ' ' O ' ' B' ' 61' ' ' LEU . 13.5 mmmm -66.93 -3.28 6.64 Favored 'General case' 0 C--N 1.313 -0.982 0 C-N-CA 120.124 -0.63 . . . . 0.0 111.763 -176.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.451 ' HD2' ' HG2' ' B' ' 22' ' ' GLU . 0.5 OUTLIER -81.92 -60.8 2.11 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -178.834 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.49 ' O ' ' HB3' ' B' ' 36' ' ' LEU . 58.2 mm-40 -65.76 -35.96 82.21 Favored 'General case' 0 CA--C 1.507 -0.682 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 175.443 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.887 HD21 HD23 ' B' ' 77' ' ' LEU . 2.4 tm? -56.84 -44.4 82.08 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.756 -171.48 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.427 ' HG3' ' O ' ' B' ' 30' ' ' LYS . 46.8 mttp -62.56 -45.61 92.15 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 119.668 -0.813 . . . . 0.0 109.38 -178.48 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -70.04 -42.97 72.2 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 114.789 -1.096 . . . . 0.0 109.99 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.778 HD21 ' CE1' ' B' ' 74' ' ' TYR . 2.5 tp -60.6 -47.53 85.81 Favored 'General case' 0 C--N 1.309 -1.17 0 CA-C-N 115.428 -0.805 . . . . 0.0 111.435 178.518 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.694 HD23 HG12 ' B' ' 78' ' ' VAL . 2.8 tm? -62.78 -45.96 90.2 Favored 'General case' 0 C--N 1.314 -0.946 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.895 -177.541 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.417 ' HG3' ' N ' ' B' ' 39' ' ' THR . 13.8 pt20 -65.81 -40.12 91.57 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.071 -0.652 . . . . 0.0 110.515 176.206 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.417 ' N ' ' HG3' ' B' ' 38' ' ' GLN . 79.3 m -62.25 -52.32 64.21 Favored 'General case' 0 C--O 1.241 0.625 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.271 -176.464 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.509 ' HB3' ' HB2' ' A' ' 4' ' ' LEU . 76.2 mm-40 -71.92 -43.93 64.49 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 -178.192 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.408 ' HB3' ' HB2' ' B' ' 44' ' ' PHE . 10.7 mp -95.43 40.23 1.11 Allowed 'General case' 0 C--N 1.308 -1.207 0 CA-C-O 121.056 0.455 . . . . 0.0 111.008 -178.197 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 55.8 m -52.58 -42.01 64.13 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.479 179.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.78 -47.07 57.92 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.562 -0.615 . . . . 0.0 111.562 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.578 ' HA ' ' SD ' ' B' ' 85' ' ' MET . 77.2 m-85 -68.26 -40.65 81.83 Favored 'General case' 0 CA--C 1.499 -0.982 0 CA-C-O 121.323 0.582 . . . . 0.0 110.226 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.542 ' O ' HD12 ' B' ' 45' ' ' LEU . 6.6 tp -60.23 -48.61 81.01 Favored 'General case' 0 N--CA 1.435 -1.205 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.255 -178.625 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -67.39 -38.29 84.45 Favored 'General case' 0 C--N 1.309 -1.18 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -178.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . 0.869 ' HB3' ' SD ' ' B' ' 85' ' ' MET . . . -65.16 -41.51 94.61 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.557 0.577 . . . . 0.0 112.557 -176.022 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.546 ' HB2' ' HB ' ' B' ' 51' ' ' VAL . 0.7 OUTLIER -117.49 48.56 1.33 Allowed 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 121.167 0.508 . . . . 0.0 111.951 -177.384 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 15.6 mtpt -64.65 -43.58 93.17 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.194 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 41.5 p-10 -91.93 -1.81 57.1 Favored 'General case' 0 CA--C 1.509 -0.604 0 CA-C-N 114.992 -1.004 . . . . 0.0 111.255 -174.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . 0.747 ' O ' HG12 ' B' ' 54' ' ' VAL . 86.5 t -76.92 136.83 23.69 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.109 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.111 -179.42 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -58.71 -42.01 87.64 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.328 -177.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.427 ' H ' HG12 ' B' ' 51' ' ' VAL . . . -49.74 -40.9 42.46 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.729 -0.669 . . . . 0.0 112.232 -174.261 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.747 HG12 ' O ' ' B' ' 51' ' ' VAL . 11.7 p -60.56 -42.79 92.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 C-N-CA 120.077 -0.649 . . . . 0.0 110.288 -177.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -60.85 -46.55 90.13 Favored 'General case' 0 CA--C 1.5 -0.971 0 CA-C-O 121.377 0.608 . . . . 0.0 109.785 176.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 14.9 mmtp -63.52 -43.55 96.85 Favored 'General case' 0 N--CA 1.44 -0.975 0 CA-C-N 115.182 -0.917 . . . . 0.0 109.292 -174.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.541 ' CG1' HD12 ' B' ' 77' ' ' LEU . 66.7 t -65.96 -43.14 92.86 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.451 174.608 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 34.6 mmm -59.88 -46.02 90.64 Favored 'General case' 0 CA--C 1.506 -0.737 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . 0.555 ' HA ' ' HB2' ' B' ' 62' ' ' ASP . 0.0 OUTLIER -65.35 -42.44 92.82 Favored 'General case' 0 N--CA 1.429 -1.498 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.942 176.509 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . 0.401 ' O ' ' HB2' ' B' ' 63' ' ' GLU . 41.1 tt0 -60.2 -41.54 93.17 Favored 'General case' 0 C--N 1.313 -0.997 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.873 ' HG ' HD13 ' B' ' 77' ' ' LEU . 3.1 mm? -65.27 -33.86 76.97 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.473 170.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.555 ' HB2' ' HA ' ' B' ' 59' ' ' LYS . 32.7 m-20 -63.04 -38.1 89.84 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 175.637 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . 0.488 ' HG2' ' O ' ' B' ' 59' ' ' LYS . 78.9 mm-40 -62.72 -44.39 96.34 Favored 'General case' 0 CA--C 1.511 -0.54 0 N-CA-C 106.963 -1.495 . . . . 0.0 106.963 176.255 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . 0.535 HD21 ' CD ' ' B' ' 73' ' ' GLU . 21.6 t-20 -82.05 36.07 0.45 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.937 -1.029 . . . . 0.0 108.672 171.507 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.452 ' H ' ' C ' ' B' ' 63' ' ' GLU . . . -107.94 20.99 30.44 Favored Glycine 0 CA--C 1.496 -1.147 0 N-CA-C 109.843 -1.303 . . . . 0.0 109.843 -177.583 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -60.53 -43.11 97.53 Favored 'General case' 0 N--CA 1.441 -0.876 0 CA-C-N 115.447 -0.376 . . . . 0.0 110.178 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -171.9 -83.46 0.05 OUTLIER Glycine 0 C--N 1.317 -0.489 0 C-N-CA 120.807 -0.711 . . . . 0.0 111.508 177.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.478 ' OE1' ' NZ ' ' B' ' 27' ' ' LYS . 89.3 mt-10 -91.21 152.25 20.61 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.363 -0.418 . . . . 0.0 110.524 -176.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.554 HG23 ' HB3' ' B' ' 73' ' ' GLU . 1.5 p -127.46 128.0 69.44 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 173.006 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.436 ' CG ' ' N ' ' B' ' 71' ' ' PHE . 0.0 OUTLIER -94.6 -176.78 4.01 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 120.566 -0.453 . . . . 0.0 111.47 -174.697 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.487 ' CD1' HD13 ' B' ' 12' ' ' ILE . 63.3 t80 -61.37 -45.37 94.66 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.145 -177.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.441 ' HG3' HG11 ' A' ' 83' ' ' VAL . 36.9 mt-30 -61.96 -41.55 98.13 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.171 177.41 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.554 ' HB3' HG23 ' B' ' 69' ' ' VAL . 70.2 mt-10 -67.24 -41.14 86.14 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-O 121.369 0.604 . . . . 0.0 109.88 176.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . 0.778 ' CE1' HD21 ' B' ' 36' ' ' LEU . 37.1 t80 -61.83 -48.42 80.65 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.385 178.536 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.917 HG21 ' CB ' ' A' ' 79' ' ' ALA . 33.8 m -63.5 -39.58 85.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 C-N-CA 119.992 -0.683 . . . . 0.0 112.156 -175.739 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.467 HG12 ' O ' ' B' ' 73' ' ' GLU . 8.6 p -64.13 -36.73 77.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.81 -178.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.887 HD23 HD21 ' B' ' 33' ' ' LEU . 50.0 tp -60.9 -49.12 78.77 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.555 178.193 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.694 HG12 HD23 ' B' ' 37' ' ' LEU . 18.9 m -69.72 -41.22 79.95 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 C-N-CA 120.151 -0.62 . . . . 0.0 110.549 177.137 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.827 ' CB ' HG21 ' A' ' 75' ' ' VAL . . . -61.4 -49.46 76.81 Favored 'General case' 0 CA--C 1.508 -0.669 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.524 179.276 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.08 -46.8 84.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.112 0.482 . . . . 0.0 110.007 -178.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.531 ' CD1' HD11 ' B' ' 37' ' ' LEU . 98.2 mt -63.37 -41.99 98.84 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.831 176.118 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.478 HG23 ' CZ ' ' B' ' 44' ' ' PHE . 94.6 m -61.08 -51.34 69.57 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.808 -179.249 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.517 HG23 ' CH2' ' B' ' 90' ' ' TRP . 9.8 p -64.17 -42.43 95.52 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.507 0 C-N-CA 120.893 -0.323 . . . . 0.0 111.011 178.519 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -51.51 -53.72 34.67 Favored 'General case' 0 CA--C 1.505 -0.755 0 C-N-CA 120.314 -0.555 . . . . 0.0 109.528 -177.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 85' ' ' MET . . . . . 0.869 ' SD ' ' HB3' ' B' ' 47' ' ' ALA . 34.2 ttp -70.59 -45.82 64.59 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.241 177.383 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.573 ' OD1' ' NE1' ' B' ' 90' ' ' TRP . 4.1 t-20 -61.52 -35.59 78.14 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.732 -175.712 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . 0.591 ' HA ' ' CD2' ' B' ' 90' ' ' TRP . 1.2 t-20 -57.68 -39.85 78.09 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 176.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.589 ' O ' ' N ' ' B' ' 92' ' ' ASN . 67.8 m-85 -63.56 -36.99 85.62 Favored 'General case' 0 C--O 1.215 -0.719 0 C-N-CA 120.284 -0.566 . . . . 0.0 109.683 173.294 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . 0.408 ' HB2' ' O ' ' B' ' 86' ' ' ASN . 11.0 m-85 -60.68 -39.8 89.79 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 120.818 -0.353 . . . . 0.0 111.062 176.257 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . 0.591 ' CD2' ' HA ' ' B' ' 87' ' ' ASN . 7.8 m0 -67.14 -51.11 57.93 Favored 'General case' 0 CA--C 1.507 -0.696 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 178.256 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -70.71 -46.15 63.64 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 114.611 -1.177 . . . . 0.0 111.313 -175.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . 0.589 ' N ' ' O ' ' B' ' 88' ' ' PHE . 50.6 t30 -100.51 99.75 10.39 Favored 'General case' 0 CA--C 1.501 -0.939 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 172.283 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 11.8 t . . . . . 0 C--N 1.309 -1.194 0 CA-C-O 118.403 -0.808 . . . . 0.0 111.308 -173.8 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.459 ' H3 ' ' CD ' ' A' ' 5' ' ' GLU . . . . . . . . 0 C--O 1.241 0.575 0 N-CA-C 111.776 -0.53 . . . . 0.0 111.776 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 4' ' ' LEU . 0.8 OUTLIER -85.42 -172.02 3.92 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.745 -0.228 . . . . 0.0 110.958 -178.568 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.518 ' CD ' ' H ' ' A' ' 3' ' ' GLU . 50.2 mp0 -41.87 -22.4 0.02 OUTLIER 'General case' 0 C--O 1.225 -0.188 0 C-N-CA 123.212 0.605 . . . . 0.0 111.154 179.589 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.779 HD21 HG21 ' B' ' 14' ' ' VAL . 4.2 mm? -59.94 -43.97 94.64 Favored 'General case' 0 N--CA 1.444 -0.731 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 -178.503 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.459 ' CD ' ' H3 ' ' A' ' 1' ' ' GLY . 96.8 mt-10 -67.25 -43.54 81.68 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.151 -0.62 . . . . 0.0 111.116 178.555 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.7 m -60.2 -45.84 91.79 Favored 'General case' 0 C--O 1.244 0.777 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 176.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.43 -50.05 74.26 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 109.823 177.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.445 ' HG2' ' O ' ' A' ' 4' ' ' LEU . 94.5 mmm -64.98 -42.7 94.3 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.469 -0.492 . . . . 0.0 110.689 177.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -63.45 -36.67 84.53 Favored 'General case' 0 CA--C 1.51 -0.587 0 C-N-CA 120.108 -0.637 . . . . 0.0 110.983 178.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 18.9 m -58.4 -45.03 89.18 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 175.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.882 HD11 ' SD ' ' B' ' 8' ' ' MET . 82.0 mt -62.59 -41.82 99.2 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.11 174.451 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.464 HG21 ' ND2' ' B' ' 86' ' ' ASN . 18.8 mm -62.54 -44.33 99.23 Favored 'Isoleucine or valine' 0 C--O 1.239 0.549 0 CA-C-O 120.962 0.41 . . . . 0.0 109.974 -179.171 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 63.6 m-20 -61.55 -44.31 97.27 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.406 -175.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.8 HG21 HD11 ' B' ' 4' ' ' LEU . 92.2 t -63.76 -45.41 97.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 176.62 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -59.31 -48.06 83.06 Favored 'General case' 0 C--O 1.24 0.561 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.123 178.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -65.66 -39.94 91.89 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.733 176.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.87 -40.88 90.16 Favored 'General case' 0 CA--C 1.515 -0.371 0 C-N-CA 120.446 -0.501 . . . . 0.0 110.221 179.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.433 ' HB3' ' CD1' ' A' ' 28' ' ' LEU . 53.6 m-70 -82.44 -14.71 54.65 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.876 177.466 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.411 ' O ' ' N ' ' A' ' 23' ' ' GLY . 62.3 m -58.43 -37.75 76.04 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 120.012 -0.675 . . . . 0.0 110.001 178.031 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -56.48 -20.27 29.83 Favored Glycine 0 CA--C 1.523 0.557 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.693 178.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.6 mmtp -62.24 -43.01 99.79 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 122.789 -0.242 . . . . 0.0 110.74 -176.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -162.68 -3.13 0.04 OUTLIER 'General case' 0 C--O 1.22 -0.451 0 CA-C-N 116.64 -0.255 . . . . 0.0 111.177 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 19' ' ' SER . . . -60.23 143.42 47.51 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.725 -0.55 . . . . 0.0 111.725 -173.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -60.07 -48.98 79.46 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-O 121.346 0.593 . . . . 0.0 109.764 178.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.423 ' NZ ' ' OE1' ' B' ' 91' ' ' GLU . 0.0 OUTLIER -140.92 -72.75 0.35 Allowed 'General case' 0 CA--C 1.492 -1.275 0 N-CA-C 107.182 -1.414 . . . . 0.0 107.182 171.823 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.489 ' OH ' ' HB2' ' B' ' 90' ' ' TRP . 0.2 OUTLIER -123.56 91.63 3.51 Favored 'General case' 0 N--CA 1.427 -1.604 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 172.79 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.413 ' HG2' ' C ' ' A' ' 26' ' ' TYR . 3.4 mmmm -158.3 156.54 30.8 Favored 'General case' 0 CA--C 1.498 -1.02 0 N-CA-C 107.125 -1.435 . . . . 0.0 107.125 178.404 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.661 HD11 ' CB ' ' A' ' 32' ' ' GLU . 44.8 tp -124.53 133.51 53.29 Favored 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 179.304 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.404 ' HA ' ' HA ' ' A' ' 68' ' ' GLU . 11.0 p -81.41 158.44 24.61 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 119.523 -0.871 . . . . 0.0 110.125 176.71 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.566 ' CD ' ' HB ' ' A' ' 69' ' ' VAL . 4.0 mmtm -69.68 -6.95 35.02 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 119.477 -0.889 . . . . 0.0 111.713 -175.566 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.436 ' H ' ' HG3' ' A' ' 31' ' ' LYS . 40.0 mttt -66.26 -51.29 58.99 Favored 'General case' 0 CA--C 1.497 -1.092 0 N-CA-C 107.522 -1.288 . . . . 0.0 107.522 179.26 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.661 ' CB ' HD11 ' A' ' 28' ' ' LEU . 68.3 mm-40 -70.88 -33.33 70.49 Favored 'General case' 0 N--CA 1.432 -1.367 0 CA-C-N 113.454 -1.703 . . . . 0.0 110.142 178.535 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.856 HD11 HD22 ' A' ' 77' ' ' LEU . 3.1 tm? -58.26 -51.26 70.49 Favored 'General case' 0 N--CA 1.445 -0.725 0 C-N-CA 120.277 -0.569 . . . . 0.0 109.626 -173.651 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -68.91 -42.47 76.83 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.858 174.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -69.35 -42.64 75.0 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.008 -0.542 . . . . 0.0 112.108 -175.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.497 ' O ' HD12 ' A' ' 36' ' ' LEU . 0.2 OUTLIER -80.14 -39.76 28.78 Favored 'General case' 0 C--O 1.239 0.524 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -178.199 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.618 HD13 ' C ' ' A' ' 37' ' ' LEU . 2.9 tm? -61.41 -44.55 96.95 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.521 -0.472 . . . . 0.0 110.666 -175.619 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.425 ' HG3' ' N ' ' A' ' 39' ' ' THR . 8.7 pt20 -59.2 -42.13 90.19 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.294 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.425 ' N ' ' HG3' ' A' ' 38' ' ' GLN . 0.1 OUTLIER -64.74 -53.06 53.05 Favored 'General case' 0 N--CA 1.432 -1.337 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.454 -178.524 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.668 ' HB3' HD12 ' B' ' 4' ' ' LEU . 70.1 mm-40 -70.65 -39.44 73.64 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-N 115.697 -0.683 . . . . 0.0 112.634 -171.689 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.419 HD21 ' HB ' ' A' ' 78' ' ' VAL . 10.9 mp -108.48 36.48 2.81 Favored 'General case' 0 C--O 1.242 0.675 0 CA-C-O 121.037 0.446 . . . . 0.0 109.973 -178.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.23 -34.86 72.7 Favored 'General case' 0 C--N 1.309 -1.172 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.599 -176.325 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.73 -47.07 79.57 Favored Glycine 0 C--O 1.241 0.563 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 178.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.497 ' O ' ' HG3' ' A' ' 48' ' ' GLN . 20.8 m-85 -69.29 -44.78 71.11 Favored 'General case' 0 CA--C 1.486 -1.492 0 CA-C-O 121.286 0.565 . . . . 0.0 109.503 176.472 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.548 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 49.1 tp -60.11 -46.45 89.56 Favored 'General case' 0 N--CA 1.423 -1.822 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.262 -178.695 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.487 ' HA ' ' HE3' ' A' ' 49' ' ' LYS . 22.1 t70 -63.96 -36.25 83.35 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 175.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.88 -39.49 94.32 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.71 178.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.547 HE21 ' C ' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -117.66 39.08 3.42 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 114.142 1.164 . . . . 0.0 114.142 -177.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.548 ' HG3' ' O ' ' A' ' 45' ' ' LEU . 78.7 mttt -64.05 -38.05 89.68 Favored 'General case' 0 C--N 1.316 -0.88 0 C-N-CA 120.303 -0.559 . . . . 0.0 110.021 173.073 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -89.09 12.03 16.81 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.91 -175.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 77.7 t -98.31 132.8 42.62 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 -179.046 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.421 ' OD1' ' NZ ' ' A' ' 56' ' ' LYS . 25.7 t70 -53.14 -44.19 67.56 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.05 0.452 . . . . 0.0 111.323 -176.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.683 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -56.17 -24.29 40.47 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 115.641 -0.708 . . . . 0.0 111.539 -177.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.564 ' O ' ' HG3' ' A' ' 58' ' ' MET . 1.3 p -58.87 -47.15 90.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 C-N-CA 119.726 -0.79 . . . . 0.0 110.581 -178.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.436 ' OD2' ' NZ ' ' A' ' 59' ' ' LYS . 34.1 t70 -71.07 -46.81 61.24 Favored 'General case' 0 CA--C 1.509 -0.6 0 CA-C-O 121.155 0.502 . . . . 0.0 111.686 178.572 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.451 ' CD ' ' N ' ' A' ' 56' ' ' LYS . 0.1 OUTLIER -60.79 -41.7 96.09 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.279 -174.106 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.683 HG23 ' O ' ' A' ' 53' ' ' ALA . 89.6 t -60.99 -46.64 96.26 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.052 0 C-N-CA 119.663 -0.815 . . . . 0.0 109.67 -177.66 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.583 ' O ' ' N ' ' A' ' 62' ' ' ASP . 2.5 mtm -64.12 -39.21 93.55 Favored 'General case' 0 CA--C 1.505 -0.759 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 175.693 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.436 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP . 1.2 tppp? -60.81 -43.81 97.69 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.881 -175.495 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -61.77 -43.02 99.68 Favored 'General case' 0 C--O 1.248 0.996 0 N-CA-C 108.882 -0.785 . . . . 0.0 108.882 174.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.624 HD11 ' HB2' ' A' ' 77' ' ' LEU . 88.8 mt -64.39 -41.11 96.85 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.751 177.677 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.583 ' N ' ' O ' ' A' ' 58' ' ' MET . 59.0 m-20 -65.08 -38.37 90.54 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.74 -177.31 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -66.23 -36.47 83.11 Favored 'General case' 0 CA--C 1.52 -0.205 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 175.047 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.476 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . 3.9 m-20 -85.87 12.13 9.86 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 114.739 -1.119 . . . . 0.0 108.623 168.213 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.528 ' N ' ' O ' ' A' ' 61' ' ' LEU . . . -94.53 39.62 2.87 Favored Glycine 0 CA--C 1.496 -1.139 0 N-CA-C 110.688 -0.965 . . . . 0.0 110.688 -176.371 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -61.42 -37.83 84.93 Favored 'General case' 0 N--CA 1.44 -0.94 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 178.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -170.79 -57.44 0.04 OUTLIER Glycine 0 CA--C 1.525 0.67 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.334 176.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.514 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . 58.6 mt-10 -91.46 156.03 18.01 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 -176.328 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.848 HG11 ' HB2' ' A' ' 33' ' ' LEU . 2.1 p -129.04 127.61 66.17 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.113 0 N-CA-C 106.47 -1.678 . . . . 0.0 106.47 163.284 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.55 ' CG ' ' N ' ' A' ' 71' ' ' PHE . 12.1 t70 -92.97 176.44 6.42 Favored 'General case' 0 C--N 1.308 -1.223 0 C-N-CA 120.22 -0.592 . . . . 0.0 109.718 -179.266 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.694 ' O ' HG22 ' A' ' 75' ' ' VAL . 49.0 t80 -59.06 -41.22 87.4 Favored 'General case' 0 C--N 1.308 -1.212 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 179.013 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -55.87 -44.55 78.21 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.813 -1.085 . . . . 0.0 110.43 177.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.78 ' HB2' HG23 ' A' ' 69' ' ' VAL . 77.7 mt-10 -69.99 -40.68 75.18 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 121.494 0.664 . . . . 0.0 109.766 175.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.498 ' OH ' HD13 ' B' ' 4' ' ' LEU . 33.0 t80 -61.73 -48.03 82.56 Favored 'General case' 0 C--O 1.242 0.674 0 CA-C-N 115.568 -0.742 . . . . 0.0 112.021 -177.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.939 HG21 ' CB ' ' B' ' 79' ' ' ALA . 14.1 m -62.83 -41.61 93.19 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 C-N-CA 120.242 -0.583 . . . . 0.0 111.899 -177.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.489 HG12 ' O ' ' A' ' 73' ' ' GLU . 14.6 p -64.94 -38.32 82.47 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.64 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.686 179.53 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.856 HD22 HD11 ' A' ' 33' ' ' LEU . 49.0 tp -60.8 -49.04 79.08 Favored 'General case' 0 CA--C 1.507 -0.674 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.604 179.502 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.472 HG12 HD23 ' A' ' 37' ' ' LEU . 24.3 m -68.26 -43.91 84.3 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 C-N-CA 120.006 -0.678 . . . . 0.0 110.476 177.238 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.861 ' CB ' HG21 ' B' ' 75' ' ' VAL . . . -62.6 -46.66 87.27 Favored 'General case' 0 CA--C 1.51 -0.56 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.932 -178.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.404 ' HA ' HG12 ' A' ' 83' ' ' VAL . . . -58.09 -47.88 81.86 Favored 'General case' 0 CA--C 1.509 -0.603 0 CA-C-O 121.092 0.472 . . . . 0.0 110.156 -177.328 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' A' ' 81' ' ' LEU . 93.8 mt -63.17 -41.99 99.33 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.67 177.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.505 HG22 HG13 ' B' ' 12' ' ' ILE . 20.2 m -63.35 -52.6 61.1 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.001 179.063 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.442 HG22 ' ND2' ' A' ' 87' ' ' ASN . 11.3 p -63.57 -41.46 92.72 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.62 0 C-N-CA 120.351 -0.54 . . . . 0.0 110.371 -179.03 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -49.78 -59.56 3.72 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.942 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.543 ' O ' ' N ' ' A' ' 89' ' ' PHE . 89.9 mmm -66.94 -42.96 84.41 Favored 'General case' 0 CA--C 1.501 -0.938 0 N-CA-C 113.449 0.907 . . . . 0.0 113.449 175.509 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.428 ' O ' ' CD1' ' A' ' 90' ' ' TRP . 10.0 m120 -63.01 -44.69 95.27 Favored 'General case' 0 C--N 1.314 -0.935 0 C-N-CA 119.023 -1.071 . . . . 0.0 111.734 -175.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.442 ' ND2' HG22 ' A' ' 83' ' ' VAL . 90.1 m-20 -66.38 -41.88 88.76 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.328 0.585 . . . . 0.0 110.205 175.564 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -61.56 -43.42 98.89 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.669 176.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.543 ' N ' ' O ' ' A' ' 85' ' ' MET . 0.5 OUTLIER -46.59 -45.98 19.25 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.963 -173.205 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.541 ' NE1' ' CE1' ' B' ' 16' ' ' HIS . 43.4 m95 -61.35 -82.12 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 -178.46 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.424 ' OE1' ' NZ ' ' B' ' 25' ' ' LYS . 0.1 OUTLIER -109.42 -82.05 0.57 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.504 0.669 . . . . 0.0 111.491 175.252 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -143.54 -154.06 0.5 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.837 -1.074 . . . . 0.0 108.832 178.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 C--O 1.219 -0.525 0 CA-C-O 117.685 -1.15 . . . . 0.0 111.003 175.032 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.462 0.383 0 N-CA-C 110.717 -0.953 . . . . 0.0 110.717 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 17.0 m -58.53 153.51 15.96 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 120.904 0.383 . . . . 0.0 110.376 -178.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -47.32 -26.44 1.26 Allowed 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 174.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.851 HD22 HD23 ' A' ' 11' ' ' LEU . 58.0 mt -62.11 -42.84 99.63 Favored 'General case' 0 N--CA 1.435 -1.213 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.277 -179.389 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -63.0 -43.16 99.54 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 119.871 -0.732 . . . . 0.0 109.09 176.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.424 ' O ' ' N ' ' B' ' 10' ' ' THR . 7.2 m -62.05 -46.91 87.07 Favored 'General case' 0 C--O 1.246 0.884 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.885 176.208 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.51 -47.68 83.32 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.96 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . 0.882 ' SD ' HD11 ' A' ' 11' ' ' LEU . 88.7 mmm -63.63 -41.63 98.24 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.553 179.015 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -65.41 -37.26 86.4 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 119.872 -0.731 . . . . 0.0 110.274 175.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.424 ' N ' ' O ' ' B' ' 6' ' ' THR . 14.3 m -59.48 -44.21 93.1 Favored 'General case' 0 C--O 1.238 0.467 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 176.26 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.59 HD23 ' CD1' ' A' ' 4' ' ' LEU . 85.2 mt -61.91 -41.84 98.38 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.417 176.107 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.505 HG13 HG22 ' A' ' 82' ' ' THR . 19.3 mm -62.52 -43.32 98.26 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.686 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 177.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -59.62 -44.09 93.58 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 -176.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.779 HG21 HD21 ' A' ' 4' ' ' LEU . 94.8 t -62.73 -48.76 86.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.615 175.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -60.89 -49.31 77.97 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.174 -179.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.681 ' CE1' ' HB3' ' B' ' 26' ' ' TYR . 1.9 m-70 -66.24 -38.79 88.71 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.309 178.762 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.17 -47.59 82.93 Favored 'General case' 0 CA--C 1.517 -0.322 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 176.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 77.7 m-70 -70.57 -31.56 68.63 Favored 'General case' 0 C--O 1.218 -0.586 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.32 175.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.487 ' HB3' ' HA ' ' B' ' 26' ' ' TYR . 24.2 m -52.93 -40.94 64.01 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 119.834 -0.746 . . . . 0.0 109.58 179.353 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -54.09 -24.41 28.11 Favored Glycine 0 CA--C 1.521 0.425 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 178.004 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 12.6 mmtp -62.47 -43.32 99.1 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 -178.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.47 ' OE1' ' HE3' ' B' ' 31' ' ' LYS . 28.4 tt0 -165.88 -68.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.124 0.487 . . . . 0.0 110.793 -175.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -34.58 89.71 0.01 OUTLIER Glycine 0 CA--C 1.522 0.509 0 CA-C-N 114.749 -1.114 . . . . 0.0 113.591 -171.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.625 ' CG ' ' H ' ' B' ' 25' ' ' LYS . 41.8 t0 36.03 -158.83 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.409 0.684 . . . . 0.0 111.851 175.703 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.625 ' H ' ' CG ' ' B' ' 24' ' ' ASP . 27.5 pttt -62.91 -46.36 88.16 Favored 'General case' 0 CA--C 1.505 -0.775 0 C-N-CA 119.827 -0.749 . . . . 0.0 109.822 178.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.681 ' HB3' ' CE1' ' B' ' 16' ' ' HIS . 0.2 OUTLIER -145.47 93.6 2.39 Favored 'General case' 0 N--CA 1.441 -0.877 0 CA-C-N 115.606 -0.724 . . . . 0.0 111.181 170.117 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.453 ' O ' ' HA ' ' B' ' 19' ' ' SER . 5.3 mmmm -155.36 167.55 30.01 Favored 'General case' 0 C--N 1.309 -1.179 0 N-CA-C 106.95 -1.5 . . . . 0.0 106.95 175.276 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.508 ' HB3' HG13 ' B' ' 69' ' ' VAL . 48.8 tp -122.57 128.9 51.32 Favored 'General case' 0 C--N 1.307 -1.266 0 C-N-CA 119.788 -0.765 . . . . 0.0 110.377 -178.567 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 8.3 p -81.99 159.57 23.5 Favored 'General case' 0 C--O 1.238 0.492 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 176.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.437 ' NZ ' ' O ' ' B' ' 61' ' ' LEU . 10.3 mmmm -71.73 -7.61 49.17 Favored 'General case' 0 C--N 1.317 -0.821 0 C-N-CA 119.896 -0.722 . . . . 0.0 109.733 -176.775 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.47 ' HE3' ' OE1' ' B' ' 22' ' ' GLU . 69.2 mttt -68.83 -57.26 5.81 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 122.337 1.065 . . . . 0.0 108.95 -178.176 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.447 ' HB2' HD11 ' B' ' 28' ' ' LEU . 71.4 mm-40 -71.66 -36.95 70.84 Favored 'General case' 0 N--CA 1.422 -1.834 0 CA-C-N 113.362 -1.744 . . . . 0.0 110.153 -178.621 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.645 HD13 ' C ' ' B' ' 33' ' ' LEU . 3.1 tm? -58.57 -46.07 87.68 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.147 -174.427 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.463 ' NZ ' ' OD1' ' B' ' 62' ' ' ASP . 68.4 mttm -64.17 -43.36 95.4 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 119.759 -0.776 . . . . 0.0 110.108 178.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.4 ' HA ' HE21 ' B' ' 38' ' ' GLN . 65.3 mt-10 -70.05 -49.91 46.48 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.063 -178.311 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.48 ' O ' HD12 ' B' ' 36' ' ' LEU . 0.1 OUTLIER -64.08 -43.06 96.59 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 112.497 0.554 . . . . 0.0 112.497 -179.414 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.614 HD23 HG12 ' B' ' 78' ' ' VAL . 2.5 tm? -61.78 -45.43 93.92 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.257 -0.577 . . . . 0.0 110.24 -177.059 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.408 ' HG2' ' O ' ' B' ' 34' ' ' LYS . 27.8 pt20 -68.49 -39.39 81.35 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 120.161 -0.616 . . . . 0.0 110.995 175.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 97.6 m -62.15 -49.6 75.21 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.212 -177.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -82.63 -42.3 18.37 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.603 0.594 . . . . 0.0 112.603 -170.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.597 HD22 HD21 ' B' ' 37' ' ' LEU . 11.0 mp -88.18 44.08 1.17 Allowed 'General case' 0 CA--C 1.514 -0.427 0 CA-C-O 121.045 0.45 . . . . 0.0 110.517 -178.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -55.69 -39.04 70.45 Favored 'General case' 0 C--N 1.308 -1.236 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.687 -176.286 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.42 -49.58 43.98 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.565 -0.614 . . . . 0.0 111.565 179.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.544 ' CZ ' HG23 ' B' ' 82' ' ' THR . 60.8 m-85 -68.1 -40.51 82.57 Favored 'General case' 0 CA--C 1.499 -1.017 0 CA-C-O 121.17 0.51 . . . . 0.0 110.11 177.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.408 HD22 ' HA ' ' B' ' 38' ' ' GLN . 19.4 tp -57.86 -48.24 80.39 Favored 'General case' 0 CA--C 1.498 -1.044 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.342 176.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.594 ' HA ' ' NZ ' ' B' ' 49' ' ' LYS . 32.8 t70 -70.65 -34.21 71.8 Favored 'General case' 0 C--N 1.301 -1.53 0 C-N-CA 120.225 -0.59 . . . . 0.0 111.76 176.496 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . 0.497 ' HB1' ' SD ' ' B' ' 85' ' ' MET . . . -62.9 -38.32 90.46 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.439 -179.332 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.505 ' HG3' ' O ' ' B' ' 44' ' ' PHE . 0.0 OUTLIER -119.86 55.71 0.97 Allowed 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 -177.944 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.594 ' NZ ' ' HA ' ' B' ' 46' ' ' ASP . 39.2 mttp -66.61 -43.36 85.02 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.113 -0.635 . . . . 0.0 111.436 171.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 39.1 p-10 -94.07 4.22 54.2 Favored 'General case' 0 CA--C 1.509 -0.619 0 CA-C-N 115.432 -0.804 . . . . 0.0 112.369 -171.114 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . 0.704 ' O ' HG12 ' B' ' 54' ' ' VAL . 16.5 t -85.14 122.04 37.76 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.89 0 C-N-CA 119.862 -0.735 . . . . 0.0 109.096 177.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -59.17 -35.06 72.87 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-O 121.334 0.588 . . . . 0.0 110.237 -177.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.459 ' O ' HG23 ' B' ' 57' ' ' VAL . . . -54.75 -28.79 51.14 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.197 -0.91 . . . . 0.0 111.816 -177.687 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.704 HG12 ' O ' ' B' ' 51' ' ' VAL . 8.5 p -59.63 -46.84 92.84 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 C-N-CA 119.307 -0.957 . . . . 0.0 109.961 -178.379 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.571 ' O ' ' N ' ' B' ' 59' ' ' LYS . 10.6 t70 -59.38 -49.71 76.76 Favored 'General case' 0 CA--C 1.5 -0.973 0 C-N-CA 120.641 -0.424 . . . . 0.0 110.612 176.128 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . 0.479 ' HD2' ' N ' ' B' ' 56' ' ' LYS . 3.6 mptp? -63.5 -42.77 98.49 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-N 115.483 -0.78 . . . . 0.0 112.316 -174.713 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.682 HG12 HD12 ' B' ' 77' ' ' LEU . 64.4 t -63.44 -44.16 98.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 174.239 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . 0.435 ' CG ' ' O ' ' B' ' 54' ' ' VAL . 11.0 mmm -62.53 -40.11 95.74 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.44 176.109 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . 0.571 ' N ' ' O ' ' B' ' 55' ' ' ASP . 2.5 tppm? -62.19 -42.0 98.87 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.401 -175.693 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -64.81 -37.38 87.41 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.193 176.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.61 ' HG ' HD22 ' B' ' 77' ' ' LEU . 1.3 mm? -62.26 -39.34 92.59 Favored 'General case' 0 C--N 1.309 -1.163 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 171.702 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.463 ' OD1' ' NZ ' ' B' ' 34' ' ' LYS . 56.0 m-20 -62.17 -38.02 87.48 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.907 174.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . 0.562 ' C ' ' H ' ' B' ' 65' ' ' GLY . 45.6 mt-10 -60.93 -40.4 93.1 Favored 'General case' 0 CA--C 1.501 -0.914 0 N-CA-C 107.872 -1.159 . . . . 0.0 107.872 175.297 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . 0.549 HD21 ' CD ' ' B' ' 73' ' ' GLU . 9.3 t-20 -74.79 37.14 0.11 Allowed 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 114.789 -1.096 . . . . 0.0 109.684 171.73 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.562 ' H ' ' C ' ' B' ' 63' ' ' GLU . . . -105.82 19.17 39.09 Favored Glycine 0 CA--C 1.509 -0.341 0 N-CA-C 108.695 -1.762 . . . . 0.0 108.695 178.136 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -61.9 -37.76 85.82 Favored 'General case' 0 CA--C 1.512 -0.497 0 CA-C-N 115.117 -0.542 . . . . 0.0 109.977 -179.189 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -156.76 -65.14 0.01 OUTLIER Glycine 0 C--N 1.317 -0.502 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.437 179.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 79.6 mt-10 -138.71 165.53 26.73 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 122.897 0.479 . . . . 0.0 109.736 -175.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.508 HG13 ' HB3' ' B' ' 28' ' ' LEU . 2.2 p -118.56 131.28 71.81 Favored 'Isoleucine or valine' 0 C--O 1.241 0.634 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 173.239 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.421 ' CG ' ' N ' ' B' ' 71' ' ' PHE . 0.0 OUTLIER -92.45 175.93 6.65 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.773 0.32 . . . . 0.0 111.099 -174.188 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.457 ' CD1' HD13 ' B' ' 12' ' ' ILE . 54.8 t80 -61.98 -46.17 90.41 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.003 0.43 . . . . 0.0 110.572 -178.342 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -60.62 -40.06 90.52 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.042 177.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.549 ' CD ' HD21 ' B' ' 64' ' ' ASN . 95.6 mt-10 -67.3 -42.33 83.91 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.057 174.053 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -62.42 -49.32 75.93 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.424 0.528 . . . . 0.0 112.424 177.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.861 HG21 ' CB ' ' A' ' 79' ' ' ALA . 34.6 m -64.83 -38.28 82.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 C-N-CA 119.669 -0.813 . . . . 0.0 112.318 -176.651 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.466 HG12 ' O ' ' B' ' 73' ' ' GLU . 13.0 p -64.0 -36.69 77.64 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 C-N-CA 119.71 -0.796 . . . . 0.0 110.347 -178.249 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.682 HD12 HG12 ' B' ' 57' ' ' VAL . 49.6 tp -60.19 -49.11 78.91 Favored 'General case' 0 CA--C 1.507 -0.675 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.38 179.207 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.614 HG12 HD23 ' B' ' 37' ' ' LEU . 14.1 m -69.63 -43.24 80.44 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.048 0 C-N-CA 120.148 -0.621 . . . . 0.0 110.397 176.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.939 ' CB ' HG21 ' A' ' 75' ' ' VAL . . . -60.01 -48.55 81.25 Favored 'General case' 0 CA--C 1.514 -0.416 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.856 -179.692 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.62 -46.24 84.36 Favored 'General case' 0 CA--C 1.51 -0.584 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -178.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.438 ' O ' ' HB2' ' B' ' 85' ' ' MET . 93.7 mt -64.06 -43.11 96.48 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.512 176.373 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.544 HG23 ' CZ ' ' B' ' 44' ' ' PHE . 21.2 m -62.17 -50.45 71.8 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.571 -178.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.444 HG13 ' N ' ' B' ' 84' ' ' ALA . 13.6 p -62.22 -46.48 96.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.469 -176.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 0.444 ' N ' HG13 ' B' ' 83' ' ' VAL . . . -62.83 -51.6 66.41 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.607 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 85' ' ' MET . . . . . 0.497 ' SD ' ' HB1' ' B' ' 47' ' ' ALA . 2.4 tmm? -65.64 -45.82 81.58 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.499 179.702 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.464 ' ND2' HG21 ' A' ' 12' ' ' ILE . 17.5 t30 -66.99 -45.92 76.17 Favored 'General case' 0 CA--C 1.513 -0.466 0 C-N-CA 120.031 -0.668 . . . . 0.0 112.652 -176.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -64.15 -39.76 94.69 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 120.396 -0.521 . . . . 0.0 109.868 -178.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -51.78 -24.43 5.94 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.151 -179.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . 0.41 ' HB2' ' O ' ' B' ' 86' ' ' ASN . 14.0 m-85 -59.41 -43.42 93.04 Favored 'General case' 0 CA--C 1.511 -0.536 0 C-N-CA 120.678 -0.409 . . . . 0.0 111.856 -179.538 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . 0.489 ' HB2' ' OH ' ' A' ' 26' ' ' TYR . 43.8 m95 -81.39 -83.29 0.12 Allowed 'General case' 0 C--N 1.315 -0.914 0 C-N-CA 120.654 -0.418 . . . . 0.0 112.004 -172.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . 0.423 ' OE1' ' NZ ' ' A' ' 25' ' ' LYS . 21.2 mt-10 -108.19 -83.14 0.55 Allowed 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 119.455 -0.898 . . . . 0.0 112.08 -179.207 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . 0.403 ' OD1' ' N ' ' B' ' 93' ' ' SER . 18.6 t-20 -145.11 168.49 20.22 Favored 'General case' 0 CA--C 1.504 -0.818 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.487 176.229 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . 0.403 ' N ' ' OD1' ' B' ' 92' ' ' ASN . 2.2 m . . . . . 0 C--N 1.326 -0.452 0 CA-C-O 118.69 -0.672 . . . . 0.0 110.604 173.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.25 0 N-CA-C 110.697 -0.961 . . . . 0.0 110.697 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 m -61.48 172.68 1.1 Allowed 'General case' 0 C--N 1.315 -0.927 0 CA-C-O 120.908 0.385 . . . . 0.0 110.813 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.455 ' H ' ' CD ' ' A' ' 3' ' ' GLU . 2.0 mp0 -52.14 -31.49 31.28 Favored 'General case' 0 CA--C 1.511 -0.526 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 -179.529 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.729 HD21 HG21 ' B' ' 14' ' ' VAL . 1.4 mm? -61.17 -43.48 98.82 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.166 -177.392 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 -65.44 -43.32 90.79 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 119.477 -0.889 . . . . 0.0 109.709 178.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.469 ' O ' ' N ' ' A' ' 10' ' ' THR . 19.1 m -62.51 -46.66 87.39 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.766 174.357 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 3' ' ' GLU . . . -56.19 -48.93 75.43 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.194 -179.61 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.748 ' SD ' HD11 ' B' ' 11' ' ' LEU . 97.3 mmm -64.47 -41.67 96.37 Favored 'General case' 0 CA--C 1.516 -0.348 0 C-N-CA 120.343 -0.543 . . . . 0.0 110.669 177.489 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -65.53 -34.32 77.99 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.078 -0.649 . . . . 0.0 111.434 176.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.469 ' N ' ' O ' ' A' ' 6' ' ' THR . 11.5 m -57.47 -44.32 84.75 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 176.387 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.948 HD23 HD22 ' B' ' 4' ' ' LEU . 87.7 mt -62.97 -40.36 97.5 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.663 174.635 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.58 HD13 ' CD1' ' A' ' 71' ' ' PHE . 22.7 mm -62.57 -43.69 98.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 178.575 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -60.53 -47.28 86.87 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.028 -177.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.55 HG11 HD11 ' B' ' 4' ' ' LEU . 28.4 m -66.45 -39.97 85.37 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.668 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.425 176.397 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.457 ' CE1' ' HB2' ' A' ' 28' ' ' LEU . 73.1 t80 -59.13 -47.89 83.62 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.675 176.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.532 ' CD2' HG22 ' A' ' 12' ' ' ILE . 21.5 m-70 -64.66 -40.02 94.7 Favored 'General case' 0 C--O 1.238 0.465 0 C-N-CA 120.57 -0.452 . . . . 0.0 109.896 177.609 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.567 ' O ' ' NZ ' ' A' ' 21' ' ' LYS . . . -57.37 -50.48 72.84 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.529 179.188 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.402 ' NE2' ' HB2' ' A' ' 36' ' ' LEU . 83.1 m-70 -72.71 -36.04 67.73 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.866 178.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 70.5 m -57.26 -41.02 78.87 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.347 -0.541 . . . . 0.0 109.787 178.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.75 -5.54 13.76 Favored Glycine 0 CA--C 1.526 0.748 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.081 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.567 ' NZ ' ' O ' ' A' ' 17' ' ' ALA . 48.4 mmtm -95.86 -82.4 0.39 Allowed 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 117.221 0.511 . . . . 0.0 111.604 -177.453 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.411 ' HG3' ' HD2' ' A' ' 31' ' ' LYS . 77.4 mm-40 -95.18 -17.17 21.99 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.806 -176.313 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -87.64 -175.04 48.44 Favored Glycine 0 C--N 1.314 -0.642 0 N-CA-C 111.683 -0.567 . . . . 0.0 111.683 -174.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.495 ' CG ' ' H ' ' A' ' 25' ' ' LYS . 51.7 t0 -82.54 -154.9 0.14 Allowed 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 107.478 -1.305 . . . . 0.0 107.478 176.504 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.495 ' H ' ' CG ' ' A' ' 24' ' ' ASP . 0.0 OUTLIER -56.43 -47.57 78.8 Favored 'General case' 0 CA--C 1.503 -0.835 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 175.784 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.479 ' CE2' ' HD3' ' A' ' 25' ' ' LYS . 1.5 p90 -138.85 93.92 2.76 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.386 174.36 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.488 ' NZ ' ' HB3' ' A' ' 70' ' ' ASP . 3.1 mmtt -163.63 157.15 19.01 Favored 'General case' 0 CA--C 1.503 -0.845 0 CA-C-N 114.91 -1.041 . . . . 0.0 109.45 173.148 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.463 ' O ' HG13 ' A' ' 69' ' ' VAL . 33.1 tp -122.75 125.1 44.84 Favored 'General case' 0 N--CA 1.437 -1.079 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 175.738 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.5 p -83.91 164.76 19.22 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.131 178.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.566 ' NZ ' ' OD1' ' A' ' 64' ' ' ASN . 0.4 OUTLIER -70.68 -6.45 37.25 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 120.312 -0.555 . . . . 0.0 110.562 -177.425 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.462 ' H ' ' HG3' ' A' ' 31' ' ' LYS . 35.4 mttt -77.86 -60.25 2.45 Favored 'General case' 0 CA--C 1.501 -0.911 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 178.619 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.426 ' O ' ' HB3' ' A' ' 36' ' ' LEU . 80.4 mm-40 -61.77 -39.39 91.47 Favored 'General case' 0 N--CA 1.431 -1.398 0 CA-C-N 113.801 -1.545 . . . . 0.0 109.342 179.245 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.769 HD11 HD22 ' A' ' 77' ' ' LEU . 3.0 tm? -60.02 -47.95 83.71 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.555 -176.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.2 pttp -73.05 -44.5 60.65 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 119.317 -0.953 . . . . 0.0 110.799 178.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -61.52 -54.35 44.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.453 -179.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.46 ' HG ' ' N ' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -64.36 -43.65 93.86 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 178.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.752 HD21 HD22 ' A' ' 41' ' ' LEU . 3.1 tm? -61.51 -48.51 80.71 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.208 -0.597 . . . . 0.0 111.091 -176.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.511 ' HB2' ' CD2' ' A' ' 45' ' ' LEU . 14.1 pt20 -67.07 -41.13 86.95 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 119.767 -0.773 . . . . 0.0 110.439 178.172 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 98.6 m -63.47 -53.43 52.17 Favored 'General case' 0 N--CA 1.441 -0.903 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.308 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.778 ' HB3' HD12 ' B' ' 4' ' ' LEU . 76.7 mm-40 -75.34 -40.94 57.72 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 -173.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.752 HD22 HD21 ' A' ' 37' ' ' LEU . 11.2 mp -94.86 31.48 1.83 Allowed 'General case' 0 CA--C 1.505 -0.784 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 179.148 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.0 -33.81 67.52 Favored 'General case' 0 N--CA 1.434 -1.264 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.267 -177.286 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -63.83 -48.86 72.54 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 176.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.456 ' O ' ' NE2' ' A' ' 48' ' ' GLN . 52.0 m-85 -66.93 -45.52 77.6 Favored 'General case' 0 CA--C 1.492 -1.275 0 CA-C-O 121.687 0.756 . . . . 0.0 109.296 176.647 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.522 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 47.1 tp -61.47 -48.37 81.43 Favored 'General case' 0 N--CA 1.425 -1.708 0 CA-C-N 114.902 -1.045 . . . . 0.0 111.234 -177.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -63.59 -39.28 93.98 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.924 0.392 . . . . 0.0 110.837 176.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.443 ' HB3' ' SD ' ' A' ' 85' ' ' MET . . . -62.49 -40.22 95.99 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.839 -0.619 . . . . 0.0 112.297 -176.202 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.456 ' NE2' ' O ' ' A' ' 44' ' ' PHE . 0.9 OUTLIER -129.58 43.5 3.12 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 114.463 1.283 . . . . 0.0 114.463 -174.831 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.522 ' HG3' ' O ' ' A' ' 45' ' ' LEU . 54.1 mtmt -62.96 -40.12 96.74 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 119.271 -0.971 . . . . 0.0 109.496 172.684 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -65.79 -18.33 65.26 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.968 -1.014 . . . . 0.0 111.189 -177.081 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.431 ' C ' ' H ' ' A' ' 53' ' ' ALA . 75.6 t -67.71 -19.12 24.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 120.766 0.317 . . . . 0.0 110.44 -178.725 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 25.4 t70 66.6 -43.66 0.42 Allowed 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.565 -179.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.692 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -52.64 -28.16 20.25 Favored 'General case' 0 CA--C 1.514 -0.422 0 N-CA-C 110.124 -0.325 . . . . 0.0 110.124 179.659 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.538 ' O ' ' HG2' ' A' ' 58' ' ' MET . 7.4 p -58.46 -46.93 89.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.865 177.757 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.499 ' O ' ' N ' ' A' ' 59' ' ' LYS . 30.8 t70 -61.36 -41.38 96.97 Favored 'General case' 0 CA--C 1.505 -0.785 0 CA-C-O 121.708 0.766 . . . . 0.0 109.099 174.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 30.7 mmtp -65.06 -40.91 95.4 Favored 'General case' 0 C--N 1.308 -1.209 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.358 -175.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.692 HG23 ' O ' ' A' ' 53' ' ' ALA . 55.7 t -61.24 -42.55 93.9 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 173.274 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.538 ' HG2' ' O ' ' A' ' 54' ' ' VAL . 74.2 mmm -60.39 -39.48 87.44 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 174.166 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 55' ' ' ASP . 47.0 tptt -63.34 -40.77 98.19 Favored 'General case' 0 N--CA 1.441 -0.902 0 CA-C-N 115.285 -0.871 . . . . 0.0 109.728 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -57.13 -40.76 77.79 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 177.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.72 ' HG ' HD22 ' A' ' 77' ' ' LEU . 1.3 mm? -64.72 -38.7 91.9 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.666 171.039 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.432 ' HB3' ' HD2' ' A' ' 59' ' ' LYS . 19.1 t70 -63.73 -37.4 87.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.486 178.441 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 59' ' ' LYS . 79.9 mm-40 -58.95 -35.94 73.97 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 106.459 -1.682 . . . . 0.0 106.459 175.187 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.566 ' OD1' ' NZ ' ' A' ' 30' ' ' LYS . 14.8 t-20 -84.03 9.9 11.3 Favored 'General case' 0 C--N 1.307 -1.246 0 CA-C-N 113.789 -1.551 . . . . 0.0 109.453 176.759 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.443 ' HA2' ' HG3' ' A' ' 30' ' ' LYS . . . -76.46 -3.36 77.51 Favored Glycine 0 C--O 1.239 0.418 0 N-CA-C 110.658 -0.977 . . . . 0.0 110.658 -178.759 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -61.37 -39.23 89.88 Favored 'General case' 0 CA--C 1.512 -0.485 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -134.57 -136.33 3.63 Favored Glycine 0 C--O 1.241 0.532 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 179.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -108.04 168.76 9.06 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.479 0.657 . . . . 0.0 112.417 -177.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.926 HG23 ' HB2' ' A' ' 73' ' ' GLU . 0.2 OUTLIER -120.32 135.69 59.77 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.976 0 CA-C-N 114.887 -1.051 . . . . 0.0 109.449 179.206 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.488 ' HB3' ' NZ ' ' A' ' 27' ' ' LYS . 3.3 p30 -105.48 -162.5 0.88 Allowed 'General case' 0 CA--C 1.502 -0.888 0 C-N-CA 120.036 -0.665 . . . . 0.0 110.132 175.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.58 ' CD1' HD13 ' A' ' 12' ' ' ILE . 46.9 t80 -59.77 -43.72 94.22 Favored 'General case' 0 C--N 1.297 -1.714 0 C-N-CA 120.175 -0.61 . . . . 0.0 109.457 -175.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.436 ' HG3' HG11 ' B' ' 83' ' ' VAL . 79.2 mt-30 -60.9 -47.85 84.51 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.143 179.08 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.926 ' HB2' HG23 ' A' ' 69' ' ' VAL . 52.1 mp0 -67.64 -36.57 81.02 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 119.003 -1.079 . . . . 0.0 110.054 176.236 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -62.54 -49.2 76.27 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 112.554 0.576 . . . . 0.0 112.554 178.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.796 HG21 ' CB ' ' B' ' 79' ' ' ALA . 24.3 m -64.81 -38.76 83.55 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 -176.162 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.438 HG23 ' CG ' ' B' ' 72' ' ' GLN . 10.0 p -63.22 -36.84 77.65 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.697 0 C-N-CA 120.032 -0.667 . . . . 0.0 110.665 -178.363 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.769 HD22 HD11 ' A' ' 33' ' ' LEU . 52.0 tp -61.45 -49.52 76.48 Favored 'General case' 0 CA--C 1.513 -0.453 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.892 179.704 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.659 HG12 HD23 ' A' ' 37' ' ' LEU . 11.2 m -68.67 -42.73 83.36 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.864 0 C-N-CA 119.944 -0.702 . . . . 0.0 110.335 178.261 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.773 ' CB ' HG21 ' B' ' 75' ' ' VAL . . . -61.55 -48.23 81.95 Favored 'General case' 0 CA--C 1.507 -0.71 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.567 179.625 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.06 -47.68 77.5 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-O 121.221 0.534 . . . . 0.0 109.6 -178.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.409 HD22 HG23 ' A' ' 54' ' ' VAL . 97.8 mt -63.28 -42.58 99.11 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.808 176.558 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.513 HG21 ' HB3' ' B' ' 8' ' ' MET . 19.9 m -63.34 -51.56 65.45 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 120.601 -0.44 . . . . 0.0 110.546 -179.207 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.679 HG12 ' O ' ' A' ' 79' ' ' ALA . 6.7 p -63.81 -43.66 97.95 Favored 'Isoleucine or valine' 0 C--O 1.237 0.447 0 C-N-CA 120.116 -0.634 . . . . 0.0 111.202 178.648 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.02 -53.75 54.55 Favored 'General case' 0 N--CA 1.446 -0.639 0 C-N-CA 120.187 -0.605 . . . . 0.0 110.632 178.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.462 ' O ' ' HB3' ' A' ' 88' ' ' PHE . 18.4 ttp -70.0 -40.63 75.18 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 119.669 -0.812 . . . . 0.0 111.14 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.633 ' CG ' HG21 ' B' ' 12' ' ' ILE . 5.4 t-20 -62.7 -40.84 98.41 Favored 'General case' 0 CA--C 1.512 -0.512 0 C-N-CA 120.222 -0.591 . . . . 0.0 110.781 -177.631 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -59.83 -33.69 72.1 Favored 'General case' 0 CA--C 1.511 -0.528 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.75 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.462 ' HB3' ' O ' ' A' ' 85' ' ' MET . 57.9 t80 -53.52 -45.2 69.68 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.49 177.747 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.45 ' O ' ' HB2' ' A' ' 93' ' ' SER . 47.7 m-85 -59.42 -46.65 88.13 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.009 179.532 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.402 ' NE1' ' OD1' ' A' ' 86' ' ' ASN . 37.8 m95 -74.13 -38.79 63.68 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-O 120.623 0.249 . . . . 0.0 111.478 -178.713 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.471 ' HG2' ' OH ' ' B' ' 26' ' ' TYR . 98.5 mt-10 -68.73 -47.14 67.09 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.977 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -128.75 122.2 30.09 Favored 'General case' 0 CA--C 1.506 -0.734 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.543 -176.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.45 ' HB2' ' O ' ' A' ' 89' ' ' PHE . 0.9 OUTLIER . . . . . 0 C--N 1.31 -1.134 0 CA-C-O 118.332 -0.842 . . . . 0.0 110.304 -176.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 110.137 -1.185 . . . . 0.0 110.137 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 58.9 m -76.32 158.17 31.76 Favored 'General case' 0 C--N 1.315 -0.928 0 N-CA-C 111.81 0.3 . . . . 0.0 111.81 -175.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.497 ' H ' ' CD ' ' B' ' 3' ' ' GLU . 45.7 mp0 -54.29 -27.23 34.01 Favored 'General case' 0 CA--C 1.51 -0.573 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 175.279 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.948 HD22 HD23 ' A' ' 11' ' ' LEU . 95.4 mt -61.13 -40.49 94.02 Favored 'General case' 0 N--CA 1.434 -1.244 0 CA-C-N 114.278 -1.328 . . . . 0.0 109.083 -177.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -63.38 -43.45 97.58 Favored 'General case' 0 N--CA 1.443 -0.795 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 177.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 7.6 m -62.5 -46.54 87.96 Favored 'General case' 0 C--O 1.24 0.597 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 175.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.81 -48.73 74.89 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.115 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . 0.794 ' SD ' HD11 ' A' ' 11' ' ' LEU . 93.7 mmm -64.32 -42.45 96.31 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.918 179.389 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -65.93 -35.08 79.64 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 119.917 -0.713 . . . . 0.0 110.871 176.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 18.8 m -57.7 -44.45 85.87 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 178.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.748 HD11 ' SD ' ' A' ' 8' ' ' MET . 76.8 mt -62.34 -41.84 98.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.431 174.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.701 HD13 ' CD1' ' B' ' 71' ' ' PHE . 16.1 mm -62.8 -44.27 99.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 56.6 m-80 -61.6 -41.89 98.09 Favored 'General case' 0 CA--C 1.51 -0.581 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 -178.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.729 HG21 HD21 ' A' ' 4' ' ' LEU . 54.1 t -64.75 -44.56 96.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.883 174.058 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.455 ' CE1' ' HB2' ' B' ' 28' ' ' LEU . 77.1 t80 -58.32 -48.29 80.99 Favored 'General case' 0 N--CA 1.446 -0.648 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 179.249 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.69 ' CD2' HG22 ' B' ' 12' ' ' ILE . 46.5 m-70 -60.93 -41.84 97.02 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.601 176.561 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.501 ' O ' ' NZ ' ' B' ' 21' ' ' LYS . . . -53.93 -45.49 71.22 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.025 -178.577 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.414 ' CD2' HD13 ' B' ' 36' ' ' LEU . 90.5 m-70 -75.46 -36.03 60.77 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.644 176.567 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 69.8 m -57.37 -41.6 80.5 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 120.39 -0.524 . . . . 0.0 109.631 179.052 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.11 -21.94 54.3 Favored Glycine 0 CA--C 1.527 0.802 0 N-CA-C 111.139 -0.785 . . . . 0.0 111.139 177.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.501 ' NZ ' ' O ' ' B' ' 17' ' ' ALA . 47.9 mmtm -79.66 -75.81 0.24 Allowed 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 -176.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 53.9 mm-40 -116.58 -3.76 11.78 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 -176.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -90.34 165.03 31.08 Favored Glycine 0 CA--C 1.526 0.757 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.67 -174.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.498 ' H ' ' HB2' ' B' ' 27' ' ' LYS . 24.1 t0 -86.86 122.27 30.5 Favored 'General case' 0 CA--C 1.519 -0.233 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 175.543 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.501 ' HD2' ' CE1' ' B' ' 26' ' ' TYR . 7.2 pttm 35.26 -94.27 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.76 0 O-C-N 123.21 0.319 . . . . 0.0 110.544 -175.406 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.501 ' CE1' ' HD2' ' B' ' 25' ' ' LYS . 2.4 p90 -110.03 92.66 4.13 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 171.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.498 ' HB2' ' H ' ' B' ' 24' ' ' ASP . 9.6 mmmm -157.97 159.19 36.21 Favored 'General case' 0 C--N 1.309 -1.163 0 N-CA-C 108.32 -0.992 . . . . 0.0 108.32 176.517 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.455 ' HB2' ' CE1' ' B' ' 15' ' ' PHE . 43.0 tp -124.49 127.38 47.38 Favored 'General case' 0 C--N 1.307 -1.243 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.005 178.353 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.89 158.4 20.6 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 177.622 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.471 ' NZ ' ' O ' ' B' ' 61' ' ' LEU . 12.2 mmmm -71.31 -8.95 57.09 Favored 'General case' 0 CA--C 1.515 -0.385 0 C-N-CA 119.582 -0.847 . . . . 0.0 109.56 -179.339 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.479 ' O ' ' HG2' ' B' ' 35' ' ' GLU . 58.9 mttt -68.66 -52.47 30.79 Favored 'General case' 0 CA--C 1.498 -1.048 0 N-CA-C 107.489 -1.3 . . . . 0.0 107.489 177.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -73.58 -41.66 62.6 Favored 'General case' 0 N--CA 1.434 -1.225 0 CA-C-N 112.864 -1.971 . . . . 0.0 111.063 -177.34 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.708 HD11 ' CD2' ' B' ' 77' ' ' LEU . 2.7 tm? -59.51 -44.52 93.12 Favored 'General case' 0 CA--C 1.513 -0.478 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.848 -172.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.516 ' HG3' ' N ' ' B' ' 35' ' ' GLU . 16.6 pttp -62.45 -45.2 94.13 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 119.143 -1.023 . . . . 0.0 110.199 177.577 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.516 ' N ' ' HG3' ' B' ' 34' ' ' LYS . 66.6 mm-40 -63.81 -47.64 80.02 Favored 'General case' 0 CA--C 1.507 -0.709 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.677 HD21 ' CE1' ' B' ' 74' ' ' TYR . 18.2 tp -59.73 -49.78 76.4 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-N 114.414 -1.266 . . . . 0.0 111.731 178.303 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.664 HD22 ' O ' ' B' ' 37' ' ' LEU . 1.4 tm? -64.34 -47.02 80.97 Favored 'General case' 0 C--N 1.309 -1.186 0 C-N-CA 120.577 -0.449 . . . . 0.0 111.131 -177.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.406 ' HG2' ' O ' ' B' ' 34' ' ' LYS . 12.5 pt20 -69.15 -42.9 75.35 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 119.475 -0.89 . . . . 0.0 110.954 177.06 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.465 ' CB ' ' O ' ' B' ' 35' ' ' GLU . 81.2 m -63.93 -50.89 66.9 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.175 -178.086 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.463 ' OE1' HD23 ' A' ' 4' ' ' LEU . 75.5 mm-40 -85.17 -25.17 27.57 Favored 'General case' 0 CA--C 1.516 -0.354 0 N-CA-C 113.523 0.934 . . . . 0.0 113.523 -172.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.477 ' HB2' HD22 ' B' ' 37' ' ' LEU . 7.6 mp -109.89 30.48 6.66 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 120.624 0.25 . . . . 0.0 110.499 176.156 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 32.5 m -51.44 -39.35 57.19 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.73 0.3 . . . . 0.0 110.398 -177.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -63.98 -49.53 66.83 Favored Glycine 0 N--CA 1.446 -0.674 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 178.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.609 ' HA ' ' SD ' ' B' ' 85' ' ' MET . 45.9 m-85 -64.77 -44.91 88.49 Favored 'General case' 0 CA--C 1.495 -1.156 0 CA-C-O 121.366 0.603 . . . . 0.0 110.294 178.423 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.449 ' O ' HD12 ' B' ' 45' ' ' LEU . 11.2 tp -61.32 -47.51 85.58 Favored 'General case' 0 C--N 1.306 -1.286 0 CA-C-N 114.969 -1.014 . . . . 0.0 111.498 178.414 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -71.31 -40.35 70.87 Favored 'General case' 0 C--N 1.305 -1.335 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.314 -178.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . 0.891 ' HB3' ' SD ' ' B' ' 85' ' ' MET . . . -61.22 -41.79 97.47 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.669 -0.412 . . . . 0.0 110.87 -179.069 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.412 ' NE2' ' HB ' ' B' ' 54' ' ' VAL . 0.0 OUTLIER -120.31 42.34 2.99 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 121.088 0.471 . . . . 0.0 111.373 178.908 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.412 ' NZ ' ' OD1' ' B' ' 50' ' ' ASP . 0.0 OUTLIER -61.71 -40.91 96.71 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.755 177.158 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . 0.412 ' OD1' ' NZ ' ' B' ' 49' ' ' LYS . 71.2 m-20 -81.25 -2.91 50.67 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 114.83 -1.077 . . . . 0.0 111.014 -172.352 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 57.8 t -86.04 131.05 35.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 -179.049 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -57.29 -40.22 77.34 Favored 'General case' 0 CA--C 1.508 -0.666 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.055 -177.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.28 -25.45 9.47 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.139 -178.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.429 ' CG1' ' N ' ' B' ' 55' ' ' ASP . 0.8 OUTLIER -60.15 -47.44 92.01 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 C-N-CA 120.25 -0.58 . . . . 0.0 110.076 179.348 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.563 ' O ' ' N ' ' B' ' 59' ' ' LYS . 32.8 t70 -63.61 -41.4 98.32 Favored 'General case' 0 CA--C 1.499 -0.987 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 174.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . 0.436 ' O ' ' HG3' ' B' ' 60' ' ' GLU . 18.6 mmtp -64.38 -44.25 91.92 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.82 -172.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 1.067 HG12 HD12 ' B' ' 77' ' ' LEU . 90.0 t -63.56 -42.79 97.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 174.222 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . 0.495 ' SD ' HD12 ' B' ' 37' ' ' LEU . 76.4 mmm -61.8 -40.55 95.61 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.219 -0.901 . . . . 0.0 108.835 177.176 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . 0.563 ' N ' ' O ' ' B' ' 55' ' ' ASP . 0.0 OUTLIER -63.07 -42.46 99.67 Favored 'General case' 0 N--CA 1.436 -1.175 0 CA-C-N 114.886 -1.052 . . . . 0.0 110.19 -177.867 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . 0.436 ' HG3' ' O ' ' B' ' 56' ' ' LYS . 90.0 mt-10 -56.9 -44.17 82.07 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.576 ' HG ' HD22 ' B' ' 77' ' ' LEU . 3.1 mm? -64.05 -38.44 91.09 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.53 170.703 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.434 ' OD2' ' NZ ' ' B' ' 59' ' ' LYS . 34.8 t70 -62.32 -40.83 97.61 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.336 177.224 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . 0.532 ' HG2' ' O ' ' B' ' 59' ' ' LYS . 56.1 mm-40 -60.87 -40.73 94.1 Favored 'General case' 0 CA--C 1.513 -0.471 0 N-CA-C 106.632 -1.618 . . . . 0.0 106.632 176.113 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . 0.584 HD22 ' CD ' ' B' ' 73' ' ' GLU . 21.3 t-20 -80.87 35.01 0.36 Allowed 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 114.453 -1.248 . . . . 0.0 109.859 174.502 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.415 ' H ' ' C ' ' B' ' 63' ' ' GLU . . . -96.29 18.32 57.68 Favored Glycine 0 N--CA 1.461 0.327 0 N-CA-C 109.392 -1.483 . . . . 0.0 109.392 178.055 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -61.53 -38.93 89.21 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 123.198 0.599 . . . . 0.0 110.862 -177.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -157.31 -82.49 0.04 OUTLIER Glycine 0 C--N 1.316 -0.533 0 N-CA-C 110.733 -0.947 . . . . 0.0 110.733 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -128.44 167.87 16.42 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 120.972 0.415 . . . . 0.0 110.703 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.847 HG23 ' HB3' ' B' ' 73' ' ' GLU . 0.2 OUTLIER -117.86 132.73 66.82 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.291 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 176.2 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -92.05 177.3 6.21 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.48 -175.238 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.701 ' CD1' HD13 ' B' ' 12' ' ' ILE . 82.4 t80 -60.87 -45.23 95.39 Favored 'General case' 0 C--N 1.32 -0.717 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.613 -178.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.438 ' CG ' HG23 ' A' ' 76' ' ' VAL . 38.7 tt0 -60.74 -40.64 93.16 Favored 'General case' 0 N--CA 1.436 -1.148 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 -178.59 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.847 ' HB3' HG23 ' B' ' 69' ' ' VAL . 24.6 tp10 -66.41 -39.73 89.17 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.388 -0.823 . . . . 0.0 109.626 176.004 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . 0.677 ' CE1' HD21 ' B' ' 36' ' ' LEU . 22.9 t80 -60.45 -47.82 84.46 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.883 179.319 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.773 HG21 ' CB ' ' A' ' 79' ' ' ALA . 28.9 m -63.39 -41.18 91.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 C-N-CA 119.97 -0.692 . . . . 0.0 112.103 -177.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.467 HG12 ' O ' ' B' ' 73' ' ' GLU . 8.7 p -63.98 -38.83 83.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 C-N-CA 120.567 -0.453 . . . . 0.0 111.378 -176.507 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 1.067 HD12 HG12 ' B' ' 57' ' ' VAL . 38.6 tp -60.45 -49.95 75.53 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-O 121.247 0.546 . . . . 0.0 109.572 178.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.522 HG12 HD23 ' B' ' 37' ' ' LEU . 16.7 m -71.28 -41.62 74.48 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.917 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.05 178.159 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.796 ' CB ' HG21 ' A' ' 75' ' ' VAL . . . -62.08 -43.94 97.75 Favored 'General case' 0 CA--C 1.505 -0.764 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.036 -179.379 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.02 -47.59 82.62 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 178.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.614 ' HG ' HG11 ' B' ' 57' ' ' VAL . 82.4 mt -63.1 -42.55 99.61 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.557 176.172 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.487 HG23 ' CZ ' ' B' ' 44' ' ' PHE . 14.9 m -62.15 -52.1 65.2 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 120.429 -0.508 . . . . 0.0 110.254 -179.078 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.76 HG12 ' O ' ' B' ' 79' ' ' ALA . 7.5 p -66.02 -43.53 92.5 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 C-N-CA 120.633 -0.427 . . . . 0.0 111.406 177.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.27 -54.72 43.58 Favored 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.323 -179.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 85' ' ' MET . . . . . 0.891 ' SD ' ' HB3' ' B' ' 47' ' ' ALA . 29.4 ttp -69.14 -45.27 70.52 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 -179.247 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -64.19 -46.75 82.56 Favored 'General case' 0 CA--C 1.513 -0.477 0 N-CA-C 112.146 0.425 . . . . 0.0 112.146 -174.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 18.0 t30 -62.01 -33.76 74.94 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.501 -0.48 . . . . 0.0 111.48 -176.043 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -52.8 -43.4 65.87 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 178.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 -61.29 -41.54 97.15 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.604 -179.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 74.4 m95 -69.78 -45.33 68.22 Favored 'General case' 0 CA--C 1.51 -0.59 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 176.138 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . 0.406 ' HG2' ' CZ ' ' A' ' 26' ' ' TYR . 71.8 mt-10 -65.87 -44.78 84.36 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.483 -178.519 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 58.2 t-20 -97.42 100.62 12.06 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 176.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 C--O 1.206 -1.208 0 CA-C-O 118.503 -0.76 . . . . 0.0 110.052 -174.587 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.462 0.425 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m -71.11 166.65 20.97 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 179.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -62.26 -38.23 88.49 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 174.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.855 HD21 HG21 ' B' ' 14' ' ' VAL . 4.1 mm? -61.14 -44.14 97.78 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 176.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -66.01 -42.31 89.84 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 115.129 -0.942 . . . . 0.0 109.267 177.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.3 m -61.15 -46.14 91.75 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 109.06 -0.718 . . . . 0.0 109.06 176.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.54 -48.84 78.21 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.073 178.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.569 ' SD ' HG23 ' B' ' 78' ' ' VAL . 1.1 mtp -61.78 -44.15 97.44 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.106 -0.638 . . . . 0.0 109.681 179.452 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -62.8 -37.2 85.8 Favored 'General case' 0 CA--C 1.511 -0.55 0 C-N-CA 120.563 -0.455 . . . . 0.0 111.498 176.039 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.9 m -59.92 -46.64 88.73 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 176.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.852 HD23 HD22 ' B' ' 4' ' ' LEU . 85.5 mt -64.17 -41.76 96.99 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.711 175.543 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.456 HG12 ' O ' ' A' ' 8' ' ' MET . 21.0 mm -62.21 -44.41 99.06 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 -179.282 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -62.47 -44.62 95.96 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.294 -178.2 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.727 HG11 HD11 ' B' ' 4' ' ' LEU . 77.2 t -64.18 -45.03 97.52 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.9 175.616 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -59.15 -46.37 88.55 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.731 178.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.537 ' NE2' ' OD1' ' B' ' 86' ' ' ASN . 2.1 m-70 -65.06 -41.15 95.37 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.902 179.569 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.432 ' O ' ' HG3' ' A' ' 21' ' ' LYS . . . -52.91 -49.69 65.45 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.437 ' CD2' HD13 ' A' ' 36' ' ' LEU . 93.7 m-70 -70.06 -37.58 75.55 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.701 176.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.499 ' HB3' ' HA ' ' A' ' 26' ' ' TYR . 37.5 m -54.93 -44.5 74.31 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 119.932 -0.707 . . . . 0.0 109.223 178.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.72 -35.43 89.74 Favored Glycine 0 C--O 1.222 -0.596 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 179.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.432 ' HG3' ' O ' ' A' ' 17' ' ' ALA . 62.2 mttm -63.97 -41.07 97.65 Favored 'General case' 0 C--O 1.242 0.683 0 O-C-N 122.843 -0.21 . . . . 0.0 111.431 -178.046 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.526 ' OE1' HD12 ' A' ' 28' ' ' LEU . 1.8 mt-10 -98.06 -25.27 15.0 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -176.706 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 121.03 -160.03 15.44 Favored Glycine 0 N--CA 1.463 0.46 0 C-N-CA 121.075 -0.583 . . . . 0.0 111.752 177.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.5 t70 64.88 162.92 0.14 Allowed 'General case' 0 C--O 1.24 0.588 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 -175.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.438 ' C ' ' CD2' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -62.65 -49.48 74.99 Favored 'General case' 0 CA--C 1.506 -0.72 0 C-N-CA 119.613 -0.835 . . . . 0.0 109.369 179.302 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.5 ' CE1' ' HA ' ' B' ' 87' ' ' ASN . 0.2 OUTLIER -167.55 94.08 0.42 Allowed 'General case' 0 C--N 1.312 -1.026 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.121 172.018 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.7 mmmm -148.42 161.03 42.41 Favored 'General case' 0 C--N 1.31 -1.123 0 N-CA-C 107.148 -1.427 . . . . 0.0 107.148 173.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.526 HD12 ' OE1' ' A' ' 22' ' ' GLU . 49.7 tp -122.59 131.34 53.78 Favored 'General case' 0 C--N 1.301 -1.52 0 CA-C-O 121.13 0.49 . . . . 0.0 109.921 -179.204 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.433 ' HB2' ' HG3' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -97.19 179.62 4.84 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.007 178.458 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.578 ' NZ ' ' O ' ' A' ' 62' ' ' ASP . 4.7 mmmm -81.87 15.35 2.27 Favored 'General case' 0 C--N 1.314 -0.958 0 C-N-CA 120.545 -0.462 . . . . 0.0 111.578 -175.721 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.433 ' HG3' ' HB2' ' A' ' 29' ' ' SER . 6.5 mttm -91.63 -67.34 0.86 Allowed 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.124 0.488 . . . . 0.0 109.964 -179.498 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.419 ' O ' ' HB3' ' A' ' 36' ' ' LEU . 70.6 mm-40 -66.51 -34.82 78.78 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.412 178.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.565 ' C ' HD13 ' A' ' 33' ' ' LEU . 2.2 tm? -54.76 -46.19 74.33 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -168.443 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.654 ' HZ2' ' HB2' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -61.01 -47.93 84.18 Favored 'General case' 0 CA--C 1.501 -0.921 0 C-N-CA 119.313 -0.955 . . . . 0.0 108.788 -179.857 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.515 ' HA ' HE21 ' A' ' 38' ' ' GLN . 18.8 mm-40 -67.69 -44.05 78.68 Favored 'General case' 0 N--CA 1.431 -1.402 0 CA-C-N 114.307 -1.315 . . . . 0.0 109.207 -176.177 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.669 HD21 ' CE1' ' A' ' 74' ' ' TYR . 3.6 tp -60.09 -49.38 77.88 Favored 'General case' 0 C--N 1.306 -1.321 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.832 176.334 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.688 HD23 HG12 ' A' ' 78' ' ' VAL . 3.0 tm? -63.94 -47.6 79.87 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 120.043 -0.663 . . . . 0.0 111.471 -177.309 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.663 ' HA ' HD22 ' A' ' 45' ' ' LEU . 29.0 pt20 -65.96 -41.27 91.42 Favored 'General case' 0 CA--C 1.511 -0.522 0 C-N-CA 119.338 -0.945 . . . . 0.0 110.593 178.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.444 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 95.5 m -63.51 -53.22 55.42 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 115.653 -0.703 . . . . 0.0 112.146 -177.2 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.694 ' HB3' HD12 ' B' ' 4' ' ' LEU . 75.7 mm-40 -73.81 -40.25 63.5 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 -174.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.477 HD22 HD21 ' A' ' 37' ' ' LEU . 10.1 mp -97.58 41.03 1.13 Allowed 'General case' 0 CA--C 1.508 -0.673 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.776 -178.596 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 73.0 m -52.54 -41.79 63.82 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.384 -178.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.51 -46.07 57.03 Favored Glycine 0 CA--C 1.522 0.495 0 C-N-CA 121.287 -0.482 . . . . 0.0 112.111 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.715 ' HA ' ' SD ' ' A' ' 85' ' ' MET . 59.3 m-85 -69.18 -39.77 78.5 Favored 'General case' 0 CA--C 1.488 -1.432 0 CA-C-O 121.432 0.634 . . . . 0.0 109.99 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.663 HD22 ' HA ' ' A' ' 38' ' ' GLN . 55.8 tp -61.47 -44.11 97.67 Favored 'General case' 0 N--CA 1.423 -1.808 0 CA-C-N 114.93 -1.032 . . . . 0.0 110.482 -179.19 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -55.69 -51.26 67.91 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.086 -177.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.821 ' HB3' ' SD ' ' A' ' 85' ' ' MET . . . -68.89 -40.4 79.23 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.732 179.159 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 60.1 mm-40 -65.97 -29.26 69.62 Favored 'General case' 0 CA--C 1.511 -0.523 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -176.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.567 ' HE3' HD11 ' A' ' 45' ' ' LEU . 22.2 mmtp -59.17 -39.85 83.79 Favored 'General case' 0 C--N 1.311 -1.102 0 C-N-CA 120.088 -0.645 . . . . 0.0 110.844 179.228 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -69.92 -8.13 46.19 Favored 'General case' 0 C--N 1.313 -1.006 0 C-N-CA 120.611 -0.436 . . . . 0.0 110.839 177.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.743 ' O ' HG12 ' A' ' 54' ' ' VAL . 62.0 t -105.94 131.54 55.24 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 -177.768 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -61.04 -37.5 82.83 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.104 0.478 . . . . 0.0 110.941 -178.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.413 ' H ' HG12 ' A' ' 51' ' ' VAL . . . -51.83 -25.17 7.22 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.496 -174.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.743 HG12 ' O ' ' A' ' 51' ' ' VAL . 13.3 p -59.85 -42.22 88.35 Favored 'Isoleucine or valine' 0 C--O 1.24 0.577 0 C-N-CA 120.079 -0.648 . . . . 0.0 109.904 179.697 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -59.17 -49.22 78.7 Favored 'General case' 0 CA--C 1.504 -0.819 0 CA-C-O 121.619 0.723 . . . . 0.0 109.888 177.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 50.7 mttp -64.11 -42.45 96.86 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-N 114.33 -1.305 . . . . 0.0 112.43 -175.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.482 HG12 HD12 ' A' ' 77' ' ' LEU . 71.6 t -66.69 -47.53 82.87 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.805 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 178.482 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 64.5 ttp -61.89 -39.16 90.97 Favored 'General case' 0 N--CA 1.43 -1.438 0 CA-C-N 114.375 -1.284 . . . . 0.0 110.473 178.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -63.03 -49.49 74.41 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.28 -178.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -64.74 -43.34 93.67 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.227 -0.589 . . . . 0.0 110.849 179.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.423 ' HG ' ' HB2' ' A' ' 77' ' ' LEU . 2.3 mm? -62.82 -39.75 95.26 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.866 174.66 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.578 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . 37.2 t0 -60.86 -45.1 95.86 Favored 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.277 176.594 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -64.2 -43.33 95.38 Favored 'General case' 0 CA--C 1.513 -0.473 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 178.085 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.492 ' C ' ' H ' ' A' ' 66' ' ' ASP . 13.3 t-20 -63.3 -41.86 99.0 Favored 'General case' 0 C--N 1.313 -1.015 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 179.356 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.44 ' HA3' ' HD3' ' A' ' 30' ' ' LYS . . . -71.72 41.29 0.68 Allowed Glycine 0 C--N 1.319 -0.364 0 N-CA-C 110.083 -1.207 . . . . 0.0 110.083 176.668 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.492 ' H ' ' C ' ' A' ' 64' ' ' ASN . 35.1 t70 -62.37 -39.68 93.97 Favored 'General case' 0 CA--C 1.501 -0.915 0 CA-C-O 121.225 0.536 . . . . 0.0 109.558 -179.538 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -116.22 -62.51 0.34 Allowed Glycine 0 C--N 1.31 -0.911 0 N-CA-C 109.307 -1.517 . . . . 0.0 109.307 176.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -135.38 157.6 46.48 Favored 'General case' 0 C--N 1.314 -0.958 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 176.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.659 HG23 ' CB ' ' A' ' 73' ' ' GLU . 1.5 p -113.19 124.38 69.77 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.235 0 N-CA-C 106.625 -1.62 . . . . 0.0 106.625 170.542 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.578 ' CG ' ' H ' ' A' ' 71' ' ' PHE . 14.0 t70 -92.62 179.36 5.52 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.604 -173.251 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.578 ' H ' ' CG ' ' A' ' 70' ' ' ASP . 58.6 t80 -58.42 -43.57 88.72 Favored 'General case' 0 C--N 1.306 -1.283 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 -179.574 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -59.32 -43.79 92.66 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.897 179.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.659 ' CB ' HG23 ' A' ' 69' ' ' VAL . 1.7 mp0 -66.31 -38.93 88.84 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.277 0.56 . . . . 0.0 109.944 175.054 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.669 ' CE1' HD21 ' A' ' 36' ' ' LEU . 43.4 t80 -60.82 -48.07 83.46 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.339 -179.025 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.687 HG21 ' CB ' ' B' ' 79' ' ' ALA . 13.5 m -64.57 -41.89 93.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 C-N-CA 119.846 -0.742 . . . . 0.0 112.064 179.766 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.416 HG12 ' HA ' ' A' ' 73' ' ' GLU . 14.7 p -65.41 -40.1 87.3 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 C-N-CA 120.02 -0.672 . . . . 0.0 111.057 -179.4 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.532 HD23 HD21 ' A' ' 33' ' ' LEU . 48.0 tp -60.89 -48.67 80.76 Favored 'General case' 0 CA--C 1.509 -0.62 0 C-N-CA 120.571 -0.452 . . . . 0.0 110.345 179.519 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.688 HG12 HD23 ' A' ' 37' ' ' LEU . 13.6 m -69.4 -42.73 81.18 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.84 0 C-N-CA 120.115 -0.634 . . . . 0.0 110.843 178.304 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.703 ' CB ' HG21 ' B' ' 75' ' ' VAL . . . -62.94 -42.6 99.86 Favored 'General case' 0 CA--C 1.508 -0.647 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.481 179.51 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.438 ' HB3' HG11 ' A' ' 57' ' ' VAL . . . -56.79 -49.23 75.95 Favored 'General case' 0 CA--C 1.51 -0.585 0 CA-C-O 121.371 0.605 . . . . 0.0 109.87 -178.641 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 90.7 mt -63.08 -41.19 99.36 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.153 -0.93 . . . . 0.0 109.334 176.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.591 HG23 ' CZ ' ' A' ' 44' ' ' PHE . 23.4 m -61.75 -51.75 67.04 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.219 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.436 HG12 ' O ' ' A' ' 79' ' ' ALA . 7.3 p -63.16 -44.9 99.63 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.409 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.627 -179.623 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.31 -51.71 68.3 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.23 178.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.821 ' SD ' ' HB3' ' A' ' 47' ' ' ALA . 26.2 ttp -68.16 -42.72 79.61 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 119.761 -0.776 . . . . 0.0 110.627 179.606 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.498 ' OD1' HG21 ' B' ' 12' ' ' ILE . 0.4 OUTLIER -48.84 -29.64 4.86 Favored 'General case' 0 CA--C 1.501 -0.92 0 C-N-CA 120.545 -0.462 . . . . 0.0 110.874 -176.073 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -46.66 -38.78 10.26 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.619 176.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.467 ' HA ' ' O ' ' A' ' 92' ' ' ASN . 63.5 m-85 -63.09 -43.54 98.22 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.247 177.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 15.3 m-30 -61.44 -48.44 81.15 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.21 -176.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.451 ' CE2' ' ND1' ' B' ' 16' ' ' HIS . 25.4 m95 -86.27 -46.39 10.38 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -176.304 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.459 ' OE2' ' NZ ' ' B' ' 25' ' ' LYS . 77.0 mt-10 -107.75 -64.65 1.18 Allowed 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 114.263 1.209 . . . . 0.0 114.263 -173.387 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.467 ' O ' ' HA ' ' A' ' 88' ' ' PHE . 63.2 t-20 -84.03 100.05 10.83 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 119.791 -0.763 . . . . 0.0 110.76 -173.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.199 -1.574 0 CA-C-O 118.379 -0.82 . . . . 0.0 110.246 -176.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.374 0 N-CA-C 110.421 -1.072 . . . . 0.0 110.421 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 28.0 m -72.71 152.69 41.53 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 -178.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.426 ' H ' ' CD ' ' B' ' 3' ' ' GLU . 56.1 mp0 -53.55 -20.41 4.96 Favored 'General case' 0 CA--C 1.517 -0.316 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 177.512 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.852 HD22 HD23 ' A' ' 11' ' ' LEU . 77.2 mt -61.59 -41.23 97.12 Favored 'General case' 0 N--CA 1.437 -1.124 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 177.615 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -61.8 -43.81 98.11 Favored 'General case' 0 N--CA 1.445 -0.713 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 178.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.408 ' O ' ' N ' ' B' ' 10' ' ' THR . 9.9 m -61.44 -43.53 98.7 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.47 174.636 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.94 -47.06 87.32 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.955 177.048 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . 0.557 ' SD ' HD12 ' B' ' 11' ' ' LEU . 97.3 mmm -63.69 -39.88 95.41 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 178.066 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.448 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 50.4 mm-40 -61.14 -40.89 95.55 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 173.12 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.581 ' O ' HG23 ' B' ' 14' ' ' VAL . 7.5 m -60.6 -44.62 96.08 Favored 'General case' 0 N--CA 1.443 -0.795 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 176.489 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.688 HD23 ' CD1' ' A' ' 4' ' ' LEU . 87.4 mt -62.58 -43.49 98.67 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.034 176.54 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.498 HG21 ' OD1' ' A' ' 86' ' ' ASN . 11.0 mm -63.32 -44.75 99.24 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.16 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 178.553 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 49.0 m-80 -62.47 -43.51 98.63 Favored 'General case' 0 CA--C 1.504 -0.789 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.537 -178.468 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.855 HG21 HD21 ' A' ' 4' ' ' LEU . 85.0 t -64.69 -46.6 91.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 176.111 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.562 ' CE1' ' HB2' ' B' ' 28' ' ' LEU . 75.9 t80 -58.94 -47.68 84.19 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.323 179.272 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.555 ' NE2' ' HB3' ' B' ' 26' ' ' TYR . 9.8 m-70 -60.63 -39.36 87.99 Favored 'General case' 0 CA--C 1.505 -0.762 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.805 177.449 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.521 ' O ' ' HG2' ' B' ' 21' ' ' LYS . . . -54.07 -51.4 64.22 Favored 'General case' 0 C--N 1.318 -0.794 0 C-N-CA 120.121 -0.632 . . . . 0.0 109.618 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.701 ' CD2' HD22 ' B' ' 36' ' ' LEU . 98.5 m-70 -66.95 -39.96 87.41 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.08 177.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 47.1 m -56.6 -41.57 77.25 Favored 'General case' 0 CA--C 1.517 -0.29 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 173.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.88 -39.93 98.63 Favored Glycine 0 N--CA 1.449 -0.494 0 N-CA-C 110.552 -1.019 . . . . 0.0 110.552 176.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.521 ' HG2' ' O ' ' B' ' 17' ' ' ALA . 75.6 mmtt -63.2 -47.42 82.63 Favored 'General case' 0 CA--C 1.513 -0.463 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 178.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.575 ' CD ' ' H ' ' B' ' 29' ' ' SER . 99.1 mt-10 -71.05 -41.29 70.98 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.182 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 133.01 -25.26 3.71 Favored Glycine 0 CA--C 1.535 1.319 0 C-N-CA 121.571 -0.347 . . . . 0.0 112.935 175.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -68.01 151.61 46.81 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 117.312 0.556 . . . . 0.0 111.037 -177.046 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.585 ' HG2' ' N ' ' B' ' 26' ' ' TYR . 0.1 OUTLIER -59.36 -42.31 91.31 Favored 'General case' 0 C--O 1.24 0.598 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 176.764 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.585 ' N ' ' HG2' ' B' ' 25' ' ' LYS . 2.3 p90 -166.04 94.61 0.57 Allowed 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.337 168.401 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.477 ' NZ ' ' OE1' ' B' ' 68' ' ' GLU . 2.6 mmmm -154.7 157.29 37.86 Favored 'General case' 0 C--N 1.312 -1.057 0 N-CA-C 106.534 -1.654 . . . . 0.0 106.534 171.39 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.562 ' HB2' ' CE1' ' B' ' 15' ' ' PHE . 43.0 tp -125.31 127.66 47.01 Favored 'General case' 0 C--N 1.3 -1.553 0 C-N-CA 119.931 -0.708 . . . . 0.0 111.033 179.016 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.575 ' H ' ' CD ' ' B' ' 22' ' ' GLU . 1.5 m -96.44 162.8 13.32 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 176.704 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.622 ' NZ ' ' O ' ' B' ' 61' ' ' LEU . 2.7 mmmm -70.4 -6.66 37.18 Favored 'General case' 0 C--N 1.312 -1.054 0 C-N-CA 119.9 -0.72 . . . . 0.0 112.01 -175.282 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.558 ' HD2' ' HG2' ' B' ' 22' ' ' GLU . 0.2 OUTLIER -70.56 -53.21 16.96 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.056 -0.657 . . . . 0.0 110.79 177.781 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' B' ' 36' ' ' LEU . 75.1 mm-40 -73.83 -40.7 63.13 Favored 'General case' 0 C--O 1.219 -0.518 0 N-CA-C 112.089 0.404 . . . . 0.0 112.089 175.235 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.735 HD11 ' CD2' ' B' ' 77' ' ' LEU . 2.3 tm? -58.54 -48.87 79.45 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 -167.592 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.414 ' N ' HD13 ' B' ' 33' ' ' LEU . 19.9 pttp -65.27 -38.08 89.18 Favored 'General case' 0 C--N 1.314 -0.968 0 C-N-CA 119.132 -1.027 . . . . 0.0 110.625 179.763 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.446 ' HA ' HE21 ' B' ' 38' ' ' GLN . 80.0 mm-40 -65.68 -46.38 79.27 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 174.017 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.737 HD21 ' CE1' ' B' ' 74' ' ' TYR . 3.3 tp -61.44 -48.01 83.12 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.613 -0.722 . . . . 0.0 111.408 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.632 HD22 ' HB2' ' B' ' 41' ' ' LEU . 1.4 tm? -63.42 -46.56 85.79 Favored 'General case' 0 C--N 1.316 -0.854 0 C-N-CA 120.663 -0.415 . . . . 0.0 111.132 -179.289 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.446 HE21 ' HA ' ' B' ' 35' ' ' GLU . 24.5 pt20 -67.16 -42.69 83.91 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 119.866 -0.733 . . . . 0.0 110.811 177.736 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 63.5 m -62.68 -52.17 64.36 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.626 -0.715 . . . . 0.0 112.635 -178.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -79.07 -39.49 33.67 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 113.214 0.82 . . . . 0.0 113.214 -176.151 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.632 ' HB2' HD22 ' B' ' 37' ' ' LEU . 6.9 mp -102.92 33.46 3.24 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.657 -176.002 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 51.3 m -51.23 -40.0 57.84 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.274 -178.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.02 -49.5 62.22 Favored Glycine 0 C--O 1.243 0.684 0 N-CA-C 110.757 -0.937 . . . . 0.0 110.757 178.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.611 ' HA ' ' SD ' ' B' ' 85' ' ' MET . 63.7 m-85 -64.2 -43.39 95.21 Favored 'General case' 0 CA--C 1.5 -0.944 0 CA-C-O 121.468 0.652 . . . . 0.0 109.699 177.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.504 ' O ' HD12 ' B' ' 45' ' ' LEU . 3.1 tp -60.85 -47.73 85.01 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.715 178.419 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.467 ' OD1' ' NZ ' ' B' ' 49' ' ' LYS . 29.8 t70 -61.84 -41.91 98.39 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 120.699 -0.4 . . . . 0.0 111.396 178.779 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.25 -35.52 81.1 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.424 177.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.717 HE22 HG11 ' B' ' 51' ' ' VAL . 13.2 mm100 -89.42 -1.89 58.21 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 114.3 1.222 . . . . 0.0 114.3 -173.252 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.502 ' HG3' ' O ' ' B' ' 45' ' ' LEU . 31.0 mtmt -60.4 -43.08 97.02 Favored 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 113.49 0.922 . . . . 0.0 113.49 -171.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -86.48 -4.58 59.2 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 120.22 -0.592 . . . . 0.0 111.453 -178.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . 0.717 HG11 HE22 ' B' ' 48' ' ' GLN . 60.7 t -82.76 133.55 28.85 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.011 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.45 -178.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -57.62 -40.75 79.88 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.106 -178.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.532 ' O ' HG23 ' B' ' 57' ' ' VAL . . . -53.95 -31.04 49.23 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.581 -177.241 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.428 HG12 ' O ' ' B' ' 51' ' ' VAL . 1.4 p -59.76 -44.58 94.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 C-N-CA 119.352 -0.939 . . . . 0.0 109.773 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.541 ' O ' ' N ' ' B' ' 59' ' ' LYS . 23.1 t70 -62.45 -48.67 78.62 Favored 'General case' 0 CA--C 1.497 -1.087 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 176.052 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -64.97 -42.33 94.65 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.924 -173.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.532 HG23 ' O ' ' B' ' 53' ' ' ALA . 87.0 t -67.36 -44.61 87.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 177.384 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . 0.462 ' O ' ' N ' ' B' ' 62' ' ' ASP . 66.5 ttp -61.73 -40.32 94.64 Favored 'General case' 0 N--CA 1.433 -1.276 0 CA-C-N 114.641 -1.163 . . . . 0.0 109.978 175.433 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . 0.541 ' N ' ' O ' ' B' ' 55' ' ' ASP . 0.1 OUTLIER -61.1 -45.17 95.79 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.368 179.902 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -57.4 -46.98 82.88 Favored 'General case' 0 C--O 1.243 0.759 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 178.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.622 ' O ' ' NZ ' ' B' ' 30' ' ' LYS . 2.2 mm? -63.63 -42.21 98.2 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.028 173.518 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' B' ' 58' ' ' MET . 29.2 t70 -56.55 -48.13 77.97 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-O 121.207 0.527 . . . . 0.0 109.784 -178.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -66.04 -37.27 85.45 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.906 176.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . 0.487 ' C ' ' H ' ' B' ' 66' ' ' ASP . 3.1 t-20 -65.39 -8.48 18.92 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.063 177.588 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.463 ' HA2' ' NZ ' ' B' ' 30' ' ' LYS . . . -60.59 3.63 0.36 Allowed Glycine 0 N--CA 1.472 1.043 0 N-CA-C 111.479 -0.649 . . . . 0.0 111.479 177.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.487 ' H ' ' C ' ' B' ' 64' ' ' ASN . 54.8 m-20 -60.94 -40.2 92.36 Favored 'General case' 0 CA--C 1.504 -0.824 0 N-CA-C 108.045 -1.095 . . . . 0.0 108.045 176.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -141.26 -139.46 3.68 Favored Glycine 0 C--O 1.244 0.725 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 178.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.477 ' OE1' ' NZ ' ' B' ' 27' ' ' LYS . 92.8 mt-10 -90.43 164.99 14.08 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 121.29 0.567 . . . . 0.0 111.002 -178.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.708 HG23 ' HB2' ' B' ' 73' ' ' GLU . 1.4 p -116.53 125.68 73.64 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.266 0 N-CA-C 107.283 -1.377 . . . . 0.0 107.283 173.489 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.59 ' CG ' ' H ' ' B' ' 71' ' ' PHE . 44.3 t0 -99.77 -175.8 3.08 Favored 'General case' 0 C--N 1.307 -1.253 0 C-N-CA 120.498 -0.481 . . . . 0.0 111.163 -173.688 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.59 ' H ' ' CG ' ' B' ' 70' ' ' ASP . 45.4 t80 -58.46 -45.23 89.02 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.152 0.501 . . . . 0.0 110.113 -172.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -59.19 -45.03 92.12 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.634 177.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.708 ' HB2' HG23 ' B' ' 69' ' ' VAL . 1.9 mp0 -68.04 -38.24 82.26 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.246 0.546 . . . . 0.0 110.304 176.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . 0.737 ' CE1' HD21 ' B' ' 36' ' ' LEU . 29.5 t80 -60.92 -48.31 82.42 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.693 179.416 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.703 HG21 ' CB ' ' A' ' 79' ' ' ALA . 34.0 m -63.2 -41.49 92.98 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 C-N-CA 119.915 -0.714 . . . . 0.0 112.072 -179.024 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.412 HG12 ' O ' ' B' ' 73' ' ' GLU . 10.6 p -64.81 -38.38 82.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 C-N-CA 120.206 -0.598 . . . . 0.0 110.818 -179.167 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.735 ' CD2' HD11 ' B' ' 33' ' ' LEU . 61.2 tp -61.47 -48.2 82.2 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-O 120.866 0.365 . . . . 0.0 110.257 179.445 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.569 HG23 ' SD ' ' A' ' 8' ' ' MET . 27.7 m -70.43 -39.7 76.69 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.636 0 C-N-CA 120.075 -0.65 . . . . 0.0 111.188 177.559 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.687 ' CB ' HG21 ' A' ' 75' ' ' VAL . . . -63.95 -40.82 97.29 Favored 'General case' 0 CA--C 1.508 -0.669 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.45 177.689 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . 0.459 ' O ' HG12 ' B' ' 83' ' ' VAL . . . -56.64 -50.39 72.19 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-O 121.259 0.552 . . . . 0.0 109.571 -178.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.525 HD12 HD21 ' B' ' 37' ' ' LEU . 99.6 mt -64.8 -41.4 95.83 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.57 177.182 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.593 HG23 ' CZ ' ' B' ' 44' ' ' PHE . 19.5 m -63.04 -48.64 77.85 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.968 179.111 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.459 HG12 ' O ' ' B' ' 80' ' ' ALA . 7.7 p -62.82 -43.54 98.9 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.107 -179.623 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.19 -51.29 70.61 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.372 178.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 85' ' ' MET . . . . . 0.611 ' SD ' ' HA ' ' B' ' 44' ' ' PHE . 27.0 ttt -65.13 -41.68 94.58 Favored 'General case' 0 CA--C 1.508 -0.639 0 C-N-CA 119.945 -0.702 . . . . 0.0 109.379 177.708 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.537 ' OD1' ' NE2' ' A' ' 16' ' ' HIS . 26.8 t-20 -60.82 -40.13 91.62 Favored 'General case' 0 CA--C 1.501 -0.911 0 C-N-CA 120.223 -0.591 . . . . 0.0 109.473 -179.201 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . 0.5 ' HA ' ' CE1' ' A' ' 26' ' ' TYR . 37.3 t30 -58.28 -46.11 86.66 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.07 -0.513 . . . . 0.0 109.86 178.282 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.544 ' O ' ' N ' ' B' ' 92' ' ' ASN . 60.9 m-85 -68.93 -33.26 73.45 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.048 176.1 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . 0.492 ' HB2' ' HA ' ' B' ' 86' ' ' ASN . 5.5 t80 -50.32 -48.19 55.41 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.003 -173.378 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . 0.485 ' CD1' ' O ' ' B' ' 86' ' ' ASN . 17.9 m95 -73.85 -47.25 39.74 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.809 179.085 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -71.28 -54.59 10.35 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -176.155 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . 0.544 ' N ' ' O ' ' B' ' 88' ' ' PHE . 45.7 t30 -142.59 104.01 4.32 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.042 -177.074 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . 0.432 ' HB2' ' HA ' ' B' ' 89' ' ' PHE . 5.1 m . . . . . 0 C--O 1.208 -1.082 0 CA-C-O 118.836 -0.602 . . . . 0.0 109.826 179.045 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.433 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 m -81.07 173.28 12.73 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.53 0.205 . . . . 0.0 110.653 -179.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 55.9 mp0 -57.54 -48.84 78.21 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-O 121.103 0.478 . . . . 0.0 110.585 -178.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.829 ' CD1' HD23 ' B' ' 11' ' ' LEU . 0.9 OUTLIER -62.48 -43.61 98.39 Favored 'General case' 0 C--N 1.314 -0.946 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 -178.434 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.42 ' HG2' ' HD2' ' B' ' 44' ' ' PHE . 61.4 mt-10 -65.62 -45.49 82.9 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-N 115.04 -0.982 . . . . 0.0 109.265 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 14.6 m -62.49 -44.8 95.5 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.365 175.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.566 ' HB1' ' HB1' ' B' ' 7' ' ' ALA . . . -54.42 -49.82 69.08 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.309 178.719 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.597 ' SD ' HD11 ' B' ' 11' ' ' LEU . 94.3 mmm -63.82 -41.48 97.85 Favored 'General case' 0 CA--C 1.513 -0.446 0 C-N-CA 119.876 -0.73 . . . . 0.0 110.587 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.4 ' HA ' ' HB ' ' A' ' 12' ' ' ILE . 91.0 mt-10 -66.14 -35.1 79.59 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 119.998 -0.681 . . . . 0.0 111.292 176.47 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.45 HG22 ' CD1' ' B' ' 4' ' ' LEU . 10.0 m -56.53 -43.4 79.81 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 107.907 -1.146 . . . . 0.0 107.907 178.431 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.667 HD23 HD12 ' B' ' 4' ' ' LEU . 83.3 mt -62.91 -41.1 99.34 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.636 174.415 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.543 HG22 ' CD2' ' A' ' 16' ' ' HIS . 25.6 mm -62.44 -43.47 98.28 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 179.436 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -60.2 -44.59 95.0 Favored 'General case' 0 CA--C 1.505 -0.755 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 -178.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 55.4 t -63.89 -45.9 95.7 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.688 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.067 176.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.425 ' CE1' ' HB2' ' A' ' 28' ' ' LEU . 64.0 t80 -59.67 -48.18 82.68 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.507 -178.024 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.58 ' NE2' ' OD1' ' B' ' 86' ' ' ASN . 74.5 m-70 -60.57 -40.95 93.57 Favored 'General case' 0 CA--C 1.508 -0.642 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.301 176.378 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.462 ' O ' ' NZ ' ' A' ' 21' ' ' LYS . . . -53.45 -48.82 68.49 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.833 -176.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -76.61 -37.9 55.66 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.698 178.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 65.5 m -57.68 -42.99 84.73 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-O 121.164 0.507 . . . . 0.0 110.017 178.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.32 -42.19 93.45 Favored Glycine 0 N--CA 1.446 -0.694 0 N-CA-C 110.731 -0.948 . . . . 0.0 110.731 -178.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.462 ' NZ ' ' O ' ' A' ' 17' ' ' ALA . 1.5 mmtp -65.36 -46.73 79.02 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.182 0.515 . . . . 0.0 109.612 -178.457 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.524 ' OE1' ' N ' ' A' ' 29' ' ' SER . 99.1 mt-10 -70.45 -41.53 72.7 Favored 'General case' 0 N--CA 1.441 -0.912 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.314 -176.144 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 160.33 -73.13 0.21 Allowed Glycine 0 CA--C 1.522 0.474 0 C-N-CA 119.999 -1.095 . . . . 0.0 113.141 177.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -60.52 157.07 14.93 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -172.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.626 ' HG3' ' CE2' ' A' ' 26' ' ' TYR . 0.5 OUTLIER -66.33 -30.83 71.31 Favored 'General case' 0 C--O 1.241 0.623 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 175.482 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.626 ' CE2' ' HG3' ' A' ' 25' ' ' LYS . 0.6 OUTLIER -149.37 91.83 1.87 Allowed 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.468 173.24 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.407 ' HD2' ' HA ' ' A' ' 27' ' ' LYS . 12.6 mmmm -159.71 155.42 25.97 Favored 'General case' 0 CA--C 1.501 -0.906 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 167.114 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.565 HD21 HD23 ' A' ' 33' ' ' LEU . 53.6 tp -129.09 132.48 47.42 Favored 'General case' 0 C--N 1.304 -1.411 0 C-N-CA 120.583 -0.447 . . . . 0.0 109.908 177.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.557 ' HB2' ' HG3' ' A' ' 31' ' ' LYS . 1.1 m -104.34 173.92 6.09 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 -179.382 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.546 ' NZ ' ' O ' ' A' ' 61' ' ' LEU . 11.2 mmmm -76.33 -5.98 49.5 Favored 'General case' 0 C--N 1.315 -0.902 0 C-N-CA 120.459 -0.496 . . . . 0.0 111.467 -175.644 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.557 ' HG3' ' HB2' ' A' ' 29' ' ' SER . 0.0 OUTLIER -67.67 -69.69 0.3 Allowed 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 178.813 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.464 ' O ' ' N ' ' A' ' 36' ' ' LEU . 58.7 mm-40 -69.77 -35.12 74.65 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.266 -0.879 . . . . 0.0 112.19 179.579 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.767 ' O ' HD22 ' A' ' 33' ' ' LEU . 1.2 tm? -56.62 -50.04 73.19 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 113.264 0.839 . . . . 0.0 113.264 -167.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.435 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 7.5 mtmp? -63.59 -41.68 98.33 Favored 'General case' 0 CA--C 1.508 -0.655 0 C-N-CA 118.391 -1.323 . . . . 0.0 110.69 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.413 ' O ' ' OG1' ' A' ' 39' ' ' THR . 92.9 mt-10 -65.37 -44.08 88.72 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.933 -0.765 . . . . 0.0 108.933 176.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.492 ' O ' HD12 ' A' ' 36' ' ' LEU . 3.2 tp -60.43 -48.42 81.85 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.334 179.383 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.681 HD23 HG12 ' A' ' 78' ' ' VAL . 3.1 tm? -63.42 -48.21 78.73 Favored 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 119.911 -0.716 . . . . 0.0 111.424 -178.137 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.573 ' HA ' HD22 ' A' ' 45' ' ' LEU . 19.9 pt20 -66.0 -40.12 90.88 Favored 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 120.15 -0.62 . . . . 0.0 110.348 178.583 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.413 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 71.2 m -65.32 -52.86 51.19 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 115.558 -0.746 . . . . 0.0 112.877 -177.672 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.405 ' HG2' HD12 ' A' ' 36' ' ' LEU . 79.5 mm-40 -73.83 -40.67 63.16 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 119.729 -0.788 . . . . 0.0 112.146 -175.723 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.632 HD22 HD21 ' A' ' 37' ' ' LEU . 10.5 mp -88.35 44.78 1.22 Allowed 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.596 -178.24 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.57 -47.33 73.42 Favored 'General case' 0 C--N 1.31 -1.121 0 C-N-CA 120.96 -0.296 . . . . 0.0 111.633 -175.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.426 ' H ' ' CD ' ' B' ' 5' ' ' GLU . . . -70.24 -43.99 61.37 Favored Glycine 0 CA--C 1.522 0.494 0 N-CA-C 111.384 -0.686 . . . . 0.0 111.384 178.478 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.612 ' HA ' ' SD ' ' A' ' 85' ' ' MET . 41.8 m-85 -66.69 -42.44 86.48 Favored 'General case' 0 CA--C 1.499 -1.012 0 CA-C-O 121.068 0.461 . . . . 0.0 110.008 178.172 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.573 HD22 ' HA ' ' A' ' 38' ' ' GLN . 46.5 tp -61.14 -45.75 93.38 Favored 'General case' 0 N--CA 1.431 -1.423 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.023 174.302 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.481 ' O ' ' HE2' ' A' ' 49' ' ' LYS . 34.9 t70 -56.15 -47.24 78.6 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.021 0.439 . . . . 0.0 110.294 -179.764 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.737 ' HB3' ' SD ' ' A' ' 85' ' ' MET . . . -67.03 -36.51 82.26 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.909 175.498 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.458 ' HG2' ' O ' ' A' ' 44' ' ' PHE . 82.0 mm-40 -84.78 1.04 48.54 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 -174.566 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.57 ' HG3' ' O ' ' A' ' 45' ' ' LEU . 41.6 mtmt -58.89 -37.12 75.86 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 120.736 -0.385 . . . . 0.0 111.274 -176.339 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -114.38 36.48 3.74 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.866 0.365 . . . . 0.0 111.407 -179.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.52 ' C ' ' H ' ' A' ' 53' ' ' ALA . 57.6 t -112.64 -13.32 11.4 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 N-CA-C 111.841 0.312 . . . . 0.0 111.841 -179.533 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.52 ' OD1' ' NZ ' ' A' ' 56' ' ' LYS . 7.3 t70 62.17 -30.65 0.08 Allowed 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 112.889 0.699 . . . . 0.0 112.889 178.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.547 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -54.49 -33.07 59.13 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.014 0.435 . . . . 0.0 110.669 -178.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.755 ' HA ' HD21 ' A' ' 81' ' ' LEU . 9.7 p -58.81 -44.31 90.11 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.814 179.06 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 59' ' ' LYS . 31.3 t70 -61.16 -45.14 95.84 Favored 'General case' 0 CA--C 1.502 -0.895 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.296 176.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.52 ' NZ ' ' OD1' ' A' ' 52' ' ' ASP . 37.1 mttp -64.17 -45.34 88.83 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 115.001 -1.0 . . . . 0.0 110.792 -178.325 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.932 HG12 HD12 ' A' ' 77' ' ' LEU . 57.3 t -65.09 -44.8 95.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 177.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.464 ' O ' ' N ' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -67.1 -22.05 65.83 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.4 175.541 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 55' ' ' ASP . 0.5 OUTLIER -62.73 -43.55 98.5 Favored 'General case' 0 CA--C 1.502 -0.888 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.219 -178.833 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.415 ' O ' ' N ' ' A' ' 64' ' ' ASN . 95.9 mt-10 -58.58 -41.56 86.04 Favored 'General case' 0 N--CA 1.437 -1.112 0 N-CA-C 107.769 -1.197 . . . . 0.0 107.769 176.102 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.797 ' CD1' HD22 ' A' ' 77' ' ' LEU . 39.0 mt -65.24 -37.85 88.53 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.985 175.332 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 58' ' ' MET . 94.0 m-20 -61.75 -43.0 99.7 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 176.276 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -68.62 -48.92 62.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.652 0.739 . . . . 0.0 109.57 177.465 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.584 ' C ' ' H ' ' A' ' 66' ' ' ASP . 14.2 t-20 -68.1 -18.05 64.55 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.845 -1.07 . . . . 0.0 111.36 -178.234 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 61' ' ' LEU . . . -65.23 22.84 0.12 Allowed Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.741 -0.544 . . . . 0.0 111.741 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.584 ' H ' ' C ' ' A' ' 64' ' ' ASN . 37.0 t70 -62.08 -41.66 98.4 Favored 'General case' 0 CA--C 1.506 -0.728 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 175.697 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -126.47 -74.36 0.21 Allowed Glycine 0 N--CA 1.45 -0.417 0 N-CA-C 110.471 -1.051 . . . . 0.0 110.471 178.382 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -148.49 177.49 9.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.83 0.348 . . . . 0.0 111.205 -178.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.412 HG23 ' CB ' ' A' ' 73' ' ' GLU . 2.0 p -126.51 135.89 62.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.426 -0.806 . . . . 0.0 108.958 174.002 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -95.48 -179.8 4.89 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 121.372 0.606 . . . . 0.0 111.978 -175.125 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.549 ' O ' HG22 ' A' ' 75' ' ' VAL . 78.1 t80 -61.74 -45.17 95.08 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.596 178.03 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -61.27 -40.95 95.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.093 -178.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.412 ' CB ' HG23 ' A' ' 69' ' ' VAL . 92.6 mt-10 -68.06 -40.44 82.78 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 121.397 0.618 . . . . 0.0 109.449 174.271 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.476 ' CE1' HD21 ' A' ' 36' ' ' LEU . 29.3 t80 -60.93 -48.82 80.06 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.59 -0.732 . . . . 0.0 112.153 178.796 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.876 HG21 ' CB ' ' B' ' 79' ' ' ALA . 16.7 m -64.12 -42.81 96.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 C-N-CA 120.064 -0.654 . . . . 0.0 112.01 -178.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 14.9 p -65.07 -33.25 62.44 Favored 'Isoleucine or valine' 0 C--O 1.237 0.424 0 C-N-CA 120.092 -0.643 . . . . 0.0 110.324 178.221 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.932 HD12 HG12 ' A' ' 57' ' ' VAL . 49.0 tp -60.15 -49.24 78.44 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.739 179.182 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.681 HG12 HD23 ' A' ' 37' ' ' LEU . 8.6 m -73.0 -42.01 59.68 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.923 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.901 178.213 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.864 ' CB ' HG21 ' B' ' 75' ' ' VAL . . . -62.3 -40.97 98.05 Favored 'General case' 0 CA--C 1.513 -0.442 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.71 -178.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.12 -45.23 87.65 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 179.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.755 HD21 ' HA ' ' A' ' 54' ' ' VAL . 93.4 mt -63.7 -41.1 98.17 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.703 174.742 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.603 HG21 ' HB3' ' B' ' 8' ' ' MET . 19.4 m -61.2 -50.89 71.27 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.61 -177.29 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 10.3 p -62.78 -43.23 98.6 Favored 'Isoleucine or valine' 0 C--O 1.24 0.587 0 C-N-CA 120.433 -0.507 . . . . 0.0 110.737 179.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -56.6 -52.26 65.52 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.655 179.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.737 ' SD ' ' HB3' ' A' ' 47' ' ' ALA . 24.7 ttp -70.1 -43.02 71.93 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.356 -0.538 . . . . 0.0 110.598 179.711 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.408 ' OD1' HG13 ' B' ' 12' ' ' ILE . 7.0 m120 -64.1 -31.29 72.42 Favored 'General case' 0 CA--C 1.499 -0.988 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -175.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -56.53 -33.11 65.75 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 178.424 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.587 ' O ' ' N ' ' A' ' 92' ' ' ASN . 39.3 t80 -58.77 -45.68 89.22 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 179.246 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -55.07 -44.96 75.29 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 119.582 -0.847 . . . . 0.0 110.526 -172.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.424 ' CD1' ' CE1' ' B' ' 16' ' ' HIS . 83.9 m95 -69.65 -46.62 65.72 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-O 121.167 0.508 . . . . 0.0 110.476 179.031 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -68.63 -24.98 64.62 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.465 -0.788 . . . . 0.0 110.653 179.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.587 ' N ' ' O ' ' A' ' 88' ' ' PHE . 51.8 t30 -47.12 122.82 4.77 Favored 'General case' 0 CA--C 1.501 -0.917 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.061 -175.649 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 52.2 m . . . . . 0 C--O 1.201 -1.449 0 CA-C-O 118.316 -0.849 . . . . 0.0 109.942 -174.575 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.748 0 N-CA-C 110.649 -0.981 . . . . 0.0 110.649 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 5.9 m -72.47 157.8 36.94 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.662 0.231 . . . . 0.0 110.683 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.504 ' O ' ' N ' ' B' ' 7' ' ' ALA . 67.8 mt-10 -56.92 -30.22 63.78 Favored 'General case' 0 CA--C 1.511 -0.531 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 177.106 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.667 HD12 HD23 ' A' ' 11' ' ' LEU . 3.5 mm? -61.97 -42.24 98.9 Favored 'General case' 0 CA--C 1.51 -0.591 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 175.723 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.426 ' CD ' ' H ' ' A' ' 43' ' ' GLY . 35.8 mt-10 -62.55 -42.55 99.6 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 177.255 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 9.6 m -61.65 -44.72 96.45 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.695 173.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.566 ' HB1' ' HB1' ' A' ' 7' ' ' ALA . . . -58.26 -45.41 87.88 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 178.477 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . 0.603 ' HB3' HG21 ' A' ' 82' ' ' THR . 94.0 mmm -63.2 -41.56 99.19 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.393 177.577 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -64.14 -37.68 88.34 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 120.12 -0.632 . . . . 0.0 110.604 175.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 9.7 m -57.53 -43.42 84.34 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 178.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.829 HD23 ' CD1' ' A' ' 4' ' ' LEU . 73.0 mt -62.42 -42.7 99.64 Favored 'General case' 0 C--O 1.24 0.569 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.047 174.566 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.518 HD13 ' CD1' ' B' ' 71' ' ' PHE . 17.0 mm -62.83 -44.76 99.77 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.554 0 CA-C-N 116.132 -0.486 . . . . 0.0 109.766 -178.8 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 64.0 m-80 -61.54 -43.1 99.48 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.687 -176.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.51 HG21 HD21 ' A' ' 4' ' ' LEU . 90.2 t -63.93 -46.3 94.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.921 174.701 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -58.1 -48.15 81.07 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.742 -178.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.545 ' CE1' ' HB3' ' B' ' 26' ' ' TYR . 21.9 m-70 -66.26 -39.55 89.53 Favored 'General case' 0 CA--C 1.512 -0.505 0 C-N-CA 120.695 -0.402 . . . . 0.0 111.428 178.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.61 -50.94 66.86 Favored 'General case' 0 CA--C 1.518 -0.263 0 C-N-CA 120.557 -0.457 . . . . 0.0 109.826 178.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.449 ' ND1' ' OE1' ' B' ' 32' ' ' GLU . 93.3 m-70 -67.29 -40.06 86.04 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.872 177.649 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 32.2 m -57.75 -45.41 85.93 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 121.162 0.505 . . . . 0.0 109.918 -179.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.4 -40.92 99.31 Favored Glycine 0 N--CA 1.447 -0.591 0 N-CA-C 110.381 -1.088 . . . . 0.0 110.381 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -64.31 -44.19 92.34 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 121.075 -0.25 . . . . 0.0 111.495 -178.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.461 ' HG2' ' HD2' ' B' ' 31' ' ' LYS . 95.8 mt-10 -68.4 -38.19 81.06 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.018 -0.673 . . . . 0.0 111.113 179.697 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 136.94 -20.66 3.4 Favored Glycine 0 N--CA 1.47 0.917 0 C-N-CA 120.489 -0.862 . . . . 0.0 113.494 173.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -75.88 153.19 36.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 117.417 0.609 . . . . 0.0 111.516 -178.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.545 ' HB3' ' CE2' ' B' ' 26' ' ' TYR . 29.7 mtmt -62.48 -44.96 95.12 Favored 'General case' 0 CA--C 1.49 -1.343 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 176.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.545 ' HB3' ' CE1' ' B' ' 16' ' ' HIS . 0.1 OUTLIER -161.07 90.4 0.83 Allowed 'General case' 0 N--CA 1.422 -1.852 0 CA-C-N 114.855 -1.066 . . . . 0.0 109.395 173.735 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.433 ' HG2' ' O ' ' B' ' 26' ' ' TYR . 26.0 mmmt -162.58 154.94 19.01 Favored 'General case' 0 C--N 1.31 -1.135 0 N-CA-C 106.093 -1.817 . . . . 0.0 106.093 172.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.638 HD11 ' HB2' ' B' ' 32' ' ' GLU . 42.1 tp -124.65 132.39 53.41 Favored 'General case' 0 C--N 1.3 -1.575 0 C-N-CA 120.281 -0.567 . . . . 0.0 110.266 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.599 ' HB2' ' HG3' ' B' ' 31' ' ' LYS . 0.0 OUTLIER -96.62 178.91 5.17 Favored 'General case' 0 C--N 1.308 -1.21 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 175.285 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.571 ' NZ ' ' O ' ' B' ' 61' ' ' LEU . 4.2 mmmm -78.51 -3.61 44.45 Favored 'General case' 0 C--N 1.309 -1.156 0 C-N-CA 120.098 -0.641 . . . . 0.0 111.493 -177.315 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.599 ' HG3' ' HB2' ' B' ' 29' ' ' SER . 0.1 OUTLIER -64.7 -69.8 0.27 Allowed 'General case' 0 C--O 1.237 0.426 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 177.487 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.638 ' HB2' HD11 ' B' ' 28' ' ' LEU . 76.3 mm-40 -68.67 -38.69 80.6 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.504 179.149 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.549 HD13 ' C ' ' B' ' 33' ' ' LEU . 2.7 tm? -57.75 -46.81 83.98 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 120.585 -0.446 . . . . 0.0 111.591 -171.036 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 9.1 mtmp? -63.62 -42.16 98.21 Favored 'General case' 0 C--N 1.319 -0.746 0 C-N-CA 119.033 -1.067 . . . . 0.0 110.352 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.429 ' O ' ' OG1' ' B' ' 39' ' ' THR . 96.9 mt-10 -68.73 -44.39 73.92 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.1 177.424 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.702 HD21 ' CE1' ' B' ' 74' ' ' TYR . 1.1 tp -60.52 -50.08 74.99 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.759 -0.655 . . . . 0.0 112.123 179.662 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.668 HD23 HG12 ' B' ' 78' ' ' VAL . 2.9 tm? -62.7 -47.42 83.72 Favored 'General case' 0 C--N 1.313 -1.002 0 C-N-CA 119.785 -0.766 . . . . 0.0 111.283 -175.12 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.648 ' HB2' HD22 ' B' ' 45' ' ' LEU . 10.8 pt20 -66.44 -41.64 88.85 Favored 'General case' 0 C--N 1.314 -0.941 0 C-N-CA 120.111 -0.636 . . . . 0.0 110.635 177.718 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.429 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 73.9 m -63.82 -54.02 41.57 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.933 -0.576 . . . . 0.0 112.484 -177.293 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -70.86 -40.19 72.47 Favored 'General case' 0 CA--C 1.515 -0.397 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -176.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.47 HD22 HD21 ' B' ' 37' ' ' LEU . 10.8 mp -97.31 37.2 1.36 Allowed 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.874 -178.549 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 73.4 m -53.1 -42.32 65.82 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 121.056 -0.258 . . . . 0.0 111.561 -175.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.64 -46.55 67.82 Favored Glycine 0 N--CA 1.463 0.462 0 N-CA-C 110.901 -0.879 . . . . 0.0 110.901 178.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.555 ' CD1' ' SD ' ' B' ' 85' ' ' MET . 11.4 m-85 -62.12 -43.11 99.54 Favored 'General case' 0 CA--C 1.514 -0.422 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 174.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.648 HD22 ' HB2' ' B' ' 38' ' ' GLN . 2.4 tp -59.49 -48.5 81.4 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.122 179.626 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -59.81 -44.72 93.86 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-O 120.936 0.398 . . . . 0.0 110.467 -178.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . 0.456 ' HB3' ' SD ' ' B' ' 85' ' ' MET . . . -67.45 -38.63 84.79 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.727 175.214 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.553 ' HG2' ' SD ' ' B' ' 85' ' ' MET . 0.1 OUTLIER -65.27 -27.16 68.44 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 114.39 1.255 . . . . 0.0 114.39 -174.11 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.491 ' HG3' ' O ' ' B' ' 45' ' ' LEU . 23.5 mtpp -56.91 -42.72 80.45 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 120.337 -0.545 . . . . 0.0 111.046 -170.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -67.72 -21.31 65.3 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.434 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . 0.492 ' O ' ' N ' ' B' ' 53' ' ' ALA . 51.1 t -69.84 -20.38 23.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.413 -174.521 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.527 ' OD1' ' NZ ' ' B' ' 56' ' ' LYS . 41.2 t0 66.76 -51.44 0.46 Allowed 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 121.085 0.469 . . . . 0.0 110.531 -177.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.492 ' N ' ' O ' ' B' ' 51' ' ' VAL . . . -53.62 -24.98 15.71 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.012 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.415 HG13 ' N ' ' B' ' 55' ' ' ASP . 7.6 p -56.24 -43.93 78.0 Favored 'Isoleucine or valine' 0 C--O 1.241 0.612 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 178.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' B' ' 59' ' ' LYS . 32.9 t70 -60.59 -45.28 94.56 Favored 'General case' 0 CA--C 1.503 -0.838 0 CA-C-O 121.471 0.653 . . . . 0.0 109.752 175.51 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . 0.527 ' NZ ' ' OD1' ' B' ' 52' ' ' ASP . 60.8 mttp -66.52 -40.37 89.12 Favored 'General case' 0 C--N 1.307 -1.268 0 CA-C-N 114.625 -1.17 . . . . 0.0 111.774 -178.079 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.554 HG12 HD12 ' B' ' 77' ' ' LEU . 93.0 t -64.21 -46.15 94.25 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.603 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 176.052 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . 0.463 ' O ' ' N ' ' B' ' 62' ' ' ASP . 64.9 ttp -60.06 -36.92 78.39 Favored 'General case' 0 N--CA 1.434 -1.239 0 CA-C-N 114.383 -1.28 . . . . 0.0 108.975 173.507 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' B' ' 55' ' ' ASP . 0.3 OUTLIER -62.3 -41.71 98.75 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.02 179.633 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -60.25 -41.27 92.85 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.463 -0.939 . . . . 0.0 108.463 177.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.572 ' O ' ' HB3' ' B' ' 64' ' ' ASN . 2.7 mm? -63.85 -37.62 88.06 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.058 171.625 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.463 ' N ' ' O ' ' B' ' 58' ' ' MET . 26.1 t70 -61.35 -36.23 79.61 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.302 -179.211 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 76.7 mt-10 -51.85 -44.32 63.6 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 107.26 -1.385 . . . . 0.0 107.26 175.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . 0.599 ' C ' ' H ' ' B' ' 66' ' ' ASP . 0.4 OUTLIER -60.21 -4.58 0.84 Allowed 'General case' 0 N--CA 1.435 -1.207 0 CA-C-N 113.579 -1.646 . . . . 0.0 111.972 -178.259 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.58 8.31 0.03 OUTLIER Glycine 0 CA--C 1.535 1.343 0 N-CA-C 111.663 -0.575 . . . . 0.0 111.663 176.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.599 ' H ' ' C ' ' B' ' 64' ' ' ASN . 14.2 t70 -57.92 -37.46 74.09 Favored 'General case' 0 CA--C 1.51 -0.563 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 176.596 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -159.17 -90.35 0.08 OUTLIER Glycine 0 C--N 1.317 -0.512 0 N-CA-C 110.509 -1.036 . . . . 0.0 110.509 177.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.472 ' O ' ' ND2' ' B' ' 64' ' ' ASN . 1.4 mp0 -121.87 171.58 8.81 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-O 120.663 0.268 . . . . 0.0 110.538 -178.704 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.718 HG23 ' CB ' ' B' ' 73' ' ' GLU . 1.2 p -119.47 128.3 75.86 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.949 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 171.766 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.403 ' O ' ' N ' ' B' ' 74' ' ' TYR . 0.0 OUTLIER -93.52 -176.7 4.17 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.635 -0.426 . . . . 0.0 111.118 -175.324 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.626 ' O ' HG22 ' B' ' 75' ' ' VAL . 59.4 t80 -60.5 -45.4 93.92 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 -178.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -60.17 -42.05 94.15 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.152 178.251 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.718 ' CB ' HG23 ' B' ' 69' ' ' VAL . 57.2 mt-10 -68.33 -41.78 80.27 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-O 121.139 0.495 . . . . 0.0 110.541 174.465 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . 0.702 ' CE1' HD21 ' B' ' 36' ' ' LEU . 30.3 t80 -61.7 -47.98 82.84 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 178.489 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.864 HG21 ' CB ' ' A' ' 79' ' ' ALA . 16.5 m -63.55 -40.13 87.89 Favored 'Isoleucine or valine' 0 C--O 1.238 0.489 0 C-N-CA 119.938 -0.705 . . . . 0.0 112.02 -177.321 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.483 HG12 ' O ' ' B' ' 73' ' ' GLU . 12.1 p -63.85 -35.46 73.3 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 C-N-CA 120.266 -0.574 . . . . 0.0 110.968 -179.091 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.554 HD12 HG12 ' B' ' 57' ' ' VAL . 51.1 tp -61.14 -49.21 78.15 Favored 'General case' 0 CA--C 1.512 -0.485 0 C-N-CA 120.791 -0.363 . . . . 0.0 110.376 178.182 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.668 HG12 HD23 ' B' ' 37' ' ' LEU . 19.3 m -69.43 -42.53 81.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 C-N-CA 120.148 -0.621 . . . . 0.0 110.505 177.031 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.876 ' CB ' HG21 ' A' ' 75' ' ' VAL . . . -64.05 -44.19 93.23 Favored 'General case' 0 CA--C 1.508 -0.644 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.56 -179.612 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . 0.561 ' O ' HG12 ' B' ' 83' ' ' VAL . . . -61.69 -43.2 99.31 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 -179.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 95.9 mt -63.26 -41.61 99.07 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.473 174.234 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.416 ' O ' ' N ' ' B' ' 86' ' ' ASN . 19.9 m -61.23 -47.56 85.5 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.812 177.03 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.561 HG12 ' O ' ' B' ' 80' ' ' ALA . 0.3 OUTLIER -62.45 -42.83 97.16 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.724 0 C-N-CA 120.287 -0.565 . . . . 0.0 110.44 -179.261 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -56.88 -53.47 57.58 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.229 177.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 85' ' ' MET . . . . . 0.555 ' SD ' ' CD1' ' B' ' 44' ' ' PHE . 79.0 mtp -65.06 -39.7 93.66 Favored 'General case' 0 CA--C 1.512 -0.488 0 C-N-CA 120.149 -0.62 . . . . 0.0 111.61 174.595 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.58 ' OD1' ' NE2' ' A' ' 16' ' ' HIS . 28.3 t30 -59.16 -44.64 92.12 Favored 'General case' 0 CA--C 1.501 -0.924 0 C-N-CA 120.462 -0.495 . . . . 0.0 109.938 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . 0.42 ' OD1' ' CZ ' ' A' ' 26' ' ' TYR . 38.2 t30 -64.84 -41.98 95.28 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 174.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.567 ' O ' ' N ' ' B' ' 92' ' ' ASN . 70.5 t80 -60.29 -44.0 95.77 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.759 178.153 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -42.31 -44.46 3.88 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.548 -178.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . 0.452 ' CD1' ' O ' ' B' ' 86' ' ' ASN . 29.1 m95 -69.94 -42.29 73.44 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-O 120.988 0.423 . . . . 0.0 111.2 176.304 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -67.14 -37.39 83.74 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.652 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . 0.567 ' N ' ' O ' ' B' ' 88' ' ' PHE . 60.1 t30 -48.65 101.05 0.03 OUTLIER 'General case' 0 C--O 1.243 0.728 0 CA-C-N 114.98 -1.009 . . . . 0.0 110.551 -175.032 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 25.5 m . . . . . 0 C--O 1.207 -1.156 0 CA-C-O 118.481 -0.771 . . . . 0.0 110.264 -176.396 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.447 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 m -69.95 167.57 17.2 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-O 120.97 0.414 . . . . 0.0 111.002 178.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.443 ' H ' ' CD ' ' A' ' 3' ' ' GLU . 1.9 mp0 -55.51 -40.45 71.8 Favored 'General case' 0 CA--C 1.505 -0.769 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 176.361 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.86 HD21 HG21 ' B' ' 14' ' ' VAL . 4.0 mm? -61.71 -45.37 94.27 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.081 -0.963 . . . . 0.0 108.744 -178.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -65.81 -45.46 82.25 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.791 179.191 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 18.6 m -63.25 -45.87 89.52 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.368 176.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.47 -49.2 75.33 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 178.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.572 ' HE1' ' HB2' ' B' ' 79' ' ' ALA . 95.8 mmm -64.59 -41.33 96.33 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.528 177.514 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -64.47 -38.96 92.85 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 120.321 -0.552 . . . . 0.0 110.255 179.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 11.6 m -57.22 -43.54 82.91 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 178.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.82 HD11 ' SD ' ' B' ' 8' ' ' MET . 85.5 mt -62.82 -40.85 98.66 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.713 175.067 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.433 HD13 ' CD1' ' A' ' 71' ' ' PHE . 17.9 mm -62.25 -43.55 98.1 Favored 'Isoleucine or valine' 0 C--O 1.238 0.461 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 178.401 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -60.86 -44.99 96.29 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 -177.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.798 HG21 HD11 ' B' ' 4' ' ' LEU . 91.7 t -67.41 -43.65 87.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.094 177.032 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -58.37 -47.93 82.26 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.308 -177.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.481 ' NE2' ' OD1' ' B' ' 86' ' ' ASN . 52.3 m-70 -62.18 -35.7 79.64 Favored 'General case' 0 CA--C 1.506 -0.725 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.961 177.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.45 ' HB3' ' O ' ' A' ' 14' ' ' VAL . . . -51.81 -50.72 60.25 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -69.68 -39.64 76.87 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.894 176.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.478 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 26.7 m -52.42 -37.04 55.77 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 119.769 -0.773 . . . . 0.0 110.231 179.057 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -56.65 -25.33 50.72 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 110.69 -0.964 . . . . 0.0 110.69 177.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.7 mmtp -65.12 -41.46 94.83 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.989 0.423 . . . . 0.0 110.301 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.502 ' OE1' ' N ' ' A' ' 29' ' ' SER . 8.3 pt-20 -115.09 -28.19 7.07 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.106 -0.952 . . . . 0.0 112.316 -170.651 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.494 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . 85.92 -121.47 5.7 Favored Glycine 0 CA--C 1.525 0.701 0 C-N-CA 121.341 -0.457 . . . . 0.0 112.523 177.274 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.1 t70 63.58 -68.03 0.09 Allowed 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 -172.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.51 ' NZ ' ' OE2' ' B' ' 91' ' ' GLU . 0.0 OUTLIER -178.99 -87.88 0.0 OUTLIER 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 114.98 -1.009 . . . . 0.0 109.09 172.233 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.443 ' CD1' ' N ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -113.88 94.76 4.98 Favored 'General case' 0 CA--C 1.499 -0.982 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 171.551 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.478 ' O ' ' HA ' ' A' ' 19' ' ' SER . 6.9 mmtp -141.41 155.69 45.87 Favored 'General case' 0 CA--C 1.482 -1.658 0 CA-C-N 115.444 -0.798 . . . . 0.0 112.56 -177.055 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.767 HD21 HD23 ' A' ' 33' ' ' LEU . 41.2 tp -136.96 117.45 13.76 Favored 'General case' 0 N--CA 1.414 -2.238 0 CA-C-N 114.159 -1.382 . . . . 0.0 108.042 173.023 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.514 ' HA ' ' HA ' ' A' ' 68' ' ' GLU . 23.3 m -85.65 158.39 20.09 Favored 'General case' 0 C--N 1.304 -1.384 0 CA-C-O 121.039 0.447 . . . . 0.0 110.574 -177.003 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.53 -5.81 9.04 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.348 -178.517 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.432 ' HG3' ' HB2' ' A' ' 29' ' ' SER . 1.0 OUTLIER -79.22 -57.33 3.78 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 175.698 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -70.71 -37.98 73.59 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.128 -0.942 . . . . 0.0 111.266 178.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.767 HD23 HD21 ' A' ' 28' ' ' LEU . 2.0 tm? -58.99 -45.77 89.8 Favored 'General case' 0 CA--C 1.513 -0.444 0 C-N-CA 120.917 -0.313 . . . . 0.0 111.43 -172.644 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.497 ' HG3' ' N ' ' A' ' 35' ' ' GLU . 65.0 pttt -60.62 -46.08 91.61 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 119.859 -0.736 . . . . 0.0 110.061 -178.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.497 ' N ' ' HG3' ' A' ' 34' ' ' LYS . 99.1 mt-10 -66.32 -44.83 82.28 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.611 177.232 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.615 HD21 ' CE1' ' A' ' 74' ' ' TYR . 3.3 tp -60.67 -49.56 77.01 Favored 'General case' 0 C--N 1.309 -1.181 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.748 -179.164 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.582 HD23 HG12 ' A' ' 78' ' ' VAL . 3.0 tm? -63.69 -47.26 81.9 Favored 'General case' 0 C--N 1.315 -0.896 0 C-N-CA 119.902 -0.719 . . . . 0.0 111.372 -176.423 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.708 ' HA ' HD22 ' A' ' 45' ' ' LEU . 5.5 pt20 -66.6 -42.16 87.34 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.186 0.517 . . . . 0.0 110.726 178.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.435 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 77.0 m -63.16 -50.41 70.48 Favored 'General case' 0 N--CA 1.438 -1.035 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.485 -177.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.444 ' HG2' HD12 ' A' ' 36' ' ' LEU . 75.4 mm-40 -75.48 -42.31 53.35 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -175.572 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.553 HD22 HD21 ' A' ' 37' ' ' LEU . 10.8 mp -95.59 39.32 1.13 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.906 0.384 . . . . 0.0 110.773 -177.472 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 36.6 p -54.38 -43.52 71.46 Favored 'General case' 0 C--N 1.312 -1.065 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.281 -175.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -66.93 -44.61 88.47 Favored Glycine 0 C--O 1.236 0.275 0 N-CA-C 111.524 -0.63 . . . . 0.0 111.524 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.454 ' O ' ' HG2' ' A' ' 48' ' ' GLN . 33.3 m-85 -71.14 -38.55 72.24 Favored 'General case' 0 CA--C 1.501 -0.919 0 CA-C-O 121.387 0.613 . . . . 0.0 109.595 178.194 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.708 HD22 ' HA ' ' A' ' 38' ' ' GLN . 45.0 tp -60.42 -44.61 95.57 Favored 'General case' 0 N--CA 1.436 -1.17 0 CA-C-N 115.053 -0.976 . . . . 0.0 111.256 -179.063 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.458 ' HA ' ' HE2' ' A' ' 49' ' ' LYS . 33.9 t70 -55.21 -45.59 75.92 Favored 'General case' 0 C--N 1.318 -0.772 0 C-N-CA 120.165 -0.614 . . . . 0.0 110.415 -177.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.39 -40.24 81.44 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.377 176.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.682 ' HG3' HD22 ' A' ' 81' ' ' LEU . 62.5 mm-40 -63.52 -19.77 65.05 Favored 'General case' 0 CA--C 1.514 -0.43 0 N-CA-C 112.994 0.738 . . . . 0.0 112.994 -177.472 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.458 ' HE2' ' HA ' ' A' ' 46' ' ' ASP . 36.1 mtmt -57.8 -35.61 71.07 Favored 'General case' 0 C--N 1.312 -1.065 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 178.13 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -94.57 13.04 25.39 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.448 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.533 HG21 ' NE2' ' A' ' 48' ' ' GLN . 72.5 t -117.51 131.91 68.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.997 0.427 . . . . 0.0 110.67 -178.253 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -65.23 -38.94 91.96 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.661 178.504 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.799 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -48.94 -45.29 41.52 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.928 -0.578 . . . . 0.0 112.384 -172.505 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.577 HG23 HD21 ' A' ' 81' ' ' LEU . 7.4 p -59.49 -39.34 78.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 C-N-CA 120.418 -0.513 . . . . 0.0 110.843 -176.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -55.47 -49.17 73.2 Favored 'General case' 0 CA--C 1.508 -0.655 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 178.286 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.457 ' O ' ' HB3' ' A' ' 59' ' ' LYS . 66.6 mttm -65.04 -38.6 91.42 Favored 'General case' 0 C--N 1.309 -1.172 0 CA-C-N 114.414 -1.266 . . . . 0.0 111.543 176.813 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.799 HG23 ' O ' ' A' ' 53' ' ' ALA . 84.7 t -62.1 -44.44 99.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 -179.554 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.468 ' HG3' ' O ' ' A' ' 54' ' ' VAL . 3.9 mtm -59.54 -39.81 85.19 Favored 'General case' 0 CA--C 1.507 -0.686 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 178.216 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.475 ' NZ ' ' OE2' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -62.99 -40.1 96.74 Favored 'General case' 0 C--N 1.308 -1.229 0 CA-C-N 114.085 -1.416 . . . . 0.0 111.19 -179.56 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -66.02 -44.39 84.84 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.221 0.534 . . . . 0.0 110.343 178.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.635 ' HG ' HD13 ' A' ' 77' ' ' LEU . 3.1 mm? -64.21 -38.98 93.0 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.798 176.556 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -59.0 -34.62 72.06 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.233 -0.894 . . . . 0.0 112.322 -172.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.475 ' OE2' ' NZ ' ' A' ' 59' ' ' LYS . 80.1 mm-40 -51.7 -64.74 0.72 Allowed 'General case' 0 CA--C 1.509 -0.623 0 C-N-CA 120.394 -0.523 . . . . 0.0 110.226 -178.188 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.528 ' O ' ' N ' ' A' ' 66' ' ' ASP . 0.1 OUTLIER -65.87 -36.72 84.22 Favored 'General case' 0 CA--C 1.498 -1.026 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.688 177.329 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.1 52.75 0.06 OUTLIER Glycine 0 N--CA 1.446 -0.653 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 -178.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.528 ' N ' ' O ' ' A' ' 64' ' ' ASN . 25.7 t70 -59.71 -40.98 89.76 Favored 'General case' 0 CA--C 1.501 -0.94 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 175.405 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -150.84 -40.0 0.03 OUTLIER Glycine 0 C--N 1.303 -1.252 0 N-CA-C 109.293 -1.523 . . . . 0.0 109.293 175.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.514 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 18.9 mt-10 -115.6 152.48 33.01 Favored 'General case' 0 N--CA 1.439 -1.019 0 CA-C-N 115.328 -0.436 . . . . 0.0 110.547 179.295 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.547 HG12 ' O ' ' A' ' 28' ' ' LEU . 2.5 p -132.73 133.03 59.62 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.397 0 N-CA-C 106.8 -1.556 . . . . 0.0 106.8 174.254 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.11 -177.79 4.58 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 120.005 -0.678 . . . . 0.0 112.316 -172.412 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.527 ' O ' HG22 ' A' ' 75' ' ' VAL . 66.7 t80 -61.03 -44.36 97.51 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.582 -178.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -59.38 -40.76 87.56 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.265 0.555 . . . . 0.0 109.55 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.615 ' O ' HD11 ' A' ' 61' ' ' LEU . 99.3 mt-10 -72.25 -40.74 67.48 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.297 175.746 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.615 ' CE1' HD21 ' A' ' 36' ' ' LEU . 31.8 t80 -60.4 -45.71 92.61 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.995 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.904 HG21 ' CB ' ' B' ' 79' ' ' ALA . 19.7 m -63.8 -43.02 97.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 C-N-CA 120.752 -0.379 . . . . 0.0 111.963 -177.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.464 HG22 ' O ' ' A' ' 73' ' ' GLU . 32.0 m -65.99 -36.33 77.23 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.689 0 CA-C-O 120.936 0.398 . . . . 0.0 110.69 179.341 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.732 HD23 HD21 ' A' ' 33' ' ' LEU . 56.6 tp -60.91 -48.43 81.83 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.006 -179.441 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.582 HG12 HD23 ' A' ' 37' ' ' LEU . 11.9 m -72.9 -41.28 60.66 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.907 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.325 176.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.807 ' CB ' HG21 ' B' ' 75' ' ' VAL . . . -62.58 -42.49 99.59 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.016 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.509 ' HB2' ' NE2' ' B' ' 72' ' ' GLN . . . -56.06 -47.65 77.53 Favored 'General case' 0 CA--C 1.514 -0.413 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 179.45 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.682 HD22 ' HG3' ' A' ' 48' ' ' GLN . 92.3 mt -63.17 -41.03 99.16 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.637 176.369 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.514 HG21 ' HB3' ' B' ' 8' ' ' MET . 21.0 m -61.36 -50.59 72.28 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.748 -179.066 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 14.6 p -64.02 -42.98 97.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 C-N-CA 119.823 -0.751 . . . . 0.0 110.355 178.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.08 -52.19 66.27 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.152 177.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 85.5 mmm -66.37 -42.68 87.62 Favored 'General case' 0 CA--C 1.515 -0.381 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 176.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.679 ' CG ' HG21 ' B' ' 12' ' ' ILE . 2.2 t-20 -63.29 -42.32 99.06 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 119.375 -0.93 . . . . 0.0 108.832 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.435 ' CG ' ' HB2' ' A' ' 92' ' ' ASN . 41.9 t30 -61.62 -39.54 91.63 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.941 175.078 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.565 ' HA ' ' HB3' ' A' ' 92' ' ' ASN . 53.5 t80 -60.14 -44.02 95.26 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.206 174.168 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -59.1 -43.26 91.86 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.299 178.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.516 ' NE1' ' OD1' ' A' ' 86' ' ' ASN . 63.1 m95 -85.66 -83.42 0.17 Allowed 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.051 -0.659 . . . . 0.0 112.252 -177.333 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 90.0 mt-10 -109.63 -25.12 10.59 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 115.402 1.63 . . . . 0.0 115.402 -172.056 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.565 ' HB3' ' HA ' ' A' ' 88' ' ' PHE . 42.1 t30 -66.44 100.38 0.65 Allowed 'General case' 0 CA--C 1.505 -0.785 0 C-N-CA 118.357 -1.337 . . . . 0.0 109.754 -175.135 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.4 m . . . . . 0 C--O 1.209 -1.077 0 CA-C-O 118.259 -0.876 . . . . 0.0 109.642 -174.274 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 0.383 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . 0.405 ' HB2' ' O ' ' A' ' 40' ' ' GLU . 16.8 m -77.58 152.54 33.91 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 120.891 0.377 . . . . 0.0 111.109 179.281 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -56.83 -26.88 59.26 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 175.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.798 HD11 HG21 ' A' ' 14' ' ' VAL . 51.5 mt -61.59 -42.01 98.25 Favored 'General case' 0 N--CA 1.441 -0.885 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.774 179.674 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -62.41 -40.94 98.17 Favored 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 178.046 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 7.4 m -63.6 -46.45 85.75 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 174.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.88 -46.59 84.64 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.309 -179.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . 0.82 ' SD ' HD11 ' A' ' 11' ' ' LEU . 94.5 mmm -63.8 -41.64 97.87 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.342 -0.543 . . . . 0.0 110.929 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' B' ' 13' ' ' ASN . 69.0 mt-10 -66.7 -35.63 80.59 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 119.534 -0.867 . . . . 0.0 110.674 174.779 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.453 ' HA ' HD22 ' B' ' 13' ' ' ASN . 12.6 m -57.95 -42.48 85.04 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 175.562 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.637 HD23 ' CD1' ' A' ' 4' ' ' LEU . 99.3 mt -62.37 -42.29 99.29 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 175.601 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.795 HG22 ' CD2' ' B' ' 16' ' ' HIS . 19.7 mm -63.22 -43.27 98.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 177.532 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' B' ' 9' ' ' GLU . 94.0 m-20 -60.37 -42.84 96.64 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.389 -175.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.86 HG21 HD21 ' A' ' 4' ' ' LEU . 99.6 t -64.33 -44.39 97.24 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.834 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 174.514 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.413 ' CE1' ' HB2' ' B' ' 28' ' ' LEU . 60.2 t80 -59.37 -47.85 83.85 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.982 -179.043 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.795 ' CD2' HG22 ' B' ' 12' ' ' ILE . 80.0 m-70 -59.22 -42.5 91.17 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.344 177.589 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.54 -48.53 71.89 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.701 -176.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.643 ' CD2' HD22 ' B' ' 36' ' ' LEU . 96.6 m-70 -68.6 -40.06 80.6 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.564 176.576 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 31.5 m -54.35 -34.14 60.5 Favored 'General case' 0 C--O 1.24 0.582 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 173.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.16 -33.22 78.9 Favored Glycine 0 CA--C 1.519 0.294 0 CA-C-N 115.08 -0.964 . . . . 0.0 110.725 175.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.43 ' HB2' ' O ' ' B' ' 18' ' ' HIS . 21.6 mmtp -63.39 -44.85 93.52 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.833 0.349 . . . . 0.0 110.344 -177.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.425 ' HG3' ' H ' ' B' ' 24' ' ' ASP . 16.5 pt-20 -87.19 -39.33 15.58 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.705 -0.68 . . . . 0.0 112.058 -175.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 139.44 -24.15 2.8 Favored Glycine 0 CA--C 1.523 0.537 0 C-N-CA 120.498 -0.858 . . . . 0.0 112.714 177.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.425 ' H ' ' HG3' ' B' ' 22' ' ' GLU . 7.4 t70 -71.39 152.94 42.68 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 117.253 0.526 . . . . 0.0 111.085 -178.208 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.606 ' H ' ' HD3' ' B' ' 25' ' ' LYS . 0.0 OUTLIER -67.59 -41.1 84.63 Favored 'General case' 0 C--O 1.245 0.858 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 174.58 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.571 ' HB3' ' CE1' ' B' ' 16' ' ' HIS . 1.6 p90 -153.92 93.08 1.61 Allowed 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.325 174.093 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 3.8 mmmm -156.94 155.46 31.39 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 106.416 -1.698 . . . . 0.0 106.416 166.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.562 HD21 HD23 ' B' ' 33' ' ' LEU . 51.2 tp -125.22 123.77 40.27 Favored 'General case' 0 C--N 1.298 -1.633 0 C-N-CA 119.412 -0.915 . . . . 0.0 110.937 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 7.5 p -88.96 167.48 13.16 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-O 121.171 0.51 . . . . 0.0 110.656 176.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.551 ' O ' ' NZ ' ' B' ' 34' ' ' LYS . 0.0 OUTLIER -72.61 -5.29 36.27 Favored 'General case' 0 C--N 1.311 -1.085 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 176.087 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 62.9 mttm -61.85 -42.07 98.59 Favored 'General case' 0 CA--C 1.505 -0.781 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.507 ' HB3' ' ND1' ' B' ' 18' ' ' HIS . 56.2 mm-40 -109.76 -35.19 6.25 Favored 'General case' 0 N--CA 1.437 -1.082 0 CA-C-N 114.141 -1.39 . . . . 0.0 111.255 -173.695 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.698 HD13 ' C ' ' B' ' 33' ' ' LEU . 2.5 tm? -57.1 -48.64 78.13 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 120.449 -0.5 . . . . 0.0 111.977 -168.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.551 ' NZ ' ' O ' ' B' ' 30' ' ' LYS . 25.3 pttm -64.61 -39.06 93.04 Favored 'General case' 0 C--N 1.314 -0.969 0 C-N-CA 119.67 -0.812 . . . . 0.0 110.837 179.492 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.457 ' O ' ' HG2' ' B' ' 38' ' ' GLN . 60.6 mm-40 -69.27 -49.92 51.65 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 109.098 -0.705 . . . . 0.0 109.098 179.423 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.643 HD22 ' CD2' ' B' ' 18' ' ' HIS . 0.1 OUTLIER -63.58 -46.29 86.53 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-N 115.714 -0.675 . . . . 0.0 112.185 178.273 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.667 HD23 HG12 ' B' ' 78' ' ' VAL . 2.8 tm? -62.15 -46.8 87.39 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 120.682 -0.407 . . . . 0.0 111.004 -175.248 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.457 ' HG2' ' O ' ' B' ' 35' ' ' GLU . 8.6 pt20 -66.22 -41.56 89.93 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 119.857 -0.737 . . . . 0.0 110.134 176.737 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 91.6 m -65.11 -54.25 32.8 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.791 -0.64 . . . . 0.0 112.523 -177.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.457 ' HB3' ' HB2' ' A' ' 4' ' ' LEU . 77.2 mm-40 -70.56 -37.83 74.06 Favored 'General case' 0 CA--C 1.511 -0.553 0 C-N-CA 119.985 -0.686 . . . . 0.0 112.26 -175.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.437 HD22 HD21 ' B' ' 37' ' ' LEU . 10.3 mp -95.1 34.57 1.37 Allowed 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.454 179.218 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 75.7 m -53.51 -43.38 68.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.611 -177.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -64.53 -47.02 88.43 Favored Glycine 0 C--N 1.321 -0.301 0 N-CA-C 110.769 -0.932 . . . . 0.0 110.769 178.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.556 ' HA ' ' SD ' ' B' ' 85' ' ' MET . 74.2 m-85 -64.58 -42.62 95.49 Favored 'General case' 0 CA--C 1.509 -0.618 0 CA-C-O 121.077 0.465 . . . . 0.0 110.058 177.627 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.606 ' O ' HD12 ' B' ' 45' ' ' LEU . 2.3 tp -61.07 -46.87 88.92 Favored 'General case' 0 N--CA 1.44 -0.933 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.557 177.192 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -63.81 -40.75 97.39 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-O 120.949 0.404 . . . . 0.0 110.685 176.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . 0.531 ' CB ' ' SD ' ' B' ' 85' ' ' MET . . . -66.87 -36.21 81.8 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.073 179.28 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.478 ' NE2' HG21 ' B' ' 51' ' ' VAL . 41.2 mm-40 -110.65 11.85 22.73 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.863 -174.044 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' B' ' 45' ' ' LEU . 0.0 OUTLIER -59.58 -45.03 93.06 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.333 0.587 . . . . 0.0 110.069 -177.545 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -94.34 20.77 7.79 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 115.057 -0.974 . . . . 0.0 110.404 -177.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . 0.622 ' O ' HG12 ' B' ' 54' ' ' VAL . 64.8 t -112.57 133.5 58.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.015 -177.083 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -59.16 -34.77 72.48 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.621 -175.357 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.486 ' H ' HG12 ' B' ' 51' ' ' VAL . . . -53.96 -35.44 61.79 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.885 -176.248 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.622 HG12 ' O ' ' B' ' 51' ' ' VAL . 7.7 p -58.47 -42.15 83.58 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 C-N-CA 119.815 -0.754 . . . . 0.0 109.871 -177.118 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.498 ' O ' ' N ' ' B' ' 59' ' ' LYS . 31.6 t70 -59.87 -50.15 74.91 Favored 'General case' 0 CA--C 1.506 -0.717 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.025 175.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 36.6 mttm -62.84 -43.41 98.88 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-N 115.169 -0.923 . . . . 0.0 111.221 -176.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.878 HG12 HD12 ' B' ' 77' ' ' LEU . 78.0 t -67.96 -46.25 82.23 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 CA-C-O 121.934 0.873 . . . . 0.0 109.355 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 67.3 ttp -67.26 -41.15 86.02 Favored 'General case' 0 C--N 1.305 -1.327 0 CA-C-N 114.64 -1.164 . . . . 0.0 111.878 178.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' B' ' 55' ' ' ASP . 24.1 tptp -54.25 -59.03 5.21 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.587 0.588 . . . . 0.0 112.587 -171.156 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -67.25 -40.25 86.24 Favored 'General case' 0 CA--C 1.515 -0.399 0 C-N-CA 119.625 -0.83 . . . . 0.0 111.6 -178.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.558 ' HG ' HD13 ' B' ' 77' ' ' LEU . 4.0 mm? -62.35 -42.2 99.2 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.36 -0.536 . . . . 0.0 110.315 178.63 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.405 ' HA ' ' CE ' ' B' ' 30' ' ' LYS . 28.6 t70 -63.11 -44.69 94.95 Favored 'General case' 0 N--CA 1.446 -0.639 0 C-N-CA 119.794 -0.762 . . . . 0.0 110.75 177.431 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -66.28 -42.11 88.89 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.179 0.514 . . . . 0.0 109.979 177.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . 0.497 ' C ' ' H ' ' B' ' 66' ' ' ASP . 89.5 m-20 -61.68 -40.86 96.45 Favored 'General case' 0 CA--C 1.502 -0.901 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.358 178.667 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -71.04 46.31 0.76 Allowed Glycine 0 N--CA 1.447 -0.61 0 N-CA-C 109.569 -1.412 . . . . 0.0 109.569 176.364 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.497 ' H ' ' C ' ' B' ' 64' ' ' ASN . 42.4 t0 -61.97 -35.0 77.17 Favored 'General case' 0 CA--C 1.502 -0.866 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -127.68 -53.44 0.13 Allowed Glycine 0 C--N 1.313 -0.719 0 N-CA-C 109.879 -1.288 . . . . 0.0 109.879 177.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -138.72 157.94 45.16 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 122.61 0.364 . . . . 0.0 110.402 -179.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.485 HG12 ' O ' ' B' ' 28' ' ' LEU . 2.4 p -121.49 125.89 74.14 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.999 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 169.484 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.555 ' CG ' ' N ' ' B' ' 71' ' ' PHE . 0.6 OUTLIER -93.21 174.37 7.25 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 122.174 -0.329 . . . . 0.0 111.646 -173.742 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.626 ' CD1' HD13 ' B' ' 12' ' ' ILE . 72.3 t80 -59.42 -46.14 89.57 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 120.727 0.299 . . . . 0.0 110.872 -175.187 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.509 ' NE2' ' HB2' ' A' ' 80' ' ' ALA . 7.5 mm100 -58.89 -39.29 80.99 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.337 0.589 . . . . 0.0 110.172 178.586 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -70.1 -41.79 73.55 Favored 'General case' 0 C--N 1.307 -1.242 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.749 176.123 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 28.3 t80 -61.46 -48.38 81.4 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.571 -0.74 . . . . 0.0 112.181 179.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.807 HG21 ' CB ' ' A' ' 79' ' ' ALA . 13.8 m -63.4 -42.75 97.42 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 C-N-CA 120.337 -0.545 . . . . 0.0 112.438 -177.781 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 11.8 p -64.57 -37.39 79.94 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.717 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.878 HD12 HG12 ' B' ' 57' ' ' VAL . 66.7 tp -61.14 -47.74 84.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.669 -179.026 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.667 HG12 HD23 ' B' ' 37' ' ' LEU . 19.7 m -70.54 -42.15 78.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 C-N-CA 120.254 -0.578 . . . . 0.0 110.91 176.15 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.904 ' CB ' HG21 ' A' ' 75' ' ' VAL . . . -60.88 -46.01 92.28 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.691 -178.277 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . 0.461 ' O ' HG12 ' B' ' 83' ' ' VAL . . . -61.97 -39.78 93.32 Favored 'General case' 0 N--CA 1.445 -0.721 0 C-N-CA 120.173 -0.611 . . . . 0.0 109.741 -179.472 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.652 ' HG ' HG11 ' B' ' 57' ' ' VAL . 97.9 mt -63.32 -41.51 98.92 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 172.233 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.47 ' HA ' ' CE1' ' B' ' 44' ' ' PHE . 17.7 m -62.11 -50.32 72.36 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.351 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.461 HG12 ' O ' ' B' ' 80' ' ' ALA . 1.4 p -63.48 -41.17 91.73 Favored 'Isoleucine or valine' 0 C--O 1.238 0.464 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.208 179.012 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -56.66 -50.93 70.62 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.333 178.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 85' ' ' MET . . . . . 0.556 ' SD ' ' HA ' ' B' ' 44' ' ' PHE . 34.6 ttp -66.37 -40.1 89.54 Favored 'General case' 0 CA--C 1.51 -0.587 0 C-N-CA 120.029 -0.668 . . . . 0.0 109.452 177.563 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.509 ' CG ' ' HE1' ' B' ' 90' ' ' TRP . 2.3 t-20 -62.0 -40.07 94.39 Favored 'General case' 0 N--CA 1.446 -0.651 0 C-N-CA 120.285 -0.566 . . . . 0.0 110.063 -177.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . 0.436 ' ND2' ' OH ' ' A' ' 26' ' ' TYR . 5.6 t-20 -59.77 -42.77 94.04 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 174.549 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.463 ' HA ' ' HB3' ' B' ' 92' ' ' ASN . 9.5 t80 -60.12 -44.59 94.76 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.763 172.044 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . 0.443 ' HB2' ' HA ' ' B' ' 86' ' ' ASN . 3.8 t80 -54.01 -47.8 71.11 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 115.241 -0.891 . . . . 0.0 111.093 -170.162 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . 0.509 ' HE1' ' CG ' ' B' ' 86' ' ' ASN . 35.2 m95 -90.26 -72.38 0.57 Allowed 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 112.759 0.651 . . . . 0.0 112.759 -171.533 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . 0.51 ' OE2' ' NZ ' ' A' ' 25' ' ' LYS . 0.6 OUTLIER -107.17 -40.23 5.48 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 -171.805 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . 0.463 ' HB3' ' HA ' ' B' ' 88' ' ' PHE . 63.6 t-20 -67.2 111.54 4.0 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.181 0.515 . . . . 0.0 111.724 -171.1 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 2.2 m . . . . . 0 C--O 1.211 -0.933 0 CA-C-O 118.319 -0.848 . . . . 0.0 110.695 -179.844 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.734 0 N-CA-C 111.254 -0.739 . . . . 0.0 111.254 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 m -71.36 164.58 25.48 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 178.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.472 ' HB3' HG21 ' B' ' 10' ' ' THR . 56.4 mp0 -57.94 -43.39 86.33 Favored 'General case' 0 CA--C 1.514 -0.435 0 C-N-CA 120.526 -0.47 . . . . 0.0 110.068 -177.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.667 HD21 HG21 ' B' ' 14' ' ' VAL . 2.0 mm? -63.19 -43.12 99.07 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 178.744 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 64.4 mt-10 -64.45 -45.59 86.79 Favored 'General case' 0 C--N 1.311 -1.065 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 178.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 10' ' ' THR . 10.8 m -60.95 -44.44 97.28 Favored 'General case' 0 N--CA 1.44 -0.951 0 CA-C-N 115.134 -0.939 . . . . 0.0 109.271 175.329 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 3' ' ' GLU . . . -55.86 -48.91 74.7 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 176.642 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.511 ' SD ' HD11 ' B' ' 11' ' ' LEU . 96.2 mmm -64.54 -41.18 96.5 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.302 -0.559 . . . . 0.0 110.266 178.083 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.01 -38.77 89.87 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 176.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.466 HG22 HD13 ' B' ' 4' ' ' LEU . 10.7 m -59.77 -44.4 93.9 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 108.018 -1.105 . . . . 0.0 108.018 177.707 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.782 HD11 ' SD ' ' B' ' 8' ' ' MET . 94.5 mt -63.0 -40.9 99.16 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.745 175.069 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.546 HD13 ' CD1' ' A' ' 71' ' ' PHE . 26.5 mm -62.37 -44.4 99.17 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.67 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 177.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -60.4 -43.21 96.91 Favored 'General case' 0 CA--C 1.5 -0.957 0 C-N-CA 120.383 -0.527 . . . . 0.0 110.306 -178.067 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.986 HG21 HD21 ' B' ' 4' ' ' LEU . 94.2 t -66.54 -48.09 81.57 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.084 0 C-N-CA 120.492 -0.483 . . . . 0.0 110.028 176.661 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.521 ' CE2' ' HB2' ' A' ' 28' ' ' LEU . 61.8 t80 -59.21 -48.32 82.06 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.521 0.677 . . . . 0.0 109.38 177.005 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.472 ' N ' ' O ' ' A' ' 12' ' ' ILE . 0.9 OUTLIER -59.39 -46.6 88.21 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 114.897 -1.047 . . . . 0.0 109.836 -179.891 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.81 -47.85 81.63 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.707 179.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -66.49 -35.36 80.06 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.655 -0.418 . . . . 0.0 111.906 -179.3 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.423 ' OG ' ' O ' ' A' ' 27' ' ' LYS . 69.8 m -56.1 -41.22 74.89 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 170.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.1 -39.04 96.81 Favored Glycine 0 C--O 1.24 0.503 0 N-CA-C 110.629 -0.989 . . . . 0.0 110.629 174.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -62.53 -46.49 88.17 Favored 'General case' 0 CA--C 1.519 -0.241 0 N-CA-C 109.697 -0.482 . . . . 0.0 109.697 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.601 ' CD ' ' H ' ' A' ' 29' ' ' SER . 98.9 mt-10 -70.42 -38.4 74.59 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 176.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 122.64 -14.97 8.57 Favored Glycine 0 N--CA 1.462 0.389 0 CA-C-N 115.955 -0.566 . . . . 0.0 112.056 176.115 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -70.15 141.98 52.58 Favored 'General case' 0 CA--C 1.51 -0.584 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.191 178.36 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.431 ' HG3' ' CE1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -61.23 -41.14 96.36 Favored 'General case' 0 N--CA 1.445 -0.714 0 C-N-CA 120.691 -0.403 . . . . 0.0 110.048 179.308 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.477 ' HB3' ' CZ3' ' B' ' 90' ' ' TRP . 0.1 OUTLIER -154.89 93.6 1.57 Allowed 'General case' 0 C--O 1.239 0.545 0 CA-C-O 121.125 0.488 . . . . 0.0 111.4 170.063 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.436 ' HG2' ' O ' ' A' ' 26' ' ' TYR . 23.7 mmtm -163.51 158.94 21.45 Favored 'General case' 0 CA--C 1.503 -0.842 0 CA-C-N 114.362 -1.29 . . . . 0.0 109.559 173.339 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.553 HD21 HD23 ' A' ' 33' ' ' LEU . 41.9 tp -124.79 127.11 46.69 Favored 'General case' 0 C--N 1.308 -1.21 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 169.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.601 ' H ' ' CD ' ' A' ' 22' ' ' GLU . 2.0 m -100.39 -179.71 4.19 Favored 'General case' 0 C--N 1.309 -1.173 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 -179.76 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.564 ' NZ ' ' O ' ' A' ' 61' ' ' LEU . 10.0 mmmm -74.13 -4.77 37.75 Favored 'General case' 0 C--N 1.314 -0.955 0 O-C-N 121.959 -0.463 . . . . 0.0 111.924 -177.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.499 ' HG3' ' HB2' ' A' ' 29' ' ' SER . 0.2 OUTLIER -77.97 -73.87 0.29 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.072 0.463 . . . . 0.0 110.389 -178.166 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.466 ' O ' ' HB3' ' A' ' 36' ' ' LEU . 68.7 mm-40 -62.18 -32.6 73.25 Favored 'General case' 0 CA--C 1.508 -0.646 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.958 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.772 HD21 HD23 ' A' ' 77' ' ' LEU . 2.2 tm? -57.95 -43.71 86.54 Favored 'General case' 0 C--N 1.319 -0.759 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.305 -175.28 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.401 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 5.3 mtmp? -64.34 -47.85 77.79 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 119.698 -0.801 . . . . 0.0 109.624 177.038 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.1 mm-40 -73.06 -46.6 50.74 Favored 'General case' 0 CA--C 1.505 -0.776 0 CA-C-N 114.935 -1.029 . . . . 0.0 111.316 -171.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.583 HD13 ' CG1' ' A' ' 14' ' ' VAL . 0.1 OUTLIER -62.48 -43.46 98.77 Favored 'General case' 0 C--N 1.309 -1.162 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.292 179.681 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.799 HD23 HG12 ' A' ' 78' ' ' VAL . 2.8 tm? -62.07 -47.34 85.12 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.129 -0.628 . . . . 0.0 110.603 -178.693 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.587 ' HA ' HD22 ' A' ' 45' ' ' LEU . 14.5 pt20 -66.87 -41.04 87.95 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 119.927 -0.709 . . . . 0.0 110.443 176.497 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 91.0 m -63.61 -51.63 64.45 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.656 -177.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.871 ' HB3' HD23 ' B' ' 4' ' ' LEU . 55.2 mm-40 -79.61 -39.96 30.4 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 113.488 0.921 . . . . 0.0 113.488 -172.431 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.765 HD22 HD21 ' A' ' 37' ' ' LEU . 11.0 mp -87.2 44.5 1.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.163 0.506 . . . . 0.0 109.999 179.224 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -54.61 -42.31 71.03 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.944 -174.414 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.418 ' N ' ' OE2' ' B' ' 5' ' ' GLU . . . -71.6 -46.5 39.2 Favored Glycine 0 C--O 1.242 0.655 0 N-CA-C 111.56 -0.616 . . . . 0.0 111.56 179.493 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.493 ' O ' ' HG3' ' A' ' 48' ' ' GLN . 40.1 m-85 -68.26 -39.44 82.22 Favored 'General case' 0 CA--C 1.493 -1.233 0 CA-C-O 120.631 0.253 . . . . 0.0 110.617 178.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.587 HD22 ' HA ' ' A' ' 38' ' ' GLN . 43.6 tp -59.19 -45.9 89.84 Favored 'General case' 0 N--CA 1.437 -1.11 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.685 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.58 ' O ' ' NZ ' ' A' ' 49' ' ' LYS . 17.5 t70 -59.85 -44.68 93.99 Favored 'General case' 0 C--N 1.313 -0.981 0 C-N-CA 119.962 -0.695 . . . . 0.0 111.34 178.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.702 ' HB3' ' SD ' ' A' ' 85' ' ' MET . . . -66.3 -41.14 90.16 Favored 'General case' 0 C--N 1.314 -0.971 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 -178.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.788 HE22 HG21 ' A' ' 54' ' ' VAL . 0.0 OUTLIER -77.81 -3.22 40.33 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 -175.388 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.58 ' NZ ' ' O ' ' A' ' 46' ' ' ASP . 23.8 mtmm -59.82 -39.48 85.2 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.15 -0.62 . . . . 0.0 110.246 -174.651 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -102.58 21.76 14.74 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -177.199 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.57 ' O ' ' N ' ' A' ' 53' ' ' ALA . 9.7 t -110.84 2.33 8.96 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 CA-C-O 120.771 0.319 . . . . 0.0 111.795 -177.532 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 55' ' ' ASP . 18.7 t70 58.39 -40.75 0.06 Allowed 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.603 0.761 . . . . 0.0 112.974 -179.461 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.57 ' N ' ' O ' ' A' ' 51' ' ' VAL . . . -45.92 -31.09 1.99 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.925 0.393 . . . . 0.0 110.839 -175.462 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.788 HG21 HE22 ' A' ' 48' ' ' GLN . 7.2 p -58.74 -42.97 86.79 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.902 0 C-N-CA 120.421 -0.512 . . . . 0.0 110.085 177.565 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' A' ' 52' ' ' ASP . 28.2 t70 -57.83 -51.57 69.04 Favored 'General case' 0 CA--C 1.502 -0.89 0 CA-C-O 121.486 0.66 . . . . 0.0 109.725 177.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.42 ' NZ ' ' OD2' ' A' ' 52' ' ' ASP . 43.5 mmtm -66.82 -43.99 82.35 Favored 'General case' 0 C--N 1.309 -1.183 0 CA-C-N 114.771 -1.104 . . . . 0.0 110.611 -176.225 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.63 HG12 HD12 ' A' ' 77' ' ' LEU . 60.0 t -67.14 -44.41 87.93 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.524 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.711 177.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.435 ' CB ' ' O ' ' A' ' 54' ' ' VAL . 44.5 ttp -60.86 -41.26 95.54 Favored 'General case' 0 N--CA 1.432 -1.375 0 CA-C-N 115.34 -0.845 . . . . 0.0 109.886 177.441 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.524 ' O ' ' N ' ' A' ' 63' ' ' GLU . 13.7 tttm -63.73 -37.02 85.8 Favored 'General case' 0 N--CA 1.435 -1.214 0 C-N-CA 120.008 -0.677 . . . . 0.0 112.71 178.138 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.405 ' O ' ' HB2' ' A' ' 63' ' ' GLU . 72.8 mm-40 -53.59 -42.09 67.26 Favored 'General case' 0 C--N 1.312 -1.054 0 C-N-CA 119.438 -0.905 . . . . 0.0 109.276 177.646 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.76 ' HG ' HD22 ' A' ' 77' ' ' LEU . 2.3 mm? -64.47 -38.39 90.86 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.39 172.633 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.496 ' HB3' ' HG3' ' A' ' 59' ' ' LYS . 29.1 t70 -61.78 -39.75 92.78 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.536 174.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.524 ' N ' ' O ' ' A' ' 59' ' ' LYS . 72.0 mm-40 -58.82 -43.57 90.66 Favored 'General case' 0 CA--C 1.507 -0.68 0 N-CA-C 106.851 -1.536 . . . . 0.0 106.851 174.548 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.581 ' C ' ' H ' ' A' ' 66' ' ' ASP . 11.1 t-20 -64.3 -9.76 19.65 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 114.296 -1.32 . . . . 0.0 110.489 176.021 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.445 ' H ' ' C ' ' A' ' 62' ' ' ASP . . . -58.53 1.73 0.26 Allowed Glycine 0 CA--C 1.518 0.273 0 N-CA-C 109.988 -1.245 . . . . 0.0 109.988 172.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.581 ' H ' ' C ' ' A' ' 64' ' ' ASN . 37.7 t70 -58.55 -42.31 87.56 Favored 'General case' 0 CA--C 1.5 -0.969 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 175.193 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -147.42 -90.9 0.1 OUTLIER Glycine 0 N--CA 1.443 -0.841 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.395 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -142.04 166.68 24.04 Favored 'General case' 0 C--O 1.239 0.541 0 C-N-CA 122.542 0.337 . . . . 0.0 111.444 -175.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.713 HG23 ' HB2' ' A' ' 73' ' ' GLU . 1.0 OUTLIER -118.44 130.02 73.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.45 0.643 . . . . 0.0 110.421 179.011 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -97.05 -172.9 2.55 Favored 'General case' 0 CA--C 1.508 -0.665 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.492 -179.119 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.546 ' CD1' HD13 ' A' ' 12' ' ' ILE . 48.8 t80 -60.23 -44.38 95.25 Favored 'General case' 0 C--N 1.307 -1.244 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.541 -179.053 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.494 ' O ' HG22 ' A' ' 75' ' ' VAL . 52.7 mt-30 -59.53 -46.0 90.13 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.086 0.469 . . . . 0.0 110.06 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.713 ' HB2' HG23 ' A' ' 69' ' ' VAL . 97.6 mt-10 -69.25 -37.21 77.84 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.397 0.617 . . . . 0.0 110.305 178.435 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 30.3 t80 -60.65 -48.0 83.75 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.728 175.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.728 HG21 ' CB ' ' B' ' 79' ' ' ALA . 19.4 m -63.24 -41.9 94.47 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 C-N-CA 119.883 -0.727 . . . . 0.0 111.772 -178.333 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.41 HG12 ' O ' ' A' ' 73' ' ' GLU . 12.7 p -64.22 -37.43 79.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 C-N-CA 120.118 -0.633 . . . . 0.0 110.872 -179.101 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.772 HD23 HD21 ' A' ' 33' ' ' LEU . 50.2 tp -61.13 -49.89 75.44 Favored 'General case' 0 CA--C 1.517 -0.312 0 C-N-CA 120.177 -0.609 . . . . 0.0 110.2 179.721 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.799 HG12 HD23 ' A' ' 37' ' ' LEU . 20.6 m -67.41 -42.73 87.62 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.645 0 C-N-CA 119.884 -0.727 . . . . 0.0 110.288 176.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.888 ' CB ' HG21 ' B' ' 75' ' ' VAL . . . -62.64 -43.29 99.18 Favored 'General case' 0 CA--C 1.506 -0.728 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.111 -179.755 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.24 -47.3 84.0 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.557 HD21 ' HA ' ' A' ' 54' ' ' VAL . 89.5 mt -62.98 -42.12 99.75 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.92 175.119 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 18.1 m -61.99 -50.76 70.77 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.499 -179.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.751 HG11 ' HG3' ' B' ' 72' ' ' GLN . 8.1 p -66.28 -37.01 78.76 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.347 0 C-N-CA 120.208 -0.597 . . . . 0.0 110.859 177.706 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -58.56 -52.51 65.36 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.416 178.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.702 ' SD ' ' HB3' ' A' ' 47' ' ' ALA . 18.9 ttp -67.97 -43.67 78.47 Favored 'General case' 0 CA--C 1.51 -0.595 0 C-N-CA 119.672 -0.811 . . . . 0.0 109.504 176.664 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.541 ' O ' ' CD1' ' A' ' 90' ' ' TRP . 85.9 m-20 -64.74 -22.54 67.0 Favored 'General case' 0 CA--C 1.504 -0.821 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.844 -176.036 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.418 ' N ' ' O ' ' A' ' 83' ' ' VAL . 31.1 t-20 -45.82 -42.82 12.76 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 176.074 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.459 ' O ' ' N ' ' A' ' 92' ' ' ASN . 70.5 t80 -62.22 -44.57 96.27 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.564 173.471 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.51 ' N ' ' O ' ' A' ' 86' ' ' ASN . 0.3 OUTLIER -58.99 -48.4 81.71 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 -175.563 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.596 ' CH2' HG23 ' B' ' 12' ' ' ILE . 6.1 m95 -58.19 -46.8 85.16 Favored 'General case' 0 CA--C 1.508 -0.638 0 C-N-CA 118.815 -1.154 . . . . 0.0 108.49 -175.055 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -71.72 -36.59 70.54 Favored 'General case' 0 N--CA 1.44 -0.971 0 CA-C-N 114.817 -1.083 . . . . 0.0 110.726 178.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 88' ' ' PHE . 25.2 t-20 -46.79 117.84 1.82 Allowed 'General case' 0 CA--C 1.502 -0.886 0 CA-C-O 121.247 0.546 . . . . 0.0 111.459 -172.793 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 6.0 m . . . . . 0 C--O 1.201 -1.462 0 CA-C-N 115.021 -0.991 . . . . 0.0 108.383 -178.76 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.239 0.454 0 N-CA-C 110.493 -1.043 . . . . 0.0 110.493 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 71.3 m -82.6 168.89 16.88 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-O 121.448 0.642 . . . . 0.0 112.399 -176.31 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -55.89 -23.96 34.5 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.195 -179.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.986 HD21 HG21 ' A' ' 14' ' ' VAL . 1.2 mm? -60.23 -40.8 91.47 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 -179.437 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.441 ' HG2' ' HD2' ' A' ' 44' ' ' PHE . 94.1 mt-10 -60.4 -45.29 94.13 Favored 'General case' 0 N--CA 1.437 -1.077 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 179.486 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 11.1 m -61.95 -46.03 91.07 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 174.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.419 ' HB1' ' HB1' ' A' ' 7' ' ' ALA . . . -55.91 -50.66 70.08 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.19 178.6 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . 0.782 ' SD ' HD11 ' A' ' 11' ' ' LEU . 95.6 mmm -65.4 -40.85 93.91 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.104 179.412 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 -64.58 -37.61 88.17 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.188 177.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.472 HG21 ' HB3' ' A' ' 3' ' ' GLU . 8.1 m -58.87 -44.44 91.08 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 178.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.608 HD23 HD12 ' A' ' 4' ' ' LEU . 84.0 mt -62.21 -40.96 97.85 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.82 174.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.596 HG23 ' CH2' ' A' ' 90' ' ' TRP . 15.9 mm -62.41 -44.77 99.58 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.177 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 178.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 60.1 m-80 -62.53 -42.84 99.79 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.131 0.491 . . . . 0.0 109.838 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.667 HG21 HD21 ' A' ' 4' ' ' LEU . 45.0 t -63.67 -47.25 92.05 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.188 175.364 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.509 ' CE2' ' HB2' ' B' ' 28' ' ' LEU . 57.4 t80 -58.06 -45.14 87.57 Favored 'General case' 0 C--N 1.313 -1.011 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 178.254 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.433 ' CD2' ' CE3' ' A' ' 90' ' ' TRP . 0.9 OUTLIER -53.26 -48.33 68.37 Favored 'General case' 0 C--O 1.24 0.591 0 CA-C-N 114.824 -1.08 . . . . 0.0 109.93 178.51 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.82 -46.08 86.73 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.969 -178.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.697 ' CD2' HD13 ' B' ' 36' ' ' LEU . 84.7 m-70 -66.69 -38.8 87.5 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 -176.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 73.8 m -54.6 -42.44 71.11 Favored 'General case' 0 C--O 1.243 0.729 0 CA-C-O 121.469 0.652 . . . . 0.0 109.793 177.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.11 -37.43 93.91 Favored Glycine 0 C--N 1.317 -0.524 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.376 179.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 61.9 mttm -63.31 -45.01 93.31 Favored 'General case' 0 C--O 1.242 0.664 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -177.194 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.62 ' HG3' ' CG ' ' B' ' 32' ' ' GLU . 72.2 mt-10 -73.04 -43.4 62.04 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.343 -0.543 . . . . 0.0 109.673 177.187 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 143.9 -25.7 2.08 Favored Glycine 0 CA--C 1.522 0.53 0 C-N-CA 120.997 -0.62 . . . . 0.0 113.145 175.003 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -64.38 142.18 58.51 Favored 'General case' 0 CA--C 1.511 -0.558 0 CA-C-N 117.876 0.838 . . . . 0.0 111.127 -177.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.498 ' HD2' ' CE1' ' B' ' 26' ' ' TYR . 25.8 pttt -60.46 -44.17 96.13 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.32 177.645 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.498 ' CE1' ' HD2' ' B' ' 25' ' ' LYS . 1.2 p90 -156.82 90.72 1.16 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.349 170.073 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.452 ' HA ' ' HD2' ' B' ' 27' ' ' LYS . 25.6 mmmt -166.36 169.09 14.41 Favored 'General case' 0 CA--C 1.505 -0.763 0 C-N-CA 125.436 1.495 . . . . 0.0 107.078 171.11 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.509 ' HB2' ' CE2' ' B' ' 15' ' ' PHE . 37.5 tp -125.0 130.15 51.77 Favored 'General case' 0 C--N 1.31 -1.149 0 C-N-CA 119.904 -0.718 . . . . 0.0 110.481 174.776 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -97.19 -177.33 3.81 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 177.542 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.468 ' N ' ' HD2' ' B' ' 30' ' ' LYS . 0.5 OUTLIER -82.53 -3.4 55.87 Favored 'General case' 0 C--N 1.308 -1.209 0 O-C-N 121.93 -0.481 . . . . 0.0 112.004 -173.554 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.544 ' HD2' ' HG2' ' B' ' 22' ' ' GLU . 15.1 mttm -77.8 -65.77 0.93 Allowed 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 -177.567 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.62 ' CG ' ' HG3' ' B' ' 22' ' ' GLU . 62.4 mm-40 -65.56 -35.4 80.74 Favored 'General case' 0 C--O 1.206 -1.192 0 CA-C-N 115.166 -0.925 . . . . 0.0 112.217 -179.77 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.693 HD21 HD23 ' B' ' 77' ' ' LEU . 2.1 tm? -56.32 -44.96 80.49 Favored 'General case' 0 C--N 1.31 -1.112 0 C-N-CA 120.57 -0.452 . . . . 0.0 111.319 -170.222 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.455 ' NZ ' ' O ' ' B' ' 30' ' ' LYS . 30.8 mttp -63.57 -45.21 91.49 Favored 'General case' 0 C--N 1.318 -0.8 0 C-N-CA 119.335 -0.946 . . . . 0.0 109.027 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.532 ' HG3' ' O ' ' B' ' 31' ' ' LYS . 1.0 OUTLIER -71.13 -39.07 72.23 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.82 -1.082 . . . . 0.0 110.584 -178.843 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.697 HD13 ' CD2' ' B' ' 18' ' ' HIS . 2.0 tp -60.04 -47.15 87.05 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.731 178.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.846 HD21 HD22 ' B' ' 41' ' ' LEU . 2.6 tm? -62.61 -46.45 88.23 Favored 'General case' 0 C--N 1.314 -0.968 0 C-N-CA 120.209 -0.596 . . . . 0.0 111.028 -178.388 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.777 ' HB2' HD22 ' B' ' 45' ' ' LEU . 14.8 pt20 -64.93 -40.09 94.5 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 119.622 -0.831 . . . . 0.0 110.588 176.473 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 77.3 m -62.79 -49.52 74.65 Favored 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 -175.002 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.632 ' HG2' HD12 ' B' ' 36' ' ' LEU . 35.8 mm-40 -83.4 -36.79 24.02 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.449 -0.5 . . . . 0.0 111.833 -174.122 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.846 HD22 HD21 ' B' ' 37' ' ' LEU . 10.6 mp -91.87 45.07 1.2 Allowed 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.498 -178.643 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 15.2 m -52.1 -44.22 64.31 Favored 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 111.83 0.307 . . . . 0.0 111.83 -172.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.81 -45.24 53.35 Favored Glycine 0 CA--C 1.528 0.896 0 N-CA-C 111.277 -0.729 . . . . 0.0 111.277 178.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.512 ' CZ ' HG23 ' B' ' 82' ' ' THR . 29.9 m-85 -64.82 -37.21 86.84 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-O 120.972 0.415 . . . . 0.0 110.039 176.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.777 HD22 ' HB2' ' B' ' 38' ' ' GLN . 2.3 tp -58.26 -46.43 86.01 Favored 'General case' 0 CA--C 1.505 -0.759 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.765 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.466 ' O ' ' NZ ' ' B' ' 49' ' ' LYS . 38.7 t70 -63.88 -42.72 97.43 Favored 'General case' 0 C--N 1.312 -1.063 0 C-N-CA 119.925 -0.71 . . . . 0.0 110.704 178.773 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.41 -41.12 80.87 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.964 -0.562 . . . . 0.0 112.071 -179.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.496 ' HG3' ' O ' ' B' ' 45' ' ' LEU . 0.1 OUTLIER -70.88 -7.01 42.59 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 120.443 -0.503 . . . . 0.0 111.583 -176.631 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.466 ' NZ ' ' O ' ' B' ' 46' ' ' ASP . 22.6 mtmm -59.57 -38.38 81.0 Favored 'General case' 0 CA--C 1.512 -0.485 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 -179.249 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -109.44 36.73 2.83 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.768 -176.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . 0.603 ' O ' HG12 ' B' ' 54' ' ' VAL . 54.3 t -119.51 132.8 68.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 178.459 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.472 ' OD1' ' NZ ' ' B' ' 56' ' ' LYS . 33.4 t70 -62.77 -39.06 93.01 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 112.405 0.52 . . . . 0.0 112.405 -176.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.448 ' O ' HG23 ' B' ' 57' ' ' VAL . . . -61.09 -36.0 78.5 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 113.375 0.879 . . . . 0.0 113.375 -171.499 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.603 HG12 ' O ' ' B' ' 51' ' ' VAL . 7.7 p -53.58 -45.12 59.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 C-N-CA 120.324 -0.55 . . . . 0.0 111.0 -173.134 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -61.56 -39.95 92.95 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.651 -0.499 . . . . 0.0 109.651 178.053 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . 0.472 ' NZ ' ' OD1' ' B' ' 52' ' ' ASP . 36.9 mmtm -68.99 -44.55 72.6 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.911 179.371 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.448 HG23 ' O ' ' B' ' 53' ' ' ALA . 77.3 t -62.42 -43.9 98.7 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.647 -176.237 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 23.4 ptp -63.39 -15.26 57.02 Favored 'General case' 0 C--N 1.317 -0.835 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.813 -177.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . 0.546 ' O ' ' HG2' ' B' ' 63' ' ' GLU . 0.1 OUTLIER -60.79 -47.53 85.92 Favored 'General case' 0 CA--C 1.503 -0.864 0 C-N-CA 120.39 -0.524 . . . . 0.0 109.712 -178.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 53.2 mp0 -61.31 -39.9 92.21 Favored 'General case' 0 CA--C 1.509 -0.614 0 O-C-N 123.54 0.525 . . . . 0.0 109.678 179.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.483 ' CD2' HD13 ' B' ' 77' ' ' LEU . 3.7 mm? -62.05 -40.76 96.84 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 175.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.482 ' HB3' ' NZ ' ' B' ' 59' ' ' LYS . 28.9 t70 -64.22 -42.16 96.71 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.733 173.568 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . 0.546 ' HG2' ' O ' ' B' ' 59' ' ' LYS . 75.2 mm-40 -59.49 -44.21 93.13 Favored 'General case' 0 CA--C 1.505 -0.772 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 176.662 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . 0.459 ' O ' ' NZ ' ' B' ' 30' ' ' LYS . 24.4 t-20 -67.82 6.36 0.7 Allowed 'General case' 0 C--N 1.31 -1.145 0 CA-C-N 113.728 -1.578 . . . . 0.0 110.543 175.319 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.433 ' H ' ' C ' ' B' ' 63' ' ' GLU . . . -79.58 -8.47 87.71 Favored Glycine 0 C--O 1.235 0.201 0 N-CA-C 109.896 -1.282 . . . . 0.0 109.896 178.125 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -64.25 -37.69 88.38 Favored 'General case' 0 CA--C 1.499 -1.001 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 173.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -132.16 -131.34 3.21 Favored Glycine 0 C--N 1.305 -1.142 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 -177.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -120.09 172.54 7.69 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-O 121.542 0.687 . . . . 0.0 111.614 -178.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.929 HG23 ' HB2' ' B' ' 73' ' ' GLU . 0.5 OUTLIER -122.66 135.29 63.22 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 CA-C-N 114.496 -1.229 . . . . 0.0 107.879 177.48 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.469 ' HA ' ' CZ ' ' B' ' 15' ' ' PHE 0.254 7.1 p30 -120.9 -156.75 0.69 Allowed 'General case' 0 C--N 1.305 -1.363 0 C-N-CA 118.899 -1.12 . . . . 0.0 110.907 175.251 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.624 ' O ' HG22 ' B' ' 75' ' ' VAL . 43.0 t80 -59.15 -42.55 90.96 Favored 'General case' 0 C--N 1.289 -2.061 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 -174.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.751 ' HG3' HG11 ' A' ' 83' ' ' VAL . 47.7 mt-30 -61.82 -44.82 96.09 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.835 179.025 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.929 ' HB2' HG23 ' B' ' 69' ' ' VAL . 55.2 mp0 -70.14 -38.69 75.58 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 120.206 -0.597 . . . . 0.0 110.49 175.267 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . 0.624 ' CE1' HD21 ' B' ' 36' ' ' LEU . 24.1 t80 -61.53 -47.59 84.89 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.022 -0.535 . . . . 0.0 112.379 -178.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.888 HG21 ' CB ' ' A' ' 79' ' ' ALA . 17.5 m -63.31 -41.71 93.75 Favored 'Isoleucine or valine' 0 C--O 1.237 0.413 0 C-N-CA 120.222 -0.591 . . . . 0.0 112.255 -178.038 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.412 ' O ' ' N ' ' B' ' 80' ' ' ALA . 10.2 p -64.43 -39.21 84.76 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 C-N-CA 120.576 -0.45 . . . . 0.0 111.098 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.693 HD23 HD21 ' B' ' 33' ' ' LEU . 58.3 tp -61.23 -48.52 81.1 Favored 'General case' 0 CA--C 1.516 -0.34 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.654 -179.174 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.759 HG12 HD23 ' B' ' 37' ' ' LEU . 17.5 m -67.93 -41.85 85.11 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.815 0 C-N-CA 119.911 -0.716 . . . . 0.0 110.389 177.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.728 ' CB ' HG21 ' A' ' 75' ' ' VAL . . . -63.81 -41.36 97.89 Favored 'General case' 0 CA--C 1.51 -0.579 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.989 178.066 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . 0.461 ' O ' HG12 ' B' ' 83' ' ' VAL . . . -57.7 -48.6 79.09 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 178.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' B' ' 81' ' ' LEU . 88.3 mt -63.14 -42.82 99.55 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.319 175.393 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.639 HG22 ' OD1' ' B' ' 86' ' ' ASN . 9.4 m -63.53 -49.91 71.62 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.655 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.461 HG12 ' O ' ' B' ' 80' ' ' ALA . 1.6 p -60.94 -43.71 96.49 Favored 'Isoleucine or valine' 0 C--O 1.238 0.496 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.465 178.416 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -58.28 -48.2 81.22 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 176.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 39.7 tpp -64.42 -40.0 94.91 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.19 178.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.639 ' OD1' HG22 ' B' ' 82' ' ' THR . 13.7 m120 -61.37 -37.7 84.3 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.948 -177.472 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -46.33 -41.71 13.72 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-O 120.956 0.407 . . . . 0.0 110.232 -177.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -60.35 -47.23 86.94 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.687 171.129 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . 0.534 ' N ' ' O ' ' B' ' 86' ' ' ASN . 5.8 t80 -58.05 -47.83 81.95 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 115.627 -0.715 . . . . 0.0 112.392 -173.338 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . 0.582 ' CD1' ' O ' ' B' ' 86' ' ' ASN . 19.1 m95 -58.62 -42.47 88.31 Favored 'General case' 0 CA--C 1.509 -0.623 0 C-N-CA 120.11 -0.636 . . . . 0.0 110.548 -172.44 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -100.21 -2.33 34.17 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.45 -0.796 . . . . 0.0 111.753 -173.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -55.38 120.17 6.71 Favored 'General case' 0 C--O 1.241 0.636 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 179.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 69.3 m . . . . . 0 C--O 1.201 -1.473 0 CA-C-O 118.316 -0.849 . . . . 0.0 110.708 -174.188 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.239 0.448 0 N-CA-C 110.245 -1.142 . . . . 0.0 110.245 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 m -67.45 156.91 35.47 Favored 'General case' 0 C--N 1.312 -1.036 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 178.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 56.8 mp0 -57.08 -41.14 78.26 Favored 'General case' 0 C--N 1.318 -0.773 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.231 -178.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.865 HD12 HD23 ' B' ' 11' ' ' LEU . 2.3 mm? -61.17 -44.17 97.72 Favored 'General case' 0 CA--C 1.514 -0.423 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 177.49 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 69.1 mt-10 -64.87 -44.18 90.55 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.572 179.032 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.0 m -61.96 -46.48 89.07 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.4 176.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.82 -48.68 77.44 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.059 -0.518 . . . . 0.0 109.851 178.047 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.686 ' HB3' HG21 ' B' ' 82' ' ' THR . 96.8 mmm -64.37 -41.87 96.47 Favored 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 120.481 -0.488 . . . . 0.0 111.038 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 84.9 mt-10 -65.89 -35.39 80.51 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 120.243 -0.583 . . . . 0.0 110.445 175.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 21.4 m -58.02 -43.69 86.85 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 175.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 1.014 HD23 HD12 ' B' ' 4' ' ' LEU . 84.1 mt -62.37 -40.03 95.12 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.257 174.231 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.749 HG21 ' OD1' ' B' ' 86' ' ' ASN . 24.3 mm -61.98 -44.36 98.82 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 179.257 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 37.9 m-80 -60.6 -42.82 97.53 Favored 'General case' 0 CA--C 1.508 -0.656 0 CA-C-O 120.925 0.393 . . . . 0.0 110.142 -176.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.707 HG11 ' HG2' ' A' ' 40' ' ' GLU . 84.4 t -67.54 -43.39 87.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.708 174.319 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.418 ' CE1' ' HB2' ' A' ' 28' ' ' LEU . 77.4 t80 -57.32 -48.07 79.9 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 -179.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -66.54 -36.54 82.94 Favored 'General case' 0 CA--C 1.505 -0.767 0 CA-C-N 115.81 -0.632 . . . . 0.0 112.397 176.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.09 -44.95 67.97 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 177.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.514 ' CD2' HD13 ' A' ' 36' ' ' LEU . 96.6 m-70 -73.75 -35.39 65.02 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 116.001 -0.545 . . . . 0.0 112.047 174.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 34.0 m -51.44 -34.85 36.99 Favored 'General case' 0 N--CA 1.481 1.083 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 175.1 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.66 -33.41 86.61 Favored Glycine 0 CA--C 1.523 0.537 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.359 179.011 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -63.76 -45.66 88.82 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.432 0.634 . . . . 0.0 109.512 -176.031 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.42 ' H ' ' HG3' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -88.06 -48.77 7.49 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.24 -179.415 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.5 29.06 20.29 Favored Glycine 0 CA--C 1.529 0.952 0 CA-C-O 119.483 -0.621 . . . . 0.0 113.791 172.109 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -58.87 -46.03 88.78 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 173.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.445 ' NZ ' ' OH ' ' A' ' 26' ' ' TYR . 34.5 pttt 144.16 -53.46 0.01 OUTLIER 'General case' 0 CA--C 1.503 -0.835 0 C-N-CA 127.345 2.258 . . . . 0.0 108.992 175.445 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.577 ' CG ' ' CE3' ' B' ' 90' ' ' TRP . 1.7 p90 -148.91 92.87 2.03 Favored 'General case' 0 N--CA 1.44 -0.948 0 CA-C-N 115.062 -0.972 . . . . 0.0 110.921 167.6 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.531 ' HG2' ' O ' ' A' ' 26' ' ' TYR . 1.0 OUTLIER -164.2 176.87 8.81 Favored 'General case' 0 C--N 1.31 -1.115 0 N-CA-C 105.697 -1.964 . . . . 0.0 105.697 174.373 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.491 HD21 HD23 ' A' ' 36' ' ' LEU . 51.7 tp -129.14 125.86 38.03 Favored 'General case' 0 C--N 1.305 -1.337 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 168.464 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.5 p -84.72 161.6 19.97 Favored 'General case' 0 N--CA 1.428 -1.554 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 178.385 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.576 ' NZ ' ' O ' ' A' ' 65' ' ' GLY . 8.0 mmmm -71.14 -5.5 32.21 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-O 121.17 0.51 . . . . 0.0 109.7 179.59 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 57.7 mttm -60.93 -47.42 86.52 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.134 -175.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.503 ' O ' ' N ' ' A' ' 36' ' ' LEU . 48.0 mm-40 -98.09 -24.41 15.33 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 114.235 -1.348 . . . . 0.0 111.796 -173.01 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.654 HD21 HD23 ' A' ' 77' ' ' LEU . 3.1 tm? -57.43 -46.97 82.97 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -167.733 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.485 ' HG3' ' N ' ' A' ' 35' ' ' GLU . 25.7 pttm -59.57 -45.31 92.22 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.494 0.664 . . . . 0.0 109.487 179.437 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.485 ' N ' ' HG3' ' A' ' 34' ' ' LYS . 82.2 mt-10 -68.68 -43.55 75.9 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 114.978 -1.01 . . . . 0.0 109.355 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.596 HD21 ' CE1' ' A' ' 74' ' ' TYR . 3.8 tp -61.24 -48.93 79.22 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-N 114.764 -1.107 . . . . 0.0 111.864 -178.496 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.816 HD21 HD12 ' A' ' 81' ' ' LEU . 2.0 tm? -62.27 -47.02 86.2 Favored 'General case' 0 C--N 1.31 -1.148 0 C-N-CA 119.756 -0.777 . . . . 0.0 110.721 -176.353 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.536 ' HA ' HD22 ' A' ' 45' ' ' LEU . 15.7 pt20 -66.35 -40.97 90.14 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 120.386 -0.525 . . . . 0.0 110.805 177.197 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.406 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 65.6 m -62.95 -52.1 64.31 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.417 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.707 ' HG2' HG11 ' A' ' 14' ' ' VAL . 0.2 OUTLIER -69.65 -40.38 76.51 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -178.199 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.556 HD22 HD21 ' A' ' 37' ' ' LEU . 10.7 mp -94.45 46.02 1.14 Allowed 'General case' 0 C--N 1.311 -1.079 0 C-N-CA 120.983 -0.287 . . . . 0.0 111.571 -178.103 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.5 m -56.92 -44.09 82.07 Favored 'General case' 0 C--O 1.241 0.606 0 C-N-CA 120.143 -0.623 . . . . 0.0 110.452 -175.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.43 -45.39 54.62 Favored Glycine 0 C--N 1.316 -0.551 0 N-CA-C 111.494 -0.642 . . . . 0.0 111.494 178.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.445 ' HD1' ' SD ' ' A' ' 85' ' ' MET . 39.3 m-85 -69.0 -41.47 77.77 Favored 'General case' 0 CA--C 1.505 -0.751 0 CA-C-O 121.212 0.53 . . . . 0.0 110.796 -178.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.536 HD22 ' HA ' ' A' ' 38' ' ' GLN . 43.0 tp -61.87 -46.64 88.54 Favored 'General case' 0 N--CA 1.436 -1.164 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.969 178.552 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -63.91 -42.41 97.41 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.105 0.479 . . . . 0.0 111.394 178.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.556 ' HB3' ' HG3' ' A' ' 85' ' ' MET . . . -61.7 -44.49 96.83 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.591 -0.731 . . . . 0.0 112.816 -174.005 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.499 ' HG2' ' HB2' ' A' ' 85' ' ' MET . 1.4 pp0? -114.8 41.96 2.26 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 -176.654 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.413 ' HG3' ' O ' ' A' ' 45' ' ' LEU . 8.9 mtpm? -62.2 -40.62 96.68 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.329 0.585 . . . . 0.0 109.627 174.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -65.77 -20.54 66.3 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.157 -0.929 . . . . 0.0 111.613 -176.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.584 ' O ' HG12 ' A' ' 54' ' ' VAL . 3.8 t -77.95 102.94 4.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 178.704 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -47.74 -30.53 3.96 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.552 -176.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.737 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -54.38 -29.08 47.42 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.683 179.333 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.584 HG12 ' O ' ' A' ' 51' ' ' VAL . 9.7 p -58.38 -44.7 89.11 Favored 'Isoleucine or valine' 0 C--O 1.234 0.255 0 C-N-CA 120.162 -0.615 . . . . 0.0 109.405 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.426 ' N ' HG13 ' A' ' 54' ' ' VAL . 21.8 t70 -60.89 -48.55 81.3 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-O 121.648 0.737 . . . . 0.0 109.749 177.623 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 47.6 mttp -64.54 -40.42 95.57 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 114.73 -1.123 . . . . 0.0 111.647 -179.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.737 HG23 ' O ' ' A' ' 53' ' ' ALA . 69.6 t -59.52 -45.23 94.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 178.508 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.782 ' SD ' HD12 ' A' ' 37' ' ' LEU . 7.2 mmm -61.01 -43.88 98.23 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.161 176.62 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.439 ' O ' ' HG3' ' A' ' 63' ' ' GLU . 28.4 ttpp -66.55 -50.91 61.6 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.038 -0.983 . . . . 0.0 112.361 -179.377 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -62.27 -45.42 93.35 Favored 'General case' 0 C--N 1.304 -1.388 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.826 -172.128 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.471 ' HG ' ' HB2' ' A' ' 77' ' ' LEU . 3.6 mm? -64.4 -39.55 94.08 Favored 'General case' 0 C--N 1.307 -1.272 0 C-N-CA 120.007 -0.677 . . . . 0.0 109.812 174.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.486 ' HA ' ' CE ' ' A' ' 30' ' ' LYS . 34.4 t70 -60.97 -42.02 97.53 Favored 'General case' 0 CA--C 1.51 -0.562 0 C-N-CA 120.438 -0.505 . . . . 0.0 110.776 177.114 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.439 ' HG3' ' O ' ' A' ' 59' ' ' LYS . 48.8 mt-10 -63.73 -40.87 97.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.944 0.402 . . . . 0.0 110.101 179.217 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.28 -43.71 98.2 Favored 'General case' 0 CA--C 1.505 -0.765 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.4 173.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.576 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . . . -73.63 49.67 1.69 Allowed Glycine 0 CA--C 1.505 -0.577 0 N-CA-C 110.221 -1.152 . . . . 0.0 110.221 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -63.4 -36.89 85.21 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 -178.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -96.96 -64.37 0.91 Allowed Glycine 0 C--N 1.32 -0.333 0 N-CA-C 110.373 -1.091 . . . . 0.0 110.373 176.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -143.0 -179.99 6.69 Favored 'General case' 0 CA--C 1.508 -0.64 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 178.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.524 HG11 ' HB2' ' A' ' 33' ' ' LEU . 2.4 p -122.49 128.38 75.36 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.916 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 168.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.601 ' CG ' ' N ' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -100.9 175.54 5.58 Favored 'General case' 0 C--N 1.314 -0.948 0 C-N-CA 120.501 -0.48 . . . . 0.0 111.767 -176.734 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.634 ' CD1' HD13 ' A' ' 12' ' ' ILE . 77.9 t80 -60.24 -45.5 93.03 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.029 -177.069 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.466 ' O ' HG22 ' A' ' 75' ' ' VAL . 50.5 mt-30 -60.17 -41.78 93.59 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.712 0.767 . . . . 0.0 109.268 177.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.453 ' O ' HG12 ' A' ' 76' ' ' VAL . 88.0 mt-10 -68.08 -41.24 82.19 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 114.902 -1.044 . . . . 0.0 109.577 177.542 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.596 ' CE1' HD21 ' A' ' 36' ' ' LEU . 28.8 t80 -61.25 -47.62 85.18 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.619 179.274 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.641 HG21 ' CB ' ' B' ' 79' ' ' ALA . 19.7 m -63.18 -41.55 93.21 Favored 'Isoleucine or valine' 0 C--O 1.236 0.384 0 C-N-CA 120.344 -0.542 . . . . 0.0 111.681 -177.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.453 HG12 ' O ' ' A' ' 73' ' ' GLU . 11.1 p -64.88 -37.65 80.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 C-N-CA 120.381 -0.528 . . . . 0.0 110.645 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.654 HD23 HD21 ' A' ' 33' ' ' LEU . 44.5 tp -61.02 -48.21 82.87 Favored 'General case' 0 CA--C 1.513 -0.462 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.478 178.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.63 HG12 HD23 ' A' ' 37' ' ' LEU . 17.8 m -68.7 -42.56 83.16 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.899 0 C-N-CA 120.048 -0.661 . . . . 0.0 111.066 177.372 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.722 ' CB ' HG21 ' B' ' 75' ' ' VAL . . . -62.61 -39.32 93.41 Favored 'General case' 0 CA--C 1.507 -0.677 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.498 178.462 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.569 ' CB ' HE21 ' B' ' 72' ' ' GLN . . . -56.47 -50.26 72.24 Favored 'General case' 0 CA--C 1.508 -0.649 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.816 HD12 HD21 ' A' ' 37' ' ' LEU . 95.4 mt -64.36 -42.07 96.39 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.604 175.326 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.425 ' O ' ' HB2' ' A' ' 86' ' ' ASN . 17.8 m -62.23 -48.53 79.55 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.033 -178.159 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.485 HG23 ' HH2' ' A' ' 90' ' ' TRP . 14.5 p -61.76 -45.77 97.97 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.239 0 C-N-CA 120.12 -0.632 . . . . 0.0 109.992 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.94 -50.77 72.04 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.672 177.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.556 ' HG3' ' HB3' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -65.64 -49.52 68.35 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-O 121.19 0.519 . . . . 0.0 111.122 -178.51 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.615 ' HB3' ' CZ2' ' A' ' 90' ' ' TRP . 3.1 t-20 -62.89 -31.2 72.2 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.93 -175.152 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.52 ' HA ' ' CE3' ' A' ' 90' ' ' TRP . 0.2 OUTLIER -46.45 -35.01 5.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.41 -0.813 . . . . 0.0 110.51 176.643 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -57.08 -44.36 83.03 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.137 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.408 ' O ' ' OG ' ' A' ' 93' ' ' SER . 64.5 m-85 -64.96 -41.87 95.1 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.704 178.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.615 ' CZ2' ' HB3' ' A' ' 86' ' ' ASN . 9.4 m0 -64.05 -44.15 93.36 Favored 'General case' 0 CA--C 1.497 -1.081 0 CA-C-O 121.509 0.671 . . . . 0.0 109.392 -178.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.484 ' CG ' ' ND2' ' A' ' 87' ' ' ASN . 7.2 mm-40 -69.89 -47.69 61.58 Favored 'General case' 0 C--N 1.302 -1.481 0 CA-C-N 114.283 -1.326 . . . . 0.0 110.776 -176.537 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -100.05 100.19 11.03 Favored 'General case' 0 CA--C 1.506 -0.741 0 C-N-CA 120.595 -0.442 . . . . 0.0 109.941 175.353 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.408 ' OG ' ' O ' ' A' ' 89' ' ' PHE . 3.1 m . . . . . 0 C--O 1.205 -1.276 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.585 -177.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.521 0 N-CA-C 110.465 -1.054 . . . . 0.0 110.465 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . 0.419 ' OG ' ' O ' ' A' ' 40' ' ' GLU . 6.7 m -66.09 160.0 24.88 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 120.94 0.4 . . . . 0.0 110.595 178.624 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.419 ' O ' ' N ' ' B' ' 7' ' ' ALA . 49.0 mt-10 -57.91 -34.89 70.32 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 175.552 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 1.014 HD12 HD23 ' A' ' 11' ' ' LEU . 1.3 mm? -62.1 -42.34 99.12 Favored 'General case' 0 C--N 1.309 -1.194 0 CA-C-N 115.086 -0.961 . . . . 0.0 108.919 177.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -64.52 -40.57 95.86 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 177.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 17.1 m -61.17 -44.81 96.72 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.381 -0.827 . . . . 0.0 108.901 173.104 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.419 ' N ' ' O ' ' B' ' 3' ' ' GLU . . . -58.35 -47.63 83.15 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.004 176.245 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . 0.563 ' SD ' HD12 ' B' ' 11' ' ' LEU . 94.0 mmm -63.23 -41.42 99.11 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.788 177.601 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.439 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 1.2 mm-40 -62.42 -38.84 91.24 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 176.068 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.5 ' O ' HG23 ' B' ' 14' ' ' VAL . 9.5 m -60.31 -43.02 96.71 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 175.738 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.865 HD23 HD12 ' A' ' 4' ' ' LEU . 70.4 mt -61.8 -42.94 99.64 Favored 'General case' 0 C--O 1.236 0.379 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 174.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.532 HG21 ' ND2' ' A' ' 86' ' ' ASN . 21.8 mm -63.58 -45.1 98.55 Favored 'Isoleucine or valine' 0 C--O 1.237 0.439 0 CA-C-O 121.068 0.461 . . . . 0.0 109.916 -179.522 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . 0.439 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 54.7 m-80 -62.01 -43.14 99.48 Favored 'General case' 0 CA--C 1.508 -0.664 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.844 -178.449 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.766 HG21 HD21 ' A' ' 4' ' ' LEU . 89.2 t -65.3 -46.46 90.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.236 176.349 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.564 ' CE1' ' HB2' ' B' ' 28' ' ' LEU . 90.3 t80 -58.88 -49.03 79.3 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.845 -178.381 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.457 ' HA ' ' OG ' ' B' ' 19' ' ' SER . 8.2 m-70 -71.35 -30.72 66.5 Favored 'General case' 0 CA--C 1.506 -0.721 0 N-CA-C 113.3 0.852 . . . . 0.0 113.3 178.282 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.03 -41.03 74.35 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 173.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.82 ' CD2' HD13 ' B' ' 36' ' ' LEU . 85.8 m-70 -74.62 -38.42 62.56 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.549 -0.75 . . . . 0.0 112.15 174.49 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.457 ' OG ' ' HA ' ' B' ' 16' ' ' HIS . 34.6 m -50.51 -35.9 31.45 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 178.456 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -56.71 -36.26 71.1 Favored Glycine 0 CA--C 1.524 0.631 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.587 -178.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.573 ' HD3' ' HA ' ' B' ' 18' ' ' HIS . 0.2 OUTLIER -63.55 -44.62 93.64 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 122.425 -0.456 . . . . 0.0 111.365 179.57 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.547 ' O ' ' N ' ' B' ' 24' ' ' ASP . 0.0 OUTLIER -150.15 -45.55 0.13 Allowed 'General case' 0 C--O 1.236 0.352 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 -175.099 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . 0.45 ' N ' ' OE1' ' B' ' 22' ' ' GLU . . . -57.77 59.77 0.01 OUTLIER Glycine 0 CA--C 1.526 0.779 0 CA-C-N 115.581 -0.736 . . . . 0.0 113.813 -169.311 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.547 ' N ' ' O ' ' B' ' 22' ' ' GLU . 6.0 t70 39.74 -156.68 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 122.882 0.473 . . . . 0.0 110.453 176.262 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.524 ' HD2' ' CZ ' ' B' ' 26' ' ' TYR . 2.4 pttt -68.14 -47.86 66.92 Favored 'General case' 0 CA--C 1.508 -0.653 0 C-N-CA 118.417 -1.313 . . . . 0.0 108.902 177.345 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.524 ' CZ ' ' HD2' ' B' ' 25' ' ' LYS . 0.1 OUTLIER -134.66 92.5 2.91 Favored 'General case' 0 N--CA 1.445 -0.675 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.649 174.422 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.491 ' HG2' ' O ' ' B' ' 26' ' ' TYR . 3.2 mmtm -165.64 -174.92 3.28 Favored 'General case' 0 CA--C 1.507 -0.688 0 C-N-CA 124.921 1.288 . . . . 0.0 108.159 171.57 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.571 HD21 HD23 ' B' ' 36' ' ' LEU . 48.4 tp -144.41 135.44 25.18 Favored 'General case' 0 C--N 1.307 -1.246 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 170.685 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -102.62 163.81 12.01 Favored 'General case' 0 C--N 1.309 -1.183 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 178.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.516 ' NZ ' ' O ' ' B' ' 65' ' ' GLY . 0.3 OUTLIER -70.18 -6.91 37.66 Favored 'General case' 0 CA--C 1.509 -0.631 0 C-N-CA 119.49 -0.884 . . . . 0.0 109.449 -178.284 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 42.4 mttm -64.55 -47.87 77.17 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 107.603 -1.258 . . . . 0.0 107.603 -177.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.507 ' OE1' ' NZ ' ' B' ' 21' ' ' LYS . 52.6 mm-40 -89.0 -42.45 11.76 Favored 'General case' 0 C--O 1.222 -0.386 0 CA-C-N 114.154 -1.384 . . . . 0.0 111.785 178.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.815 HD11 ' CD2' ' B' ' 77' ' ' LEU . 2.6 tm? -52.72 -47.08 67.58 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 120.627 0.251 . . . . 0.0 111.239 -168.42 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.44 ' HG3' ' N ' ' B' ' 35' ' ' GLU . 16.9 pttp -58.85 -44.26 90.98 Favored 'General case' 0 C--N 1.309 -1.172 0 C-N-CA 120.167 -0.613 . . . . 0.0 110.509 178.332 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.44 ' N ' ' HG3' ' B' ' 34' ' ' LYS . 48.1 mm-40 -69.2 -45.89 68.79 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 122.027 0.918 . . . . 0.0 108.784 179.167 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.82 HD13 ' CD2' ' B' ' 18' ' ' HIS . 2.8 tp -60.83 -48.21 82.85 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 114.263 -1.335 . . . . 0.0 111.786 -178.049 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.747 HD11 ' CD1' ' B' ' 81' ' ' LEU . 2.3 tm? -62.62 -47.18 84.87 Favored 'General case' 0 C--N 1.311 -1.099 0 C-N-CA 120.112 -0.635 . . . . 0.0 111.105 -176.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.562 ' HB2' ' CD2' ' B' ' 45' ' ' LEU . 3.8 pt20 -66.02 -40.48 91.08 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 119.903 -0.719 . . . . 0.0 110.792 177.245 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.405 ' N ' ' HG3' ' B' ' 38' ' ' GLN . 98.3 m -63.74 -52.36 60.78 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 115.665 -0.698 . . . . 0.0 112.25 -177.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.735 ' HG2' HD12 ' B' ' 36' ' ' LEU . 56.5 mm-40 -73.4 -41.01 63.83 Favored 'General case' 0 C--N 1.332 -0.155 0 C-N-CA 120.159 -0.617 . . . . 0.0 112.261 -175.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 9.6 mp -96.02 35.96 1.36 Allowed 'General case' 0 CA--C 1.51 -0.563 0 CA-C-O 121.149 0.499 . . . . 0.0 109.9 -179.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -57.88 -36.59 72.61 Favored 'General case' 0 N--CA 1.442 -0.873 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.146 -176.476 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.88 -46.34 67.71 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 176.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.453 ' O ' ' HG3' ' B' ' 48' ' ' GLN . 15.3 m-85 -66.87 -43.91 82.29 Favored 'General case' 0 CA--C 1.496 -1.117 0 CA-C-O 121.26 0.552 . . . . 0.0 110.055 176.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.562 ' CD2' ' HB2' ' B' ' 38' ' ' GLN . 14.6 tp -61.32 -50.05 74.53 Favored 'General case' 0 N--CA 1.434 -1.269 0 CA-C-N 115.188 -0.914 . . . . 0.0 111.881 -177.016 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -61.21 -35.42 77.14 Favored 'General case' 0 C--N 1.305 -1.327 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.062 -177.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.22 -39.54 86.97 Favored 'General case' 0 C--N 1.309 -1.178 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.306 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.568 ' HG2' ' SD ' ' B' ' 85' ' ' MET . 1.1 pp0? -125.26 38.75 4.12 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 113.758 1.021 . . . . 0.0 113.758 -176.136 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.413 ' HG3' ' O ' ' B' ' 45' ' ' LEU . 5.7 mtpm? -61.7 -39.04 90.07 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 119.734 -0.787 . . . . 0.0 109.188 175.498 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -68.27 -28.81 67.53 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 114.977 -1.01 . . . . 0.0 112.208 -178.157 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 3.3 t -74.25 154.46 6.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 121.278 0.561 . . . . 0.0 112.349 -171.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.407 ' HB3' ' CE ' ' B' ' 56' ' ' LYS . 34.6 m-20 -61.91 -39.03 90.62 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.858 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.487 ' O ' HG23 ' B' ' 57' ' ' VAL . . . -49.03 -50.18 37.56 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 112.497 0.555 . . . . 0.0 112.497 -171.283 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.584 ' HA ' HD21 ' B' ' 81' ' ' LEU . 8.5 p -58.48 -46.81 89.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 C-N-CA 119.685 -0.806 . . . . 0.0 111.305 -175.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.491 ' O ' ' HB2' ' B' ' 59' ' ' LYS . 26.0 t70 -60.39 -49.96 75.51 Favored 'General case' 0 CA--C 1.508 -0.655 0 C-N-CA 119.737 -0.785 . . . . 0.0 110.302 177.445 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . 0.407 ' CE ' ' HB3' ' B' ' 52' ' ' ASP . 68.0 mttm -67.17 -42.59 84.01 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-N 114.996 -1.002 . . . . 0.0 112.043 -176.029 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.487 HG23 ' O ' ' B' ' 53' ' ' ALA . 47.1 t -62.78 -46.29 96.72 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.705 0 CA-C-O 121.408 0.623 . . . . 0.0 109.592 -179.147 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 51.8 ttp -60.84 -39.97 91.07 Favored 'General case' 0 N--CA 1.428 -1.56 0 CA-C-N 114.763 -1.108 . . . . 0.0 109.852 173.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . 0.679 ' NZ ' ' HB2' ' B' ' 59' ' ' LYS . 0.0 OUTLIER -63.23 -46.72 85.64 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.291 -179.46 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -64.13 -44.53 91.91 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.628 -0.714 . . . . 0.0 111.847 -177.321 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.429 ' N ' ' CD2' ' B' ' 61' ' ' LEU . 2.6 mm? -83.35 -10.78 58.26 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-O 120.984 0.421 . . . . 0.0 111.297 -176.643 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.463 ' OD1' ' NZ ' ' B' ' 30' ' ' LYS . 36.5 t70 -63.38 -37.14 86.12 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 120.581 -0.448 . . . . 0.0 111.223 -178.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.01 -48.86 79.96 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 124.043 0.839 . . . . 0.0 110.947 -174.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . 0.484 ' C ' ' H ' ' B' ' 66' ' ' ASP . 11.5 m-80 -62.76 -41.57 99.28 Favored 'General case' 0 CA--C 1.495 -1.157 0 CA-C-O 121.224 0.535 . . . . 0.0 110.032 175.622 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.516 ' O ' ' NZ ' ' B' ' 30' ' ' LYS . . . -72.26 38.23 0.68 Allowed Glycine 0 N--CA 1.44 -1.086 0 N-CA-C 110.771 -0.932 . . . . 0.0 110.771 177.555 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.484 ' H ' ' C ' ' B' ' 64' ' ' ASN . 10.5 t70 -61.32 -38.25 86.19 Favored 'General case' 0 CA--C 1.506 -0.723 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 177.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -131.96 -42.04 0.19 Allowed Glycine 0 C--N 1.308 -0.976 0 N-CA-C 110.062 -1.215 . . . . 0.0 110.062 176.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.461 ' OE1' ' NZ ' ' B' ' 27' ' ' LYS . 28.3 mt-10 -136.11 153.38 51.32 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.713 -0.243 . . . . 0.0 110.579 -178.174 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.438 HG13 ' HB3' ' B' ' 28' ' ' LEU . 2.2 p -126.69 128.34 70.96 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.06 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 170.53 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.546 ' CG ' ' N ' ' B' ' 71' ' ' PHE . 6.0 t70 -93.04 173.07 7.92 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 120.876 0.369 . . . . 0.0 111.77 -174.36 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.546 ' N ' ' CG ' ' B' ' 70' ' ' ASP . 75.8 t80 -59.03 -44.4 91.74 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.06 -178.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.569 HE21 ' CB ' ' A' ' 80' ' ' ALA . 79.6 mt-30 -57.52 -43.15 84.08 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.46 -0.571 . . . . 0.0 109.46 177.475 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -69.01 -39.26 79.4 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.993 177.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . 0.555 ' CE1' HD21 ' B' ' 36' ' ' LEU . 42.3 t80 -61.12 -47.8 84.58 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.63 179.289 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.722 HG21 ' CB ' ' A' ' 79' ' ' ALA . 20.4 m -62.78 -42.3 95.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 C-N-CA 120.155 -0.618 . . . . 0.0 111.759 -178.309 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.449 HG23 ' HB3' ' A' ' 72' ' ' GLN . 8.4 p -65.26 -39.39 85.25 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.596 0 C-N-CA 119.916 -0.714 . . . . 0.0 110.588 179.123 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.815 ' CD2' HD11 ' B' ' 33' ' ' LEU . 56.9 tp -61.56 -48.15 82.31 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.116 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.738 HG12 HD23 ' B' ' 37' ' ' LEU . 16.5 m -68.69 -40.34 81.5 Favored 'Isoleucine or valine' 0 C--O 1.243 0.749 0 C-N-CA 120.027 -0.669 . . . . 0.0 110.464 176.691 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.641 ' CB ' HG21 ' A' ' 75' ' ' VAL . . . -61.15 -40.35 93.51 Favored 'General case' 0 CA--C 1.502 -0.882 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.391 178.568 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . 0.516 ' O ' HG12 ' B' ' 83' ' ' VAL . . . -57.51 -49.03 77.65 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 -178.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.747 ' CD1' HD11 ' B' ' 37' ' ' LEU . 89.9 mt -63.59 -42.07 98.29 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.89 174.031 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.686 HG21 ' HB3' ' A' ' 8' ' ' MET . 18.8 m -62.16 -49.56 75.34 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.395 -179.276 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.516 HG12 ' O ' ' B' ' 80' ' ' ALA . 1.1 p -62.41 -42.41 95.5 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 179.642 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -58.55 -54.17 50.07 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.341 177.088 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 85' ' ' MET . . . . . 0.568 ' SD ' ' HG2' ' B' ' 48' ' ' GLN . 81.6 mmm -64.5 -42.73 95.66 Favored 'General case' 0 CA--C 1.51 -0.583 0 C-N-CA 120.198 -0.601 . . . . 0.0 111.589 177.639 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.749 ' OD1' HG21 ' A' ' 12' ' ' ILE . 2.4 t-20 -64.16 -39.39 93.9 Favored 'General case' 0 C--N 1.313 -0.983 0 C-N-CA 120.263 -0.575 . . . . 0.0 109.784 179.351 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . 0.68 ' HA ' ' CE3' ' B' ' 90' ' ' TRP . 3.4 t-20 -60.25 -41.35 93.03 Favored 'General case' 0 CA--C 1.503 -0.86 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.043 174.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.531 ' O ' ' N ' ' B' ' 92' ' ' ASN . 4.4 m-85 -60.29 -42.91 96.46 Favored 'General case' 0 N--CA 1.443 -0.802 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 174.348 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -61.36 -43.41 98.92 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 177.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . 0.681 ' NE1' ' OD1' ' B' ' 86' ' ' ASN . 5.4 m0 -62.53 -51.95 65.38 Favored 'General case' 0 CA--C 1.5 -0.956 0 C-N-CA 119.116 -1.034 . . . . 0.0 108.862 -178.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -74.69 -47.54 31.06 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 114.422 -1.263 . . . . 0.0 112.04 -176.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . 0.531 ' N ' ' O ' ' B' ' 88' ' ' PHE . 2.1 t30 -95.43 100.6 12.34 Favored 'General case' 0 CA--C 1.498 -1.023 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 175.067 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.304 -1.391 0 CA-C-O 118.291 -0.862 . . . . 0.0 109.809 -175.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.143 0 N-CA-C 110.504 -1.038 . . . . 0.0 110.504 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -63.54 173.91 1.5 Allowed 'General case' 0 C--O 1.253 1.244 0 CA-C-O 120.909 0.385 . . . . 0.0 110.855 -178.496 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -63.49 -37.98 89.39 Favored 'General case' 0 CA--C 1.506 -0.744 0 C-N-CA 120.373 -0.531 . . . . 0.0 109.815 175.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.839 HD13 ' CD2' ' B' ' 11' ' ' LEU . 0.5 OUTLIER -59.99 -47.1 87.2 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.783 -177.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.4 ' HG2' ' CD2' ' B' ' 44' ' ' PHE . 99.7 mt-10 -63.07 -44.82 94.71 Favored 'General case' 0 N--CA 1.446 -0.67 0 C-N-CA 119.904 -0.719 . . . . 0.0 109.737 178.403 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.3 m -63.5 -46.75 84.66 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 115.113 -0.949 . . . . 0.0 110.94 177.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.79 -47.09 85.95 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.371 0.605 . . . . 0.0 109.693 179.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.674 ' HB3' HG21 ' B' ' 82' ' ' THR . 97.1 mmm -63.21 -42.01 99.22 Favored 'General case' 0 N--CA 1.443 -0.811 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.073 179.03 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.452 ' HG2' ' ND2' ' B' ' 86' ' ' ASN . 93.8 mt-10 -65.91 -33.96 77.03 Favored 'General case' 0 CA--C 1.515 -0.39 0 C-N-CA 119.951 -0.699 . . . . 0.0 111.541 175.468 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.709 HG22 ' CD1' ' B' ' 4' ' ' LEU . 18.6 m -56.44 -44.07 80.07 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 176.294 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.964 HD11 ' SD ' ' B' ' 8' ' ' MET . 97.3 mt -64.45 -39.56 94.06 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.615 172.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.638 HD13 ' CD1' ' A' ' 71' ' ' PHE . 17.2 mm -62.0 -43.98 98.33 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 -177.303 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 59.5 m-80 -61.33 -41.41 96.97 Favored 'General case' 0 CA--C 1.502 -0.904 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.698 -177.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 73.0 t -62.85 -46.05 97.31 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 174.283 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.529 ' CE1' ' HB2' ' A' ' 28' ' ' LEU . 77.0 t80 -59.87 -47.31 86.27 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.195 179.552 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.541 ' NE2' ' CE2' ' B' ' 90' ' ' TRP . 2.1 m-70 -65.96 -42.66 89.64 Favored 'General case' 0 C--O 1.245 0.836 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 178.248 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.23 -46.56 79.5 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 179.112 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.44 ' HA ' ' HG2' ' A' ' 21' ' ' LYS . 92.2 m-70 -74.28 -31.57 62.58 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.071 176.623 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 70.4 m -55.66 -40.99 73.0 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-O 121.451 0.643 . . . . 0.0 109.708 178.262 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.02 -21.05 51.96 Favored Glycine 0 CA--C 1.526 0.726 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.88 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.44 ' HG2' ' HA ' ' A' ' 18' ' ' HIS . 31.1 mmtp -65.92 -44.13 86.08 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -172.29 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.548 ' HG3' ' H ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -89.58 -66.29 0.94 Allowed 'General case' 0 C--O 1.236 0.384 0 N-CA-C 113.32 0.859 . . . . 0.0 113.32 -171.914 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.548 ' H ' ' HG3' ' A' ' 22' ' ' GLU . . . 176.35 -37.06 0.1 OUTLIER Glycine 0 CA--C 1.527 0.786 0 C-N-CA 120.476 -0.869 . . . . 0.0 112.949 -179.597 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -65.02 151.08 46.9 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-N 117.268 0.534 . . . . 0.0 111.578 -176.111 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.495 ' NZ ' ' OE2' ' B' ' 91' ' ' GLU . 25.1 pttt -56.63 -41.39 77.04 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.002 175.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.4 ' CD1' ' O ' ' A' ' 26' ' ' TYR . 14.1 p90 -157.08 93.08 1.31 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.407 0.622 . . . . 0.0 111.633 172.488 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.444 ' HA ' ' HD2' ' A' ' 27' ' ' LYS . 9.7 mmmm -154.03 157.97 39.85 Favored 'General case' 0 C--N 1.305 -1.343 0 N-CA-C 107.137 -1.431 . . . . 0.0 107.137 171.357 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.529 ' HB2' ' CE1' ' A' ' 15' ' ' PHE . 40.1 tp -121.1 120.11 34.37 Favored 'General case' 0 C--N 1.305 -1.343 0 CA-C-O 121.443 0.64 . . . . 0.0 109.624 -177.658 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.5 p -79.42 158.5 27.33 Favored 'General case' 0 N--CA 1.431 -1.386 0 CA-C-N 115.121 -0.945 . . . . 0.0 110.101 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.693 ' NZ ' ' HA ' ' A' ' 62' ' ' ASP . 12.6 mmmm -69.59 -6.13 29.08 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.799 0.809 . . . . 0.0 109.067 174.094 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -62.8 -45.3 93.3 Favored 'General case' 0 N--CA 1.441 -0.902 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 176.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.472 ' O ' ' HB3' ' A' ' 36' ' ' LEU . 59.2 mm-40 -97.79 -41.96 7.81 Favored 'General case' 0 N--CA 1.438 -1.066 0 CA-C-N 114.091 -1.413 . . . . 0.0 110.986 -176.382 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.826 HD21 HD23 ' A' ' 77' ' ' LEU . 2.7 tm? -50.46 -50.41 52.51 Favored 'General case' 0 CA--C 1.516 -0.36 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -168.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.1 pttp -64.15 -47.12 81.11 Favored 'General case' 0 C--N 1.314 -0.96 0 C-N-CA 118.877 -1.129 . . . . 0.0 111.008 179.144 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 80.0 mt-10 -69.73 -44.61 69.95 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.188 -174.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.568 ' O ' HD12 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -63.22 -44.01 96.48 Favored 'General case' 0 C--N 1.311 -1.094 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.838 173.345 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.637 HD23 HG12 ' A' ' 78' ' ' VAL . 2.9 tm? -61.29 -45.99 92.2 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 120.49 -0.484 . . . . 0.0 110.401 -178.187 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.458 ' HA ' HD22 ' A' ' 45' ' ' LEU . 6.0 pt20 -65.79 -44.05 86.91 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 119.605 -0.838 . . . . 0.0 111.272 177.691 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.422 HG22 ' N ' ' A' ' 40' ' ' GLU . 0.7 OUTLIER -64.37 -52.14 59.78 Favored 'General case' 0 N--CA 1.439 -0.989 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -177.39 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.422 ' N ' HG22 ' A' ' 39' ' ' THR . 75.1 mm-40 -71.85 -41.07 68.53 Favored 'General case' 0 C--O 1.238 0.488 0 C-N-CA 119.922 -0.711 . . . . 0.0 111.309 -174.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.548 HD22 HD21 ' A' ' 37' ' ' LEU . 10.9 mp -98.82 28.05 4.55 Favored 'General case' 0 C--O 1.242 0.691 0 CA-C-O 121.133 0.492 . . . . 0.0 110.282 -179.487 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.52 -33.6 60.23 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.498 -176.522 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -66.52 -49.91 52.91 Favored Glycine 0 C--N 1.317 -0.472 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 176.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.488 ' HD1' ' SD ' ' A' ' 85' ' ' MET . 40.4 m-85 -67.64 -42.6 82.03 Favored 'General case' 0 CA--C 1.489 -1.378 0 CA-C-O 121.265 0.555 . . . . 0.0 109.998 178.005 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.458 HD22 ' HA ' ' A' ' 38' ' ' GLN . 49.9 tp -61.49 -47.16 86.9 Favored 'General case' 0 N--CA 1.428 -1.554 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.666 -178.613 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -66.34 -40.08 89.63 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.827 0.346 . . . . 0.0 111.304 176.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.732 ' HB3' ' SD ' ' A' ' 85' ' ' MET . . . -62.61 -41.25 98.88 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.811 -177.221 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.426 ' HB2' ' CG2' ' A' ' 51' ' ' VAL . 1.6 pp0? -129.24 39.95 3.69 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.681 0.623 . . . . 0.0 112.681 -179.5 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 46.6 tttm -60.22 -46.14 90.77 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.141 0.496 . . . . 0.0 109.663 178.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.405 ' C ' ' H ' ' A' ' 52' ' ' ASP . 17.8 t70 -69.8 -20.71 63.45 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.443 -0.799 . . . . 0.0 112.498 -177.671 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.481 ' O ' ' N ' ' A' ' 53' ' ' ALA . 84.1 t -57.74 -2.32 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -172.399 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.424 ' OD1' ' NZ ' ' A' ' 56' ' ' LYS . 34.3 t70 61.53 -40.0 0.13 Allowed 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 175.042 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.484 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -52.18 -35.41 48.82 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 178.081 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.478 ' HA ' HD21 ' A' ' 81' ' ' LEU . 2.4 p -58.64 -42.18 84.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.155 175.504 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.41 ' O ' ' N ' ' A' ' 59' ' ' LYS . 35.0 t70 -61.47 -46.45 89.99 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.324 0.583 . . . . 0.0 109.892 175.242 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.6 ' CD ' ' N ' ' A' ' 56' ' ' LYS . 4.1 mptt -65.68 -40.01 91.91 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.37 -179.611 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.731 HG12 HD12 ' A' ' 77' ' ' LEU . 73.3 t -65.05 -44.31 95.85 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.986 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 176.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 51.2 ttm -61.67 -36.99 82.43 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 114.493 -1.23 . . . . 0.0 110.185 175.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.447 ' NZ ' ' OE2' ' A' ' 63' ' ' GLU . 16.4 tptp -58.61 -43.83 89.71 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.254 -177.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -60.31 -41.92 94.49 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 177.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.771 ' HG ' HD22 ' A' ' 77' ' ' LEU . 2.0 mm? -63.06 -41.1 99.39 Favored 'General case' 0 C--O 1.243 0.749 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.799 175.072 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.693 ' HA ' ' NZ ' ' A' ' 30' ' ' LYS . 50.9 m-20 -66.53 -41.08 89.29 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 120.547 -0.461 . . . . 0.0 111.86 175.38 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.447 ' OE2' ' NZ ' ' A' ' 59' ' ' LYS . 91.5 mt-10 -65.67 -46.35 79.43 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 177.466 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.49 ' O ' ' N ' ' A' ' 66' ' ' ASP . 38.5 t-20 -64.95 -42.39 94.65 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.698 178.314 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 61' ' ' LEU . . . -62.03 42.3 0.06 OUTLIER Glycine 0 N--CA 1.465 0.583 0 CA-C-N 115.735 -0.666 . . . . 0.0 113.059 -173.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.49 ' N ' ' O ' ' A' ' 64' ' ' ASN . 38.7 t70 -63.67 -37.5 87.57 Favored 'General case' 0 CA--C 1.507 -0.676 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 174.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.406 ' O ' ' HG3' ' A' ' 68' ' ' GLU . . . -120.22 -68.67 0.29 Allowed Glycine 0 C--N 1.317 -0.479 0 N-CA-C 110.476 -1.05 . . . . 0.0 110.476 177.796 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.437 ' HB2' ' HE2' ' A' ' 27' ' ' LYS . 0.6 OUTLIER -146.84 171.81 14.62 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.494 HG13 ' O ' ' A' ' 28' ' ' LEU . 0.4 OUTLIER -113.42 132.24 62.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 170.003 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.412 ' O ' ' N ' ' A' ' 74' ' ' TYR . 0.0 OUTLIER -92.31 -178.86 5.06 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.439 -0.504 . . . . 0.0 110.302 -177.624 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.638 ' CD1' HD13 ' A' ' 12' ' ' ILE . 75.7 t80 -60.42 -45.14 94.69 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.899 0.38 . . . . 0.0 110.243 179.382 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -59.52 -42.1 91.46 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.457 ' O ' HG12 ' A' ' 76' ' ' VAL . 96.3 mt-10 -70.17 -41.43 73.8 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.979 176.062 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.412 ' N ' ' O ' ' A' ' 70' ' ' ASP . 43.0 t80 -61.37 -47.68 84.71 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 177.597 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.946 HG21 ' CB ' ' B' ' 79' ' ' ALA . 19.6 m -62.43 -42.43 95.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 C-N-CA 120.075 -0.65 . . . . 0.0 112.217 -177.763 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.457 HG12 ' O ' ' A' ' 73' ' ' GLU . 12.2 p -64.26 -37.58 80.29 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.713 0 C-N-CA 120.252 -0.579 . . . . 0.0 110.355 -178.309 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.826 HD23 HD21 ' A' ' 33' ' ' LEU . 54.2 tp -60.73 -50.25 74.23 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.283 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.637 HG12 HD23 ' A' ' 37' ' ' LEU . 16.8 m -69.26 -42.15 81.34 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.654 177.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.736 ' CB ' HG21 ' B' ' 75' ' ' VAL . . . -62.44 -44.88 95.37 Favored 'General case' 0 CA--C 1.511 -0.534 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.19 -179.5 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.68 -42.13 92.22 Favored 'General case' 0 CA--C 1.509 -0.62 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.478 HD21 ' HA ' ' A' ' 54' ' ' VAL . 95.4 mt -64.33 -41.62 96.71 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.301 174.662 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.484 ' O ' ' HB2' ' A' ' 86' ' ' ASN . 19.4 m -61.61 -51.31 69.04 Favored 'General case' 0 N--CA 1.445 -0.705 0 C-N-CA 120.341 -0.544 . . . . 0.0 109.833 -179.004 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.7 HG11 ' HG3' ' B' ' 72' ' ' GLN . 5.7 p -66.02 -36.84 78.44 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.218 0 C-N-CA 120.77 -0.372 . . . . 0.0 111.029 176.464 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.22 -50.7 68.74 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 120.426 -0.51 . . . . 0.0 110.4 178.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.732 ' SD ' ' HB3' ' A' ' 47' ' ' ALA . 23.1 ttp -74.95 -45.94 38.89 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 119.805 -0.758 . . . . 0.0 110.522 178.116 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.586 ' HB3' ' CZ2' ' A' ' 90' ' ' TRP . 0.5 OUTLIER -59.49 -30.06 68.28 Favored 'General case' 0 CA--C 1.507 -0.702 0 C-N-CA 120.59 -0.444 . . . . 0.0 109.963 -177.907 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.473 HD21 ' CD ' ' A' ' 91' ' ' GLU . 19.6 t-20 -54.24 -39.07 66.45 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.016 173.759 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -59.56 -45.08 92.87 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 174.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -61.2 -42.94 99.47 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 119.708 -0.797 . . . . 0.0 109.596 175.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.774 ' HZ2' HD12 ' B' ' 12' ' ' ILE . 15.2 m0 -67.96 -47.92 67.27 Favored 'General case' 0 CA--C 1.498 -1.043 0 CA-C-O 121.064 0.459 . . . . 0.0 110.384 -177.659 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.473 ' CD ' HD21 ' A' ' 87' ' ' ASN . 88.0 mt-10 -84.8 6.31 25.06 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.311 -179.488 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -56.16 105.62 0.21 Allowed 'General case' 0 CA--C 1.509 -0.614 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 179.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 58.6 m . . . . . 0 C--O 1.203 -1.377 0 CA-C-O 118.469 -0.777 . . . . 0.0 109.491 -175.548 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.359 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 40.2 m -87.4 166.57 14.73 Favored 'General case' 0 C--N 1.317 -0.812 0 O-C-N 123.706 0.298 . . . . 0.0 111.2 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.557 ' H ' ' CD ' ' B' ' 3' ' ' GLU . 1.4 mp0 -50.08 -20.56 1.0 Allowed 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.72 178.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.709 ' CD1' HG22 ' A' ' 10' ' ' THR . 1.3 mm? -59.89 -40.58 89.21 Favored 'General case' 0 N--CA 1.436 -1.131 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 178.293 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.434 ' HG2' ' HD2' ' A' ' 44' ' ' PHE . 94.2 mt-10 -60.64 -43.57 97.39 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 120.169 -0.613 . . . . 0.0 109.639 176.514 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 8.2 m -61.72 -45.33 94.42 Favored 'General case' 0 N--CA 1.445 -0.724 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 175.267 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.26 -44.01 97.94 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.559 177.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . 0.964 ' SD ' HD11 ' A' ' 11' ' ' LEU . 96.5 mmm -63.6 -42.61 98.23 Favored 'General case' 0 CA--C 1.514 -0.414 0 C-N-CA 120.467 -0.493 . . . . 0.0 110.477 177.452 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -68.14 -27.4 66.4 Favored 'General case' 0 N--CA 1.442 -0.852 0 C-N-CA 119.098 -1.041 . . . . 0.0 111.837 175.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 10.4 m -57.81 -43.03 85.45 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 174.186 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.839 ' CD2' HD13 ' A' ' 4' ' ' LEU . 96.9 mt -63.13 -40.35 97.33 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 174.29 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.774 HD12 ' HZ2' ' A' ' 90' ' ' TRP . 22.4 mm -63.1 -43.81 99.15 Favored 'Isoleucine or valine' 0 C--O 1.239 0.534 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 -179.495 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 47.5 m-80 -61.66 -44.63 96.59 Favored 'General case' 0 CA--C 1.506 -0.742 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.625 -175.579 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.456 HG11 HD21 ' A' ' 4' ' ' LEU . 26.8 m -66.26 -39.37 84.07 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.047 0 CA-C-O 121.192 0.52 . . . . 0.0 109.926 175.437 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -59.04 -48.79 80.3 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.172 178.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 -64.63 -40.71 95.96 Favored 'General case' 0 CA--C 1.499 -1.006 0 N-CA-C 112.011 0.375 . . . . 0.0 112.011 175.255 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.19 -49.82 65.91 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 179.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.571 ' CD2' HD22 ' B' ' 36' ' ' LEU . 96.8 m-70 -71.67 -36.28 70.59 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.428 -0.806 . . . . 0.0 112.348 177.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.511 ' HA ' ' O ' ' B' ' 27' ' ' LYS . 67.6 m -52.76 -37.64 59.78 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-O 121.284 0.564 . . . . 0.0 110.457 178.195 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.77 -25.99 59.67 Favored Glycine 0 N--CA 1.443 -0.852 0 CA-C-N 115.538 -0.756 . . . . 0.0 111.233 179.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.453 ' HG3' ' CD ' ' B' ' 32' ' ' GLU . 34.2 mmtp -66.63 -47.17 73.44 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-O 120.701 0.286 . . . . 0.0 110.49 -176.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.458 ' OE1' ' N ' ' B' ' 29' ' ' SER . 3.6 pt-20 -88.65 -37.91 15.22 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.639 178.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.91 21.97 64.72 Favored Glycine 0 CA--C 1.529 0.93 0 CA-C-N 116.101 -0.499 . . . . 0.0 113.428 173.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 39.2 t70 -58.96 -47.76 83.95 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 177.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.537 ' CG ' ' H ' ' B' ' 26' ' ' TYR . 0.0 OUTLIER 160.59 -67.46 0.0 OUTLIER 'General case' 0 CA--C 1.508 -0.67 0 C-N-CA 125.191 1.396 . . . . 0.0 109.282 172.499 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.537 ' H ' ' CG ' ' B' ' 25' ' ' LYS . 0.3 OUTLIER -132.05 94.49 3.48 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 166.179 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.511 ' O ' ' HA ' ' B' ' 19' ' ' SER . 6.3 mmtp -153.49 158.39 41.27 Favored 'General case' 0 CA--C 1.467 -2.241 0 CA-C-N 115.1 -0.954 . . . . 0.0 110.363 -175.608 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.609 ' O ' HG13 ' B' ' 69' ' ' VAL . 46.2 tp -125.47 117.31 23.36 Favored 'General case' 0 N--CA 1.406 -2.638 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 166.705 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.458 ' N ' ' OE1' ' B' ' 22' ' ' GLU . 11.5 p -82.31 164.58 21.02 Favored 'General case' 0 C--N 1.297 -1.687 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.41 -178.082 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.685 ' NZ ' ' HA ' ' B' ' 62' ' ' ASP . 10.5 mmmm -71.62 -5.94 37.21 Favored 'General case' 0 C--N 1.314 -0.937 0 C-N-CA 120.075 -0.65 . . . . 0.0 110.171 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.407 ' H ' ' HG3' ' B' ' 31' ' ' LYS . 33.6 mttm -65.51 -70.77 0.22 Allowed 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 176.456 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.465 ' HB3' ' ND1' ' B' ' 18' ' ' HIS . 46.9 mm-40 -69.7 -35.82 75.41 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.612 -1.176 . . . . 0.0 111.633 -178.004 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.751 HD21 HD23 ' B' ' 77' ' ' LEU . 1.5 tm? -57.07 -46.26 82.62 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.948 -170.149 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.656 ' HZ3' ' HB2' ' B' ' 34' ' ' LYS . 14.7 mtmm -64.87 -46.7 80.72 Favored 'General case' 0 C--N 1.312 -1.024 0 C-N-CA 119.878 -0.729 . . . . 0.0 109.737 -178.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -69.47 -44.78 70.5 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.946 -178.037 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.571 HD22 ' CD2' ' B' ' 18' ' ' HIS . 0.1 OUTLIER -64.16 -43.63 94.57 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.781 -0.367 . . . . 0.0 111.232 179.109 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.673 HD21 HD12 ' B' ' 81' ' ' LEU . 2.5 tm? -62.22 -47.18 85.55 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.736 -177.578 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -65.56 -41.44 92.96 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 119.676 -0.81 . . . . 0.0 109.959 176.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 98.9 m -65.0 -53.71 41.81 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.612 -178.058 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.51 ' HB3' ' HB2' ' A' ' 4' ' ' LEU . 79.2 mm-40 -69.41 -38.64 78.03 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 111.847 0.314 . . . . 0.0 111.847 -177.582 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.519 HD22 HD21 ' B' ' 37' ' ' LEU . 10.9 mp -97.04 36.88 1.37 Allowed 'General case' 0 C--N 1.315 -0.895 0 C-N-CA 120.866 -0.334 . . . . 0.0 110.297 179.653 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 58.2 m -55.98 -44.41 78.51 Favored 'General case' 0 C--O 1.24 0.6 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.286 -176.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -66.68 -46.77 72.89 Favored Glycine 0 C--O 1.242 0.637 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 177.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.526 ' CE2' HG23 ' B' ' 82' ' ' THR . 5.6 m-30 -62.74 -43.51 98.62 Favored 'General case' 0 CA--C 1.51 -0.564 0 CA-C-O 121.046 0.45 . . . . 0.0 110.05 177.041 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.546 ' O ' HD12 ' B' ' 45' ' ' LEU . 2.9 tp -60.03 -47.21 86.77 Favored 'General case' 0 C--N 1.309 -1.165 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.354 179.389 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.514 ' O ' ' NZ ' ' B' ' 49' ' ' LYS . 32.1 t70 -65.62 -39.19 91.22 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.932 178.757 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . 0.585 ' CB ' ' SD ' ' B' ' 85' ' ' MET . . . -62.63 -38.68 91.21 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 -173.513 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.433 ' OE1' ' HB ' ' B' ' 54' ' ' VAL . 1.0 OUTLIER -124.29 43.87 2.89 Favored 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 120.896 -0.322 . . . . 0.0 111.714 -175.072 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.514 ' NZ ' ' O ' ' B' ' 46' ' ' ASP . 39.1 mtmm -62.79 -40.09 96.27 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 176.189 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -63.56 -30.02 71.2 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.42 -1.263 . . . . 0.0 113.262 -178.113 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . 0.581 ' C ' ' H ' ' B' ' 53' ' ' ALA . 12.2 t -62.27 -24.01 33.66 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 C-N-CA 120.399 -0.521 . . . . 0.0 110.742 -174.34 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.52 ' OD2' ' NZ ' ' B' ' 56' ' ' LYS . 0.3 OUTLIER 69.16 -17.65 0.21 Allowed 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 121.127 0.489 . . . . 0.0 110.036 -177.385 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.666 ' O ' HG23 ' B' ' 57' ' ' VAL . . . -61.34 -37.62 83.98 Favored 'General case' 0 C--O 1.21 -1.0 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 177.476 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.643 ' HA ' HD21 ' B' ' 81' ' ' LEU . 7.2 p -59.34 -44.42 92.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 178.078 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.444 ' O ' ' HG2' ' B' ' 58' ' ' MET . 30.6 t70 -60.59 -49.67 76.6 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.977 0.894 . . . . 0.0 109.575 176.117 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . 0.52 ' NZ ' ' OD2' ' B' ' 52' ' ' ASP . 33.5 mttp -65.98 -40.35 91.15 Favored 'General case' 0 C--N 1.303 -1.426 0 CA-C-N 114.839 -1.073 . . . . 0.0 112.241 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.88 HG12 HD12 ' B' ' 77' ' ' LEU . 75.4 t -63.6 -47.45 91.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 179.171 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . 0.444 ' HG2' ' O ' ' B' ' 55' ' ' ASP . 26.4 ptt? -62.63 -39.47 93.91 Favored 'General case' 0 CA--C 1.513 -0.472 0 C-N-CA 120.064 -0.654 . . . . 0.0 109.353 175.514 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' B' ' 63' ' ' GLU . 63.9 tttp -58.77 -46.36 87.68 Favored 'General case' 0 N--CA 1.441 -0.91 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.261 171.647 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . 0.486 ' N ' ' O ' ' B' ' 56' ' ' LYS . 3.0 mm-40 -53.13 -41.33 64.96 Favored 'General case' 0 C--N 1.314 -0.966 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 -179.536 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.602 HD23 HD13 ' B' ' 77' ' ' LEU . 3.3 mm? -64.45 -38.06 89.69 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.586 172.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.685 ' HA ' ' NZ ' ' B' ' 30' ' ' LYS . 50.5 m-20 -67.31 -35.33 79.23 Favored 'General case' 0 C--O 1.242 0.706 0 O-C-N 121.596 -0.69 . . . . 0.0 111.287 174.439 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' B' ' 59' ' ' LYS . 67.2 mm-40 -62.41 -58.67 6.8 Favored 'General case' 0 N--CA 1.448 -0.545 0 O-C-N 123.568 0.542 . . . . 0.0 110.259 175.307 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . 0.446 ' C ' ' H ' ' B' ' 66' ' ' ASP . 6.0 t-20 -74.18 -47.81 33.23 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 121.343 0.592 . . . . 0.0 111.419 179.436 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.579 ' N ' ' O ' ' B' ' 61' ' ' LEU . . . -73.99 43.78 1.24 Allowed Glycine 0 CA--C 1.494 -1.266 0 N-CA-C 110.038 -1.225 . . . . 0.0 110.038 -178.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.446 ' H ' ' C ' ' B' ' 64' ' ' ASN . 6.4 t70 -62.66 -36.03 81.56 Favored 'General case' 0 CA--C 1.509 -0.633 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 178.647 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -104.71 -72.77 0.88 Allowed Glycine 0 N--CA 1.449 -0.442 0 CA-C-N 114.52 -1.218 . . . . 0.0 110.891 179.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.45 ' OE1' ' NZ ' ' B' ' 27' ' ' LYS . 94.4 mt-10 -143.08 156.09 44.74 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 123.216 0.607 . . . . 0.0 111.218 -178.06 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.92 HG23 ' CB ' ' B' ' 73' ' ' GLU . 0.8 OUTLIER -123.62 129.04 74.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.447 176.109 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -92.7 -170.03 2.35 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-O 121.229 0.537 . . . . 0.0 110.141 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.644 ' O ' HG22 ' B' ' 75' ' ' VAL . 68.9 t80 -61.29 -45.22 95.39 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.219 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.7 ' HG3' HG11 ' A' ' 83' ' ' VAL . 33.9 mt-30 -61.34 -40.73 95.32 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.573 179.163 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.92 ' CB ' HG23 ' B' ' 69' ' ' VAL . 62.4 mm-40 -70.6 -39.96 73.5 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 121.166 0.508 . . . . 0.0 110.447 173.731 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . 0.522 ' OH ' HD11 ' A' ' 4' ' ' LEU . 26.6 t80 -61.52 -48.06 82.75 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.895 -0.593 . . . . 0.0 112.592 179.356 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.736 HG21 ' CB ' ' A' ' 79' ' ' ALA . 16.1 m -63.96 -41.21 91.77 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 N-CA-C 112.989 0.737 . . . . 0.0 112.989 -177.141 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.446 HG12 ' O ' ' B' ' 73' ' ' GLU . 12.9 p -62.86 -34.75 67.73 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.425 0 C-N-CA 120.078 -0.649 . . . . 0.0 110.966 -179.025 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.88 HD12 HG12 ' B' ' 57' ' ' VAL . 55.1 tp -61.73 -48.61 79.94 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.088 178.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.654 HG12 HD23 ' B' ' 37' ' ' LEU . 28.4 m -70.59 -39.72 76.35 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 C-N-CA 120.299 -0.561 . . . . 0.0 110.661 177.266 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.946 ' CB ' HG21 ' A' ' 75' ' ' VAL . . . -62.3 -45.83 91.49 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.408 179.409 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.88 -44.25 91.07 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.673 HD12 HD21 ' B' ' 37' ' ' LEU . 94.8 mt -64.5 -41.95 96.12 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.351 175.267 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.674 HG21 ' HB3' ' A' ' 8' ' ' MET . 21.6 m -62.28 -50.31 72.2 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.886 -179.156 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.497 HG12 ' O ' ' B' ' 79' ' ' ALA . 7.4 p -62.35 -45.24 99.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 C-N-CA 119.663 -0.815 . . . . 0.0 110.296 179.219 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -58.08 -52.46 65.43 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.52 177.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 85' ' ' MET . . . . . 0.585 ' SD ' ' CB ' ' B' ' 47' ' ' ALA . 0.0 OUTLIER -68.46 -47.57 66.8 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.149 -0.621 . . . . 0.0 112.259 179.445 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.595 ' OD1' ' NE1' ' B' ' 90' ' ' TRP . 1.6 t-20 -64.72 -34.39 78.21 Favored 'General case' 0 C--N 1.317 -0.836 0 C-N-CA 119.644 -0.822 . . . . 0.0 110.226 -175.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . 0.626 ' HA ' ' CE3' ' B' ' 90' ' ' TRP . 0.2 OUTLIER -56.36 -38.06 70.9 Favored 'General case' 0 C--O 1.239 0.518 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 176.284 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.528 ' O ' ' N ' ' B' ' 92' ' ' ASN . 90.2 t80 -58.54 -44.71 89.69 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.891 176.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 40.7 m-85 -59.29 -41.03 88.0 Favored 'General case' 0 C--N 1.318 -0.802 0 C-N-CA 119.647 -0.821 . . . . 0.0 111.177 177.316 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . 0.626 ' CE3' ' HA ' ' B' ' 87' ' ' ASN . 3.4 m0 -67.17 -45.67 76.31 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.884 0.373 . . . . 0.0 110.081 -179.126 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . 0.495 ' OE2' ' NZ ' ' A' ' 25' ' ' LYS . 61.8 mt-10 -107.16 6.65 28.96 Favored 'General case' 0 C--O 1.241 0.607 0 N-CA-C 114.706 1.373 . . . . 0.0 114.706 -171.461 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . 0.528 ' N ' ' O ' ' B' ' 88' ' ' PHE . 35.3 t30 -62.75 116.23 5.03 Favored 'General case' 0 C--O 1.245 0.841 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 177.444 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 59.6 m . . . . . 0 C--O 1.203 -1.382 0 CA-C-O 118.17 -0.919 . . . . 0.0 109.159 -176.488 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.751 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.27 177.48 0.83 Allowed 'General case' 0 C--O 1.244 0.802 0 CA-C-O 120.743 0.306 . . . . 0.0 111.128 -179.474 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 7' ' ' ALA . 42.5 mp0 -57.89 -40.9 81.38 Favored 'General case' 0 CA--C 1.508 -0.67 0 C-N-CA 120.639 -0.424 . . . . 0.0 110.364 177.282 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.938 ' CD1' HD23 ' B' ' 11' ' ' LEU . 0.6 OUTLIER -61.2 -42.18 98.14 Favored 'General case' 0 C--N 1.312 -1.044 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 -179.745 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.481 ' CG ' ' HA ' ' B' ' 41' ' ' LEU . 46.6 mt-10 -64.21 -42.33 96.66 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 175.526 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.3 m -61.58 -44.89 96.18 Favored 'General case' 0 C--O 1.244 0.803 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.576 177.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 3' ' ' GLU . . . -58.32 -47.43 83.74 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.718 178.408 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.525 ' HE1' ' HB2' ' B' ' 79' ' ' ALA . 93.7 mmm -65.07 -41.32 95.19 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.392 179.252 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -61.88 -35.72 79.15 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.941 176.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 16.5 m -59.97 -43.68 94.92 Favored 'General case' 0 C--N 1.314 -0.956 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 177.122 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.725 HD11 ' SD ' ' B' ' 8' ' ' MET . 89.1 mt -63.21 -39.55 94.95 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.536 175.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.453 HD13 ' CE1' ' A' ' 71' ' ' PHE . 22.1 mm -61.97 -43.38 97.48 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 -179.244 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 70.9 m-20 -60.28 -42.07 94.67 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 -179.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.537 HG11 HD11 ' A' ' 36' ' ' LEU . 85.7 t -63.09 -45.49 98.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.678 176.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -58.83 -46.04 88.59 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.646 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.524 ' NE2' ' CD1' ' B' ' 90' ' ' TRP . 9.6 m-70 -56.99 -46.36 82.3 Favored 'General case' 0 CA--C 1.511 -0.555 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.354 177.565 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.522 ' O ' ' HG2' ' A' ' 21' ' ' LYS . . . -57.29 -51.91 67.47 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.137 -175.048 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.558 ' CD2' HD13 ' A' ' 36' ' ' LEU . 92.0 m-70 -68.42 -37.16 80.05 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.854 -179.471 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 40.2 m -53.75 -41.84 67.54 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 178.007 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.99 -39.77 96.68 Favored Glycine 0 N--CA 1.445 -0.747 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.945 176.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.522 ' HG2' ' O ' ' A' ' 17' ' ' ALA . 33.3 mmtm -64.3 -45.24 88.82 Favored 'General case' 0 CA--C 1.507 -0.674 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.416 -175.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.06 -41.21 67.68 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 120.145 -0.622 . . . . 0.0 111.623 -179.104 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 136.22 -8.63 4.1 Favored Glycine 0 CA--C 1.523 0.592 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.961 175.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -80.61 149.84 29.72 Favored 'General case' 0 CA--C 1.508 -0.659 0 CA-C-N 117.501 0.651 . . . . 0.0 111.06 -178.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.512 ' HD2' ' CE2' ' A' ' 26' ' ' TYR . 47.3 pttt -64.66 -39.55 93.88 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 172.284 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.512 ' CE2' ' HD2' ' A' ' 25' ' ' LYS . 5.3 p90 -162.64 92.25 0.78 Allowed 'General case' 0 C--O 1.238 0.471 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.21 170.193 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.436 ' HD2' ' HA ' ' A' ' 27' ' ' LYS . 10.2 mmmm -163.66 162.95 24.43 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 106.076 -1.824 . . . . 0.0 106.076 170.724 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.472 ' HB3' ' O ' ' A' ' 69' ' ' VAL . 44.4 tp -124.04 129.15 50.42 Favored 'General case' 0 C--N 1.308 -1.222 0 C-N-CA 119.988 -0.685 . . . . 0.0 110.183 178.086 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.7 p -81.47 163.72 22.54 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.97 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.475 ' NZ ' ' HA ' ' A' ' 62' ' ' ASP . 7.4 mmmm -75.85 -4.2 39.43 Favored 'General case' 0 C--N 1.314 -0.953 0 C-N-CA 120.117 -0.633 . . . . 0.0 109.883 176.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 39.3 mttm -74.62 -63.23 1.29 Allowed 'General case' 0 CA--C 1.52 -0.207 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 177.089 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 36' ' ' LEU . 75.4 mm-40 -67.11 -37.57 84.13 Favored 'General case' 0 N--CA 1.442 -0.834 0 CA-C-N 114.033 -1.44 . . . . 0.0 111.751 -177.12 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.744 HD11 ' CD2' ' A' ' 77' ' ' LEU . 2.7 tm? -58.68 -43.34 89.93 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.499 -0.48 . . . . 0.0 110.154 -175.388 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.506 ' NZ ' ' OD2' ' A' ' 62' ' ' ASP . 62.7 mttp -62.7 -46.85 86.21 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 119.874 -0.73 . . . . 0.0 109.691 179.064 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 66.4 tt0 -65.43 -44.38 87.52 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.624 178.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.692 HD21 ' CE1' ' A' ' 74' ' ' TYR . 17.2 tp -60.83 -48.79 80.22 Favored 'General case' 0 C--N 1.298 -1.655 0 CA-C-N 114.808 -1.087 . . . . 0.0 111.903 178.069 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.658 HD23 HG12 ' A' ' 78' ' ' VAL . 2.7 tm? -63.58 -45.65 89.42 Favored 'General case' 0 C--N 1.306 -1.283 0 C-N-CA 120.452 -0.499 . . . . 0.0 110.692 -177.122 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -68.53 -41.42 79.9 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.159 -0.616 . . . . 0.0 110.889 176.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 73.9 m -61.9 -51.12 69.47 Favored 'General case' 0 N--CA 1.442 -0.841 0 CA-C-N 115.902 -0.59 . . . . 0.0 112.024 -178.289 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -83.92 -35.77 23.81 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 113.116 0.784 . . . . 0.0 113.116 -174.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.41 ' HB2' HD22 ' A' ' 37' ' ' LEU . 10.4 mp -105.65 37.7 2.17 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-O 120.579 0.228 . . . . 0.0 111.279 -178.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.4 m -56.1 -39.22 71.82 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 -178.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.695 ' H ' ' H1 ' ' B' ' 1' ' ' GLY . . . -62.05 -50.21 67.69 Favored Glycine 0 CA--C 1.52 0.389 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.747 178.042 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.472 ' CZ ' HG23 ' A' ' 82' ' ' THR . 33.1 m-85 -67.88 -42.24 81.52 Favored 'General case' 0 CA--C 1.499 -0.981 0 CA-C-O 121.457 0.646 . . . . 0.0 109.961 177.472 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 49.1 tp -63.06 -48.34 79.08 Favored 'General case' 0 N--CA 1.432 -1.332 0 CA-C-N 115.127 -0.942 . . . . 0.0 111.593 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -70.86 -41.31 71.57 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -178.264 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.948 ' HB3' ' SD ' ' A' ' 85' ' ' MET . . . -56.08 -44.56 79.1 Favored 'General case' 0 CA--C 1.509 -0.607 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.364 -175.624 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.463 ' CB ' HG21 ' A' ' 51' ' ' VAL . 1.7 pp0? -120.09 52.22 1.15 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.236 0.541 . . . . 0.0 110.295 176.206 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.2 ttmm -59.65 -41.63 90.98 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.202 -175.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.415 ' C ' ' H ' ' A' ' 52' ' ' ASP . 39.0 t70 -111.57 17.21 20.21 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 -173.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.583 HG12 ' O ' ' A' ' 51' ' ' VAL . 35.3 t -74.42 21.37 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 N-CA-C 111.79 0.293 . . . . 0.0 111.79 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.529 ' OD1' ' NZ ' ' A' ' 56' ' ' LYS . 40.9 t0 59.39 -47.67 0.07 Allowed 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 112.788 0.662 . . . . 0.0 112.788 174.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.542 ' N ' ' O ' ' A' ' 51' ' ' VAL . . . -58.48 -36.54 73.9 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.808 0.337 . . . . 0.0 110.428 -178.559 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.433 HG13 ' N ' ' A' ' 55' ' ' ASP . 7.3 p -58.8 -47.72 88.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.361 179.525 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.593 ' O ' ' N ' ' A' ' 59' ' ' LYS . 25.4 t70 -59.44 -48.83 80.14 Favored 'General case' 0 CA--C 1.495 -1.151 0 CA-C-O 121.132 0.491 . . . . 0.0 109.684 176.284 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.529 ' NZ ' ' OD1' ' A' ' 52' ' ' ASP . 37.0 mttp -62.68 -41.77 99.28 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.822 -176.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.554 HG12 HD12 ' A' ' 77' ' ' LEU . 98.5 t -62.1 -45.68 98.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 174.253 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 14.4 mmm -61.92 -40.06 94.17 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-O 121.564 0.697 . . . . 0.0 109.251 175.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.593 ' N ' ' O ' ' A' ' 55' ' ' ASP . 0.1 OUTLIER -61.07 -46.91 88.76 Favored 'General case' 0 N--CA 1.431 -1.408 0 CA-C-N 114.706 -1.134 . . . . 0.0 109.306 -176.498 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -62.04 -40.01 94.27 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.166 179.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.725 ' HG ' HD13 ' A' ' 77' ' ' LEU . 3.3 mm? -61.7 -39.82 92.83 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.293 -0.563 . . . . 0.0 110.176 176.357 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.506 ' OD2' ' NZ ' ' A' ' 34' ' ' LYS 0.416 5.0 m-20 -85.23 -11.05 55.78 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 115.446 1.647 . . . . 0.0 115.446 176.604 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.49 ' HG3' ' O ' ' A' ' 59' ' ' LYS . 97.7 mt-10 -64.36 -36.64 84.81 Favored 'General case' 0 CA--C 1.501 -0.934 0 N-CA-C 105.459 -2.052 . . . . 0.0 105.459 163.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -79.52 37.52 0.34 Allowed 'General case' 0 N--CA 1.441 -0.914 0 CA-C-N 113.541 -1.663 . . . . 0.0 108.769 167.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.466 ' H ' ' C ' ' A' ' 63' ' ' GLU . . . -91.95 18.37 53.72 Favored Glycine 0 CA--C 1.506 -0.527 0 N-CA-C 108.362 -1.895 . . . . 0.0 108.362 178.281 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -60.22 -43.24 96.17 Favored 'General case' 0 N--CA 1.436 -1.16 0 CA-C-N 114.255 -0.973 . . . . 0.0 110.835 -177.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -156.1 -82.73 0.04 OUTLIER Glycine 0 C--N 1.319 -0.363 0 N-CA-C 111.508 -0.637 . . . . 0.0 111.508 179.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -121.09 164.84 16.19 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.567 0.222 . . . . 0.0 111.031 -177.122 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.692 HG23 ' CB ' ' A' ' 73' ' ' GLU . 1.6 p -120.67 129.08 76.01 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 N-CA-C 107.685 -1.228 . . . . 0.0 107.685 170.174 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.594 ' CG ' ' N ' ' A' ' 71' ' ' PHE . 1.0 OUTLIER -95.11 -179.54 4.85 Favored 'General case' 0 C--N 1.313 -1.019 0 C-N-CA 120.659 -0.417 . . . . 0.0 110.568 -175.913 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.594 ' N ' ' CG ' ' A' ' 70' ' ' ASP . 66.0 t80 -58.39 -42.83 87.97 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 -176.659 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -59.27 -44.05 92.45 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.488 -179.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.692 ' CB ' HG23 ' A' ' 69' ' ' VAL . 56.5 mp0 -69.62 -39.15 77.36 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.287 0.565 . . . . 0.0 109.993 176.325 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.692 ' CE1' HD21 ' A' ' 36' ' ' LEU . 22.5 t80 -60.73 -49.75 76.23 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.832 177.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.92 HG21 ' CB ' ' B' ' 79' ' ' ALA . 24.9 m -63.94 -43.32 97.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 C-N-CA 120.13 -0.628 . . . . 0.0 112.058 -179.058 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 14.7 p -64.87 -38.3 82.39 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 C-N-CA 120.348 -0.541 . . . . 0.0 110.689 -179.141 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.744 ' CD2' HD11 ' A' ' 33' ' ' LEU . 49.4 tp -60.86 -49.7 76.42 Favored 'General case' 0 CA--C 1.508 -0.662 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.809 179.376 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.658 HG12 HD23 ' A' ' 37' ' ' LEU . 22.0 m -66.52 -42.1 89.56 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.04 0 C-N-CA 119.604 -0.839 . . . . 0.0 110.121 177.633 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.927 ' CB ' HG21 ' B' ' 75' ' ' VAL . . . -62.77 -42.82 99.86 Favored 'General case' 0 CA--C 1.51 -0.585 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.149 179.045 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.02 -48.77 77.69 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-O 121.369 0.604 . . . . 0.0 109.841 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 87.8 mt -62.69 -40.87 98.47 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.498 -0.773 . . . . 0.0 109.159 176.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.481 ' O ' ' HB2' ' A' ' 86' ' ' ASN . 17.3 m -62.24 -51.53 67.4 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.284 179.305 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.672 HG11 ' HG3' ' B' ' 72' ' ' GLN . 5.1 p -63.17 -43.41 98.82 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.373 0 C-N-CA 119.896 -0.722 . . . . 0.0 111.226 178.654 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.0 -52.5 65.0 Favored 'General case' 0 N--CA 1.446 -0.65 0 C-N-CA 120.15 -0.62 . . . . 0.0 110.585 178.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.948 ' SD ' ' HB3' ' A' ' 47' ' ' ALA . 15.8 ttp -75.61 -42.37 51.98 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 119.816 -0.754 . . . . 0.0 111.459 -179.041 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.6 ' OD1' ' NE1' ' A' ' 90' ' ' TRP . 2.1 t-20 -63.46 -34.0 76.8 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 -178.559 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.692 ' HA ' ' CD2' ' A' ' 90' ' ' TRP . 16.4 t-20 -57.45 -38.08 73.89 Favored 'General case' 0 CA--C 1.513 -0.45 0 C-N-CA 120.424 -0.51 . . . . 0.0 109.645 175.123 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.599 ' O ' ' N ' ' A' ' 92' ' ' ASN . 90.1 t80 -59.02 -42.95 91.41 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 172.302 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.518 ' HB2' ' O ' ' A' ' 86' ' ' ASN . 20.0 m-30 -58.81 -42.92 90.28 Favored 'General case' 0 C--O 1.232 0.181 0 C-N-CA 120.282 -0.567 . . . . 0.0 109.495 174.398 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.707 ' HZ2' HD12 ' B' ' 12' ' ' ILE . 20.2 m0 -62.84 -50.25 71.69 Favored 'General case' 0 CA--C 1.501 -0.933 0 CA-C-O 121.486 0.66 . . . . 0.0 109.512 179.605 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -70.54 -29.41 65.87 Favored 'General case' 0 C--N 1.3 -1.567 0 CA-C-N 114.926 -1.034 . . . . 0.0 112.358 179.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.599 ' N ' ' O ' ' A' ' 88' ' ' PHE . 59.3 t-20 -37.83 121.65 0.93 Allowed 'General case' 0 CA--C 1.507 -0.701 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.466 -173.71 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 60.8 m . . . . . 0 C--O 1.203 -1.364 0 CA-C-N 114.929 -1.032 . . . . 0.0 109.97 -172.414 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . 0.695 ' H1 ' ' H ' ' A' ' 43' ' ' GLY . . . . . . . . 0 CA--C 1.521 0.423 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . 0.444 ' H ' ' H2 ' ' B' ' 1' ' ' GLY . 18.1 m -93.01 174.95 6.97 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.794 0.331 . . . . 0.0 111.404 -179.293 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.4 ' H ' ' CD ' ' B' ' 3' ' ' GLU . 45.5 mp0 -55.86 -23.03 28.43 Favored 'General case' 0 CA--C 1.513 -0.465 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 175.55 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.69 HD12 HD23 ' A' ' 11' ' ' LEU . 2.9 mm? -61.32 -39.86 92.08 Favored 'General case' 0 N--CA 1.438 -1.033 0 CA-C-N 115.327 -0.851 . . . . 0.0 108.806 -178.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -61.68 -41.06 97.05 Favored 'General case' 0 N--CA 1.446 -0.673 0 C-N-CA 119.869 -0.732 . . . . 0.0 109.308 175.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 8.4 m -62.8 -45.8 90.93 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.135 0.493 . . . . 0.0 109.826 174.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.95 -47.47 82.82 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.53 -0.545 . . . . 0.0 109.53 177.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . 0.725 ' SD ' HD11 ' A' ' 11' ' ' LEU . 97.7 mmm -63.93 -41.87 97.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.326 177.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 72.6 mt-10 -66.73 -34.54 78.07 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 120.64 -0.424 . . . . 0.0 111.502 177.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.433 ' O ' HG23 ' B' ' 14' ' ' VAL . 9.0 m -58.29 -43.19 87.92 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 175.148 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.938 HD23 ' CD1' ' A' ' 4' ' ' LEU . 67.7 mt -61.85 -42.06 98.59 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.687 175.247 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.707 HD12 ' HZ2' ' A' ' 90' ' ' TRP . 21.1 mm -63.08 -44.16 99.38 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 CA-C-O 121.133 0.492 . . . . 0.0 109.789 -178.537 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 51.3 m-80 -62.41 -41.61 98.81 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.698 -175.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.649 HG21 HD21 ' A' ' 4' ' ' LEU . 97.7 t -62.94 -44.22 99.49 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 176.703 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -57.38 -46.87 82.94 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 178.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -59.96 -45.3 93.12 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.231 175.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.51 ' O ' ' HG2' ' B' ' 21' ' ' LYS . . . -53.46 -34.42 57.86 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.009 -178.619 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 86.8 m-70 -88.41 -36.49 16.5 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 178.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 73.4 m -57.68 -42.54 83.85 Favored 'General case' 0 C--O 1.239 0.548 0 C-N-CA 120.267 -0.573 . . . . 0.0 110.131 179.487 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.48 -40.28 92.02 Favored Glycine 0 N--CA 1.446 -0.634 0 N-CA-C 109.454 -1.458 . . . . 0.0 109.454 177.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.51 ' HG2' ' O ' ' B' ' 17' ' ' ALA . 11.4 mmtp -71.62 -48.32 48.71 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.101 0.477 . . . . 0.0 109.839 178.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.403 ' HB2' ' OG ' ' B' ' 29' ' ' SER . 0.2 OUTLIER -66.21 -46.14 78.29 Favored 'General case' 0 C--O 1.238 0.481 0 N-CA-C 114.108 1.151 . . . . 0.0 114.108 -171.357 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 162.86 -69.53 0.22 Allowed Glycine 0 C--O 1.238 0.381 0 C-N-CA 119.292 -1.432 . . . . 0.0 112.883 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.433 ' HB3' ' HB2' ' B' ' 27' ' ' LYS . 38.8 t70 -71.14 161.18 31.55 Favored 'General case' 0 CA--C 1.509 -0.625 0 CA-C-O 121.366 0.603 . . . . 0.0 112.14 -175.775 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.475 ' H ' ' HG2' ' B' ' 25' ' ' LYS . 7.0 pttm -55.52 -40.15 71.43 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 114.718 -1.128 . . . . 0.0 108.962 175.491 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.483 ' CG ' ' CE3' ' A' ' 90' ' ' TRP . 1.7 p90 -148.95 93.63 2.13 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.244 172.41 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.433 ' HB2' ' HB3' ' B' ' 24' ' ' ASP . 7.2 mmmm -159.51 158.83 32.6 Favored 'General case' 0 CA--C 1.49 -1.329 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 171.291 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.423 HD11 ' HB2' ' B' ' 32' ' ' GLU . 52.1 tp -125.45 126.44 44.93 Favored 'General case' 0 C--N 1.3 -1.577 0 C-N-CA 120.169 -0.612 . . . . 0.0 109.415 173.331 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.403 ' OG ' ' HB2' ' B' ' 22' ' ' GLU . 6.0 p -88.64 161.36 16.92 Favored 'General case' 0 N--CA 1.433 -1.276 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 171.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.749 ' NZ ' ' HA ' ' B' ' 62' ' ' ASP . 11.3 mmmm -69.34 -4.54 18.63 Favored 'General case' 0 C--N 1.3 -1.569 0 C-N-CA 120.284 -0.567 . . . . 0.0 110.352 -178.282 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 54.2 mttm -61.55 -47.14 86.91 Favored 'General case' 0 CA--C 1.508 -0.636 0 CA-C-N 114.916 -1.038 . . . . 0.0 109.164 -177.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.472 ' O ' ' N ' ' B' ' 36' ' ' LEU . 4.5 mt-10 -101.54 -22.14 14.57 Favored 'General case' 0 C--O 1.213 -0.857 0 CA-C-N 114.853 -1.067 . . . . 0.0 110.969 -175.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.711 HD11 ' CD2' ' B' ' 77' ' ' LEU . 2.8 tm? -57.39 -42.53 82.4 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 -177.738 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -62.49 -45.33 93.52 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 119.699 -0.8 . . . . 0.0 110.104 178.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.402 ' O ' ' OG1' ' B' ' 39' ' ' THR . 99.7 mt-10 -68.25 -43.98 76.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.811 0.815 . . . . 0.0 109.849 177.769 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.519 HD21 ' CE1' ' B' ' 74' ' ' TYR . 22.3 tp -61.08 -48.15 83.02 Favored 'General case' 0 C--N 1.304 -1.398 0 CA-C-N 114.643 -1.162 . . . . 0.0 111.966 179.151 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.768 HD11 HD11 ' B' ' 81' ' ' LEU . 0.1 OUTLIER -62.37 -47.67 83.16 Favored 'General case' 0 C--N 1.316 -0.859 0 C-N-CA 120.163 -0.615 . . . . 0.0 110.343 -176.735 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.736 ' HB2' HD22 ' B' ' 45' ' ' LEU . 15.7 pt20 -64.88 -43.45 92.9 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.298 -0.561 . . . . 0.0 110.996 176.579 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 70.8 m -62.73 -53.16 58.62 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.617 -177.028 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.426 ' HG3' HG11 ' B' ' 14' ' ' VAL . 68.3 mm-40 -73.82 -39.25 64.21 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 -176.737 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.481 ' HA ' ' CG ' ' A' ' 5' ' ' GLU . 10.8 mp -92.6 44.89 1.17 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.83 0.348 . . . . 0.0 110.49 176.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 51.6 m -53.61 -44.22 69.27 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.819 -175.389 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -66.76 -50.36 48.57 Favored Glycine 0 C--O 1.242 0.644 0 C-N-CA 120.649 -0.786 . . . . 0.0 111.298 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.639 ' HD1' ' SD ' ' B' ' 85' ' ' MET . 79.8 m-85 -66.42 -41.36 89.35 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-O 121.275 0.56 . . . . 0.0 110.118 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.736 HD22 ' HB2' ' B' ' 38' ' ' GLN . 2.0 tp -48.0 -51.36 24.23 Favored 'General case' 0 CA--C 1.504 -0.794 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.852 -179.515 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -62.69 -42.37 99.6 Favored 'General case' 0 C--N 1.3 -1.553 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.923 -177.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . 0.599 ' HB3' ' SD ' ' B' ' 85' ' ' MET . . . -70.9 -41.15 71.67 Favored 'General case' 0 C--N 1.313 -0.993 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -175.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.585 ' NE2' ' HA ' ' B' ' 45' ' ' LEU . 1.7 mt-30 -71.15 -16.51 62.54 Favored 'General case' 0 C--N 1.313 -0.987 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -171.474 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -58.19 -40.68 82.15 Favored 'General case' 0 CA--C 1.5 -0.972 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 -176.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -66.4 -30.84 71.3 Favored 'General case' 0 C--N 1.309 -1.195 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.598 178.093 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 54.6 t -69.2 -41.56 81.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.773 -178.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.462 ' OD2' ' NZ ' ' B' ' 56' ' ' LYS . 0.7 OUTLIER 73.63 -7.18 1.62 Allowed 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 115.002 -0.999 . . . . 0.0 111.539 -176.914 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.666 ' O ' HG23 ' B' ' 57' ' ' VAL . . . -69.19 -37.69 78.25 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 174.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.537 ' HA ' HD21 ' B' ' 81' ' ' LEU . 7.6 p -57.08 -42.77 80.06 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.443 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.781 179.019 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.415 ' HB3' ' O ' ' B' ' 52' ' ' ASP . 1.5 t70 -53.15 -53.1 55.49 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.788 175.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . 0.462 ' NZ ' ' OD2' ' B' ' 52' ' ' ASP . 21.0 mttp -65.83 -40.86 92.18 Favored 'General case' 0 C--N 1.298 -1.638 0 CA-C-N 114.636 -1.165 . . . . 0.0 111.353 -178.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.666 HG23 ' O ' ' B' ' 53' ' ' ALA . 60.0 t -62.13 -45.83 97.85 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 177.124 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . 0.419 ' SD ' HD13 ' B' ' 37' ' ' LEU . 2.1 mtm -61.75 -42.26 98.74 Favored 'General case' 0 CA--C 1.5 -0.948 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 177.422 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . 0.629 ' HB2' ' HZ2' ' B' ' 59' ' ' LYS . 0.1 OUTLIER -62.39 -42.51 99.48 Favored 'General case' 0 C--N 1.305 -1.361 0 CA-C-N 114.717 -1.129 . . . . 0.0 109.831 -177.855 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' B' ' 64' ' ' ASN . 42.1 tt0 -59.39 -42.51 91.89 Favored 'General case' 0 CA--C 1.517 -0.315 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 177.032 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.672 ' HG ' HD13 ' B' ' 77' ' ' LEU . 1.9 mm? -62.4 -39.03 91.92 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.132 -0.486 . . . . 0.0 109.889 173.144 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.749 ' HA ' ' NZ ' ' B' ' 30' ' ' LYS . 59.2 m-20 -66.5 -39.35 88.66 Favored 'General case' 0 C--N 1.316 -0.867 0 C-N-CA 120.26 -0.576 . . . . 0.0 111.03 176.552 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -65.8 -41.74 91.56 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 172.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . 0.49 ' C ' ' H ' ' B' ' 66' ' ' ASP . 2.0 m-80 -75.83 -1.55 25.76 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 114.973 -1.012 . . . . 0.0 109.833 175.53 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' B' ' 61' ' ' LEU . . . -74.75 44.19 1.47 Allowed Glycine 0 N--CA 1.449 -0.47 0 N-CA-C 108.753 -1.739 . . . . 0.0 108.753 175.141 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.49 ' H ' ' C ' ' B' ' 64' ' ' ASN . 16.9 t70 -64.11 -39.14 93.39 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 115.055 -0.573 . . . . 0.0 110.15 -176.139 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -138.11 -77.82 0.07 OUTLIER Glycine 0 C--N 1.318 -0.437 0 N-CA-C 109.942 -1.263 . . . . 0.0 109.942 178.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.406 ' OE2' ' NZ ' ' B' ' 27' ' ' LYS . 1.6 mp0 -133.67 166.6 22.23 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 178.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.754 HG23 ' CB ' ' B' ' 73' ' ' GLU . 1.8 p -110.4 125.16 67.65 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.665 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 172.111 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.32 -173.83 2.89 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-O 121.074 0.464 . . . . 0.0 110.455 -178.163 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.63 ' O ' HG22 ' B' ' 75' ' ' VAL . 64.3 t80 -60.27 -44.7 95.1 Favored 'General case' 0 C--N 1.309 -1.195 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.565 179.322 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.672 ' HG3' HG11 ' A' ' 83' ' ' VAL . 25.4 mt-30 -59.22 -42.12 90.27 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.89 177.617 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.754 ' CB ' HG23 ' B' ' 69' ' ' VAL . 46.1 mt-10 -69.73 -41.21 75.58 Favored 'General case' 0 C--O 1.24 0.57 0 C-N-CA 119.861 -0.735 . . . . 0.0 110.762 175.523 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . 0.519 ' CE1' HD21 ' B' ' 36' ' ' LEU . 29.6 t80 -61.18 -48.67 80.5 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.318 178.667 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.927 HG21 ' CB ' ' A' ' 79' ' ' ALA . 27.6 m -64.86 -43.0 96.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 C-N-CA 120.261 -0.576 . . . . 0.0 112.5 -179.56 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 13.1 p -64.65 -39.66 86.39 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 C-N-CA 120.292 -0.563 . . . . 0.0 110.305 -178.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.755 HD21 HD12 ' B' ' 37' ' ' LEU . 52.6 tp -61.03 -48.0 83.8 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.569 -179.479 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 22.3 m -67.48 -42.26 86.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 C-N-CA 119.755 -0.778 . . . . 0.0 110.462 175.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.92 ' CB ' HG21 ' A' ' 75' ' ' VAL . . . -64.17 -41.25 97.21 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.728 -179.039 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . 0.533 ' O ' HG12 ' B' ' 83' ' ' VAL . . . -60.4 -44.63 95.5 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 177.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.768 HD11 HD11 ' B' ' 37' ' ' LEU . 97.4 mt -63.46 -41.75 98.62 Favored 'General case' 0 C--N 1.305 -1.326 0 CA-C-N 114.864 -1.062 . . . . 0.0 109.981 175.34 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.437 ' O ' ' HB2' ' B' ' 86' ' ' ASN . 17.7 m -61.66 -48.92 78.64 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.86 177.037 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.533 HG12 ' O ' ' B' ' 80' ' ' ALA . 0.4 OUTLIER -63.9 -42.11 94.72 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.354 179.683 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -51.29 -60.83 2.69 Favored 'General case' 0 C--O 1.239 0.502 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.433 -179.066 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 85' ' ' MET . . . . . 0.639 ' SD ' ' HD1' ' B' ' 44' ' ' PHE . 87.2 mtp -66.27 -41.6 89.63 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.583 -0.447 . . . . 0.0 112.03 176.702 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.479 ' O ' ' CD1' ' B' ' 90' ' ' TRP . 28.3 m-80 -62.24 -40.27 95.62 Favored 'General case' 0 CA--C 1.497 -1.065 0 C-N-CA 119.86 -0.736 . . . . 0.0 111.671 -179.395 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . 0.512 ' HA ' ' CE3' ' B' ' 90' ' ' TRP . 3.4 t30 -58.64 -40.68 84.08 Favored 'General case' 0 N--CA 1.443 -0.789 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 175.654 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.63 ' O ' ' N ' ' B' ' 92' ' ' ASN . 56.4 t80 -61.07 -45.23 95.58 Favored 'General case' 0 C--O 1.212 -0.887 0 C-N-CA 120.08 -0.648 . . . . 0.0 110.38 170.157 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 19.6 m-30 -57.41 -43.59 83.89 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.073 -0.651 . . . . 0.0 109.711 178.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . 0.524 ' CD1' ' NE2' ' A' ' 16' ' ' HIS . 10.7 m0 -64.14 -50.16 69.3 Favored 'General case' 0 CA--C 1.503 -0.865 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 179.224 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -71.28 -31.52 67.57 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 114.961 -1.018 . . . . 0.0 112.446 -178.41 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . 0.63 ' N ' ' O ' ' B' ' 88' ' ' PHE . 54.9 t-20 -47.53 108.01 0.14 Allowed 'General case' 0 C--O 1.24 0.591 0 CA-C-O 121.374 0.607 . . . . 0.0 110.6 -175.583 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 9.9 m . . . . . 0 C--O 1.207 -1.139 0 CA-C-N 115.132 -0.94 . . . . 0.0 108.935 -177.358 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.638 0 N-CA-C 111.109 -0.796 . . . . 0.0 111.109 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -73.12 157.42 37.28 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 179.086 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -59.35 -38.28 80.0 Favored 'General case' 0 CA--C 1.507 -0.684 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 175.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.923 HD21 HG21 ' B' ' 14' ' ' VAL . 4.3 mm? -61.54 -44.47 96.98 Favored 'General case' 0 C--N 1.314 -0.95 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 178.027 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.435 ' HG2' ' CD1' ' B' ' 44' ' ' PHE . 99.4 mt-10 -64.39 -42.4 96.14 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.067 -0.969 . . . . 0.0 109.674 175.558 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.1 m -61.22 -45.73 93.36 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.555 178.148 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.496 ' HB1' ' HB1' ' B' ' 7' ' ' ALA . . . -61.29 -41.84 97.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.099 177.438 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.504 ' HG2' ' O ' ' A' ' 4' ' ' LEU . 93.1 mmm -64.47 -40.8 96.36 Favored 'General case' 0 C--O 1.238 0.493 0 C-N-CA 120.603 -0.439 . . . . 0.0 110.964 177.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -64.21 -38.11 89.87 Favored 'General case' 0 CA--C 1.515 -0.371 0 C-N-CA 120.053 -0.659 . . . . 0.0 109.891 176.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 18.0 m -57.11 -46.04 82.93 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.503 HD11 ' SD ' ' B' ' 8' ' ' MET . 94.7 mt -63.85 -41.18 97.85 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.256 175.6 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.439 HD13 ' CE1' ' A' ' 71' ' ' PHE . 24.1 mm -62.89 -43.25 98.79 Favored 'Isoleucine or valine' 0 C--O 1.237 0.42 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.199 178.656 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -59.46 -44.53 92.97 Favored 'General case' 0 CA--C 1.509 -0.611 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 -178.06 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.58 HG21 HD21 ' B' ' 4' ' ' LEU . 74.3 t -67.29 -43.81 87.82 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.312 175.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.477 ' CE1' ' HB2' ' A' ' 28' ' ' LEU . 69.5 t80 -57.85 -46.63 84.5 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.615 ' NE2' ' OD1' ' B' ' 86' ' ' ASN . 11.9 m-70 -60.49 -48.0 83.68 Favored 'General case' 0 CA--C 1.503 -0.862 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.975 179.522 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.539 ' O ' ' HG2' ' A' ' 21' ' ' LYS . . . -55.28 -50.19 70.16 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.933 -175.807 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.429 ' HB3' ' HB3' ' A' ' 32' ' ' GLU . 94.9 m-70 -67.49 -40.29 85.22 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 177.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 28.0 m -56.96 -41.42 78.27 Favored 'General case' 0 C--O 1.24 0.581 0 CA-C-O 121.706 0.765 . . . . 0.0 109.05 175.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.99 -40.09 95.04 Favored Glycine 0 N--CA 1.444 -0.79 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.211 -179.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.539 ' HG2' ' O ' ' A' ' 17' ' ' ALA . 43.2 mmtm -66.65 -48.37 69.6 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.757 -0.377 . . . . 0.0 111.32 -174.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.552 ' HG2' ' HD2' ' A' ' 31' ' ' LYS . 70.9 mt-10 -70.14 -44.92 67.88 Favored 'General case' 0 C--O 1.24 0.573 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.17 -171.179 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 152.71 -25.46 0.84 Allowed Glycine 0 CA--C 1.533 1.193 0 C-N-CA 119.7 -1.238 . . . . 0.0 114.525 176.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.501 ' CB ' ' HB2' ' A' ' 27' ' ' LYS . 6.3 t70 -77.38 160.74 28.54 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 117.924 0.862 . . . . 0.0 112.366 -175.535 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.528 ' HB3' ' CD2' ' A' ' 26' ' ' TYR 0.254 74.2 mmtt -62.81 -49.41 75.06 Favored 'General case' 0 CA--C 1.486 -1.518 0 N-CA-C 107.292 -1.373 . . . . 0.0 107.292 171.345 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.528 ' CD2' ' HB3' ' A' ' 25' ' ' LYS . 1.1 p90 -158.33 92.52 1.16 Allowed 'General case' 0 N--CA 1.416 -2.126 0 CA-C-N 113.602 -1.636 . . . . 0.0 109.988 178.528 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.501 ' HB2' ' CB ' ' A' ' 24' ' ' ASP . 21.5 mmmt -156.31 157.23 35.35 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 106.09 -1.818 . . . . 0.0 106.09 172.615 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.517 HD21 HD23 ' A' ' 36' ' ' LEU . 38.3 tp -123.05 127.94 49.46 Favored 'General case' 0 C--N 1.302 -1.491 0 C-N-CA 119.784 -0.766 . . . . 0.0 109.18 176.638 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.449 ' HB2' ' HG3' ' A' ' 31' ' ' LYS . 0.9 OUTLIER -105.01 -178.33 3.62 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 179.942 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.586 ' CE ' ' HA ' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -82.74 -5.42 58.9 Favored 'General case' 0 C--N 1.307 -1.248 0 C-N-CA 119.601 -0.839 . . . . 0.0 111.664 -175.335 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.552 ' HD2' ' HG2' ' A' ' 22' ' ' GLU . 35.8 mttt -65.56 -45.42 83.4 Favored 'General case' 0 CA--C 1.505 -0.779 0 N-CA-C 107.651 -1.24 . . . . 0.0 107.651 179.059 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 36' ' ' LEU . 74.8 mm-40 -97.25 -40.68 8.65 Favored 'General case' 0 N--CA 1.431 -1.389 0 CA-C-N 113.908 -1.496 . . . . 0.0 112.093 -174.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.628 ' C ' HD13 ' A' ' 33' ' ' LEU . 2.7 tm? -58.87 -44.94 91.18 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 120.947 -0.301 . . . . 0.0 111.434 -172.423 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.4 mtpp -61.71 -42.01 98.38 Favored 'General case' 0 C--N 1.313 -1.021 0 C-N-CA 120.159 -0.616 . . . . 0.0 109.528 -179.174 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -72.67 -43.6 62.93 Favored 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.551 177.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.702 HD21 ' CE1' ' A' ' 74' ' ' TYR . 2.9 tp -61.45 -48.53 80.73 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.214 -0.903 . . . . 0.0 112.321 -178.695 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.816 HD12 ' SD ' ' A' ' 58' ' ' MET . 2.8 tm? -62.5 -46.57 87.85 Favored 'General case' 0 C--N 1.317 -0.846 0 C-N-CA 119.935 -0.706 . . . . 0.0 110.962 -174.364 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.699 ' HA ' HD22 ' A' ' 45' ' ' LEU . 14.5 pt20 -65.57 -42.69 91.49 Favored 'General case' 0 C--N 1.316 -0.861 0 C-N-CA 120.146 -0.621 . . . . 0.0 110.24 176.118 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 97.8 m -64.16 -52.38 59.29 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 112.832 0.678 . . . . 0.0 112.832 -176.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.417 ' HG2' HD12 ' A' ' 36' ' ' LEU . 75.3 mm-40 -76.15 -39.87 53.96 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 113.255 0.835 . . . . 0.0 113.255 -174.243 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.583 HD22 HD21 ' A' ' 37' ' ' LEU . 10.2 mp -87.32 38.08 0.8 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.027 0.441 . . . . 0.0 111.126 -179.009 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -41.83 -56.14 2.81 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-N 115.569 -0.741 . . . . 0.0 112.151 -178.346 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.411 ' H ' ' CD ' ' B' ' 5' ' ' GLU . . . -66.05 -43.79 92.72 Favored Glycine 0 C--N 1.317 -0.492 0 N-CA-C 111.67 -0.572 . . . . 0.0 111.67 -178.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.619 ' HA ' ' SD ' ' A' ' 85' ' ' MET . 47.4 m-85 -66.79 -42.66 85.65 Favored 'General case' 0 CA--C 1.498 -1.032 0 CA-C-O 121.261 0.553 . . . . 0.0 109.952 179.476 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.699 HD22 ' HA ' ' A' ' 38' ' ' GLN . 49.6 tp -61.71 -47.82 83.56 Favored 'General case' 0 N--CA 1.432 -1.346 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.365 177.036 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.442 ' OD1' ' NZ ' ' A' ' 49' ' ' LYS . 29.4 t70 -62.77 -42.43 99.68 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.143 0.497 . . . . 0.0 110.791 177.718 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.841 ' HB3' ' SD ' ' A' ' 85' ' ' MET . . . -75.14 -10.19 59.24 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.799 -178.319 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 44.4 mm-40 -111.57 3.23 17.83 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 -177.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.442 ' NZ ' ' OD1' ' A' ' 46' ' ' ASP . 42.0 mtmt -60.54 -32.9 71.93 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 177.229 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -81.2 8.88 7.83 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.375 -0.829 . . . . 0.0 110.914 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.559 ' O ' HG12 ' A' ' 54' ' ' VAL . 75.5 t -120.08 130.67 74.02 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 CA-C-O 121.416 0.627 . . . . 0.0 110.91 -176.374 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -65.37 -39.94 92.92 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.389 177.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.526 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -58.05 -35.17 70.95 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.475 -0.784 . . . . 0.0 113.107 -171.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.577 ' HA ' HD21 ' A' ' 81' ' ' LEU . 7.1 p -57.59 -46.66 86.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 C-N-CA 119.744 -0.782 . . . . 0.0 111.001 -175.546 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 59' ' ' LYS . 23.6 t70 -58.47 -48.8 79.58 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.12 0.486 . . . . 0.0 110.089 177.518 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.438 ' HD2' ' N ' ' A' ' 56' ' ' LYS . 2.8 mptp? -65.98 -41.33 91.3 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.769 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.557 HG12 HD12 ' A' ' 77' ' ' LEU . 57.9 t -60.44 -46.07 95.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 174.465 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.816 ' SD ' HD12 ' A' ' 37' ' ' LEU . 30.4 mmm -62.09 -44.25 97.07 Favored 'General case' 0 CA--C 1.504 -0.798 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.012 178.638 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.508 ' NZ ' ' OE2' ' A' ' 63' ' ' GLU . 20.9 tptp -67.65 -46.44 72.43 Favored 'General case' 0 N--CA 1.435 -1.21 0 CA-C-N 114.843 -1.071 . . . . 0.0 111.028 -176.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 -58.84 -46.29 88.07 Favored 'General case' 0 C--O 1.241 0.614 0 C-N-CA 120.351 -0.54 . . . . 0.0 109.737 179.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.663 ' HG ' HD13 ' A' ' 77' ' ' LEU . 1.8 mm? -63.7 -40.22 96.24 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.45 174.776 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.586 ' HA ' ' CE ' ' A' ' 30' ' ' LYS . 36.2 t70 -61.43 -42.71 99.18 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 120.273 -0.571 . . . . 0.0 110.452 177.47 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.508 ' OE2' ' NZ ' ' A' ' 59' ' ' LYS . 74.0 mm-40 -57.32 -46.25 83.44 Favored 'General case' 0 CA--C 1.512 -0.517 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 178.394 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.499 ' C ' ' H ' ' A' ' 66' ' ' ASP . 10.0 t-20 -65.23 -41.88 93.95 Favored 'General case' 0 CA--C 1.502 -0.88 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.443 178.346 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.551 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . . . -69.88 40.61 0.43 Allowed Glycine 0 C--O 1.238 0.404 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 178.377 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.499 ' H ' ' C ' ' A' ' 64' ' ' ASN . 32.7 t70 -63.77 -35.06 79.34 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 177.261 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -108.98 -66.53 0.58 Allowed Glycine 0 C--N 1.32 -0.348 0 N-CA-C 109.302 -1.519 . . . . 0.0 109.302 175.181 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.413 ' OE1' ' NZ ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -138.9 170.48 15.91 Favored 'General case' 0 CA--C 1.511 -0.526 0 CA-C-O 120.658 0.266 . . . . 0.0 110.366 177.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.475 HG11 ' HG ' ' A' ' 33' ' ' LEU . 1.5 p -125.41 129.58 72.93 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.099 0 N-CA-C 107.542 -1.281 . . . . 0.0 107.542 169.567 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -94.03 -179.89 5.11 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 119.733 -0.787 . . . . 0.0 111.851 -174.124 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.439 ' CE1' HD13 ' A' ' 12' ' ' ILE . 48.1 t80 -61.25 -44.57 97.03 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.948 -179.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.719 HE21 HG11 ' B' ' 83' ' ' VAL . 76.7 mt-30 -59.93 -44.3 94.43 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.992 179.015 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.461 ' HA ' HG12 ' A' ' 76' ' ' VAL . 61.2 mt-10 -66.48 -40.6 89.42 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 121.1 0.476 . . . . 0.0 110.524 174.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.702 ' CE1' HD21 ' A' ' 36' ' ' LEU . 32.2 t80 -60.37 -47.96 83.81 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.435 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.694 HG21 ' CB ' ' B' ' 79' ' ' ALA . 18.6 m -63.47 -42.86 97.7 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 C-N-CA 119.645 -0.822 . . . . 0.0 111.422 179.219 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.461 HG12 ' HA ' ' A' ' 73' ' ' GLU . 14.1 p -67.49 -37.35 78.7 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.759 0 C-N-CA 119.922 -0.711 . . . . 0.0 110.915 -179.221 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.663 HD13 ' HG ' ' A' ' 61' ' ' LEU . 53.2 tp -60.78 -47.66 85.32 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.232 -0.587 . . . . 0.0 109.834 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.597 HG12 HD23 ' A' ' 37' ' ' LEU . 10.4 m -70.41 -43.05 78.5 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 C-N-CA 120.452 -0.499 . . . . 0.0 111.001 175.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.712 ' CB ' HG21 ' B' ' 75' ' ' VAL . . . -64.77 -38.92 92.62 Favored 'General case' 0 CA--C 1.511 -0.553 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.32 179.788 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 76' ' ' VAL . . . -56.79 -48.13 78.61 Favored 'General case' 0 CA--C 1.509 -0.63 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 178.723 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.577 HD21 ' HA ' ' A' ' 54' ' ' VAL . 99.5 mt -63.75 -41.17 98.05 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 115.025 -0.989 . . . . 0.0 109.773 174.797 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.478 HG21 ' HB3' ' B' ' 8' ' ' MET . 22.7 m -61.74 -51.05 69.93 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.546 -179.422 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 13.2 p -62.56 -44.34 99.27 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.424 0 C-N-CA 120.106 -0.637 . . . . 0.0 109.8 179.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.58 -51.61 68.79 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.256 177.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.841 ' SD ' ' HB3' ' A' ' 47' ' ' ALA . 9.2 ttt -71.13 -44.75 64.97 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.073 -0.651 . . . . 0.0 111.561 -179.804 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.429 ' HB2' ' O ' ' A' ' 82' ' ' THR . 8.2 m120 -65.94 -25.05 66.95 Favored 'General case' 0 CA--C 1.499 -1.006 0 C-N-CA 120.953 -0.299 . . . . 0.0 111.23 -177.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.446 HD21 ' CD ' ' A' ' 91' ' ' GLU . 9.7 t30 -55.95 -35.87 67.16 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 178.183 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.476 ' O ' ' N ' ' A' ' 92' ' ' ASN . 59.5 m-85 -60.1 -41.15 91.91 Favored 'General case' 0 C--O 1.214 -0.771 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.953 178.028 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -55.85 -46.8 78.1 Favored 'General case' 0 CA--C 1.512 -0.487 0 CA-C-O 120.989 0.423 . . . . 0.0 110.661 -176.013 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.509 ' CE2' ' CD2' ' B' ' 16' ' ' HIS . 37.4 m95 -72.81 -40.91 65.46 Favored 'General case' 0 C--N 1.303 -1.433 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.107 -177.109 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.446 ' CD ' HD21 ' A' ' 87' ' ' ASN . 89.7 mt-10 -70.15 -38.04 75.38 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.409 -0.517 . . . . 0.0 110.296 175.355 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.476 ' N ' ' O ' ' A' ' 88' ' ' PHE . 36.0 t30 -50.28 114.44 1.12 Allowed 'General case' 0 CA--C 1.51 -0.572 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.825 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 6.0 t . . . . . 0 C--O 1.209 -1.072 0 CA-C-O 118.341 -0.838 . . . . 0.0 111.203 -172.944 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.734 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . 0.418 ' O ' ' N ' ' B' ' 5' ' ' GLU . 18.8 m -68.22 151.53 46.83 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 177.409 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.459 ' H ' ' CD ' ' B' ' 3' ' ' GLU . 2.0 mp0 -51.4 -24.72 5.16 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 177.003 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.58 HD21 HG21 ' A' ' 14' ' ' VAL . 8.5 mp -61.74 -42.24 98.71 Favored 'General case' 0 N--CA 1.442 -0.851 0 CA-C-N 115.21 -0.905 . . . . 0.0 109.658 177.602 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' B' ' 2' ' ' SER . 31.0 mt-10 -62.49 -42.94 99.84 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 178.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 8.0 m -62.13 -44.57 96.34 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-N 115.272 -0.876 . . . . 0.0 109.103 173.156 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.496 ' HB1' ' HB1' ' A' ' 7' ' ' ALA . . . -57.34 -45.08 84.69 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.995 178.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . 0.503 ' SD ' HD11 ' A' ' 11' ' ' LEU . 95.9 mmm -63.45 -41.88 98.65 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.332 -0.547 . . . . 0.0 109.879 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.404 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 70.0 mt-10 -65.35 -37.14 86.15 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 120.325 -0.55 . . . . 0.0 110.463 173.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.597 ' O ' HG23 ' B' ' 14' ' ' VAL . 8.7 m -58.81 -43.19 90.5 Favored 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 176.327 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.714 HD23 ' CD1' ' A' ' 4' ' ' LEU . 99.4 mt -62.51 -42.6 99.62 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.969 175.011 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.539 HD13 ' CD1' ' B' ' 71' ' ' PHE . 18.4 mm -62.76 -46.09 97.22 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.003 -178.256 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . 0.404 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 50.2 m-80 -63.75 -42.28 97.88 Favored 'General case' 0 C--N 1.312 -1.065 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.255 -176.451 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.923 HG21 HD21 ' A' ' 4' ' ' LEU . 77.8 t -64.19 -46.78 92.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 175.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.595 ' CE2' ' HB2' ' B' ' 28' ' ' LEU . 64.1 t80 -57.2 -47.53 81.05 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.36 -0.837 . . . . 0.0 108.781 176.293 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.509 ' CD2' ' CE2' ' A' ' 90' ' ' TRP . 2.2 t-80 -61.51 -44.06 97.74 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.336 -179.031 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.02 -43.33 60.86 Favored 'General case' 0 CA--C 1.508 -0.661 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 -178.164 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.507 ' CD2' HD22 ' B' ' 36' ' ' LEU . 97.5 m-70 -69.22 -39.2 78.7 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-N 115.021 -0.991 . . . . 0.0 111.001 175.232 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 75.5 m -56.58 -40.48 75.29 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 176.543 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.19 -48.2 81.83 Favored Glycine 0 N--CA 1.443 -0.863 0 N-CA-C 109.799 -1.32 . . . . 0.0 109.799 176.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 65.4 mmtt -66.35 -40.6 89.93 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.747 0.308 . . . . 0.0 111.309 178.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.481 ' HG3' ' H ' ' B' ' 24' ' ' ASP . 4.7 tp10 -63.57 -35.17 79.61 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.305 176.346 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 107.01 -13.13 41.12 Favored Glycine 0 C--O 1.237 0.338 0 C-N-CA 121.141 -0.552 . . . . 0.0 111.786 175.438 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.481 ' H ' ' HG3' ' B' ' 22' ' ' GLU . 9.4 t70 -77.83 148.7 34.59 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.616 -0.434 . . . . 0.0 110.337 177.558 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.405 ' HE2' ' CZ ' ' B' ' 26' ' ' TYR . 18.0 pttm -63.49 -30.87 71.93 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 120.476 -0.49 . . . . 0.0 110.356 176.379 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.405 ' CZ ' ' HE2' ' B' ' 25' ' ' LYS . 2.1 p90 -164.17 93.35 0.69 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.651 170.546 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.522 ' HE2' ' HB2' ' B' ' 68' ' ' GLU . 1.1 mmtm -164.12 161.41 22.33 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 114.835 -1.075 . . . . 0.0 108.521 172.064 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.595 ' HB2' ' CE2' ' B' ' 15' ' ' PHE . 47.3 tp -124.64 121.27 34.24 Favored 'General case' 0 C--N 1.306 -1.289 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 174.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 11.3 p -85.89 170.71 12.11 Favored 'General case' 0 C--N 1.315 -0.928 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 176.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.624 ' CE ' ' HA ' ' B' ' 62' ' ' ASP . 3.8 mmmm -72.66 -6.36 43.82 Favored 'General case' 0 C--N 1.315 -0.9 0 C-N-CA 120.139 -0.624 . . . . 0.0 109.786 179.145 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 22.0 mttm -63.53 -65.91 0.62 Allowed 'General case' 0 CA--C 1.511 -0.553 0 CA-C-O 122.311 1.053 . . . . 0.0 108.286 177.298 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.492 ' CB ' ' HB3' ' B' ' 18' ' ' HIS . 70.8 mm-40 -72.86 -39.52 66.43 Favored 'General case' 0 N--CA 1.431 -1.423 0 CA-C-N 113.553 -1.658 . . . . 0.0 112.749 -175.524 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.583 HD13 ' C ' ' B' ' 33' ' ' LEU . 3.0 tm? -59.15 -43.96 92.07 Favored 'General case' 0 CA--C 1.51 -0.582 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.203 -173.073 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.494 ' NZ ' ' HB3' ' B' ' 34' ' ' LYS . 9.3 mtpm? -63.02 -43.02 99.89 Favored 'General case' 0 C--N 1.315 -0.907 0 C-N-CA 120.255 -0.578 . . . . 0.0 110.299 179.353 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.439 ' O ' ' OG1' ' B' ' 39' ' ' THR . 69.2 mm-40 -66.09 -46.6 77.09 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 177.294 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.721 HD21 ' CE1' ' B' ' 74' ' ' TYR . 9.1 tp -62.03 -51.39 68.2 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-N 114.564 -1.198 . . . . 0.0 113.611 -178.053 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.643 HD12 ' SD ' ' B' ' 58' ' ' MET . 2.9 tm? -63.53 -47.61 80.94 Favored 'General case' 0 C--N 1.316 -0.856 0 C-N-CA 119.786 -0.766 . . . . 0.0 111.527 -172.45 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -66.14 -41.54 90.29 Favored 'General case' 0 C--N 1.314 -0.957 0 C-N-CA 120.286 -0.566 . . . . 0.0 110.485 178.191 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.439 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 68.8 m -64.84 -55.73 17.75 Favored 'General case' 0 C--O 1.244 0.796 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -177.588 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -70.88 -40.44 72.25 Favored 'General case' 0 CA--C 1.51 -0.571 0 N-CA-C 112.629 0.603 . . . . 0.0 112.629 -176.516 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.439 HD21 ' HB ' ' B' ' 78' ' ' VAL . 9.2 mp -98.23 21.9 10.3 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.62 -179.666 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -48.73 -36.24 15.9 Favored 'General case' 0 N--CA 1.443 -0.782 0 C-N-CA 120.604 -0.438 . . . . 0.0 110.375 -179.273 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -64.76 -51.09 54.8 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 110.894 -0.883 . . . . 0.0 110.894 175.348 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.435 ' CD1' ' HG2' ' A' ' 5' ' ' GLU . 41.2 m-85 -63.81 -43.12 97.23 Favored 'General case' 0 CA--C 1.509 -0.628 0 CA-C-O 121.225 0.536 . . . . 0.0 110.386 176.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.517 ' O ' HD12 ' B' ' 45' ' ' LEU . 2.3 tp -59.14 -47.95 83.4 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.476 179.704 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -65.05 -41.09 95.47 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-O 121.076 0.465 . . . . 0.0 110.662 173.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . 0.442 ' HB1' ' SD ' ' B' ' 85' ' ' MET . . . -59.7 -47.83 84.09 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.922 -176.506 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.53 ' NE2' ' SD ' ' B' ' 85' ' ' MET . 0.0 OUTLIER -109.69 23.04 14.95 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -179.181 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.472 ' O ' ' NZ ' ' B' ' 49' ' ' LYS . 0.3 OUTLIER -59.58 -29.74 68.16 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 177.901 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 30.4 p-10 -78.44 -5.9 53.77 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.232 -177.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . 0.797 ' O ' HG12 ' B' ' 54' ' ' VAL . 57.5 t -85.02 127.95 39.43 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.655 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 177.663 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -59.35 -39.17 82.33 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-O 121.358 0.599 . . . . 0.0 110.002 -179.046 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.718 ' O ' HG23 ' B' ' 57' ' ' VAL . . . -58.67 -24.59 61.56 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-N 115.375 -0.83 . . . . 0.0 112.185 -178.545 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.797 HG12 ' O ' ' B' ' 51' ' ' VAL . 9.4 p -57.77 -45.41 87.05 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 C-N-CA 120.067 -0.653 . . . . 0.0 110.963 -174.485 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -60.98 -48.03 83.71 Favored 'General case' 0 CA--C 1.51 -0.559 0 CA-C-O 121.73 0.776 . . . . 0.0 109.487 177.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . 0.47 ' HA ' ' HB3' ' B' ' 59' ' ' LYS . 59.6 mttm -64.37 -39.12 93.25 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 114.194 -1.367 . . . . 0.0 111.806 -178.26 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.718 HG23 ' O ' ' B' ' 53' ' ' ALA . 71.4 t -60.04 -46.76 93.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 176.615 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . 0.643 ' SD ' HD12 ' B' ' 37' ' ' LEU . 7.2 mmm -62.31 -43.38 98.96 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.675 0.75 . . . . 0.0 109.105 176.631 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . 0.47 ' HB3' ' HA ' ' B' ' 56' ' ' LYS . 28.0 tptp -63.58 -47.29 82.09 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-N 114.482 -1.236 . . . . 0.0 111.292 -176.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 78.8 tt0 -58.92 -42.76 90.46 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 -177.108 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.794 ' HG ' HD13 ' B' ' 77' ' ' LEU . 2.8 mm? -63.41 -41.01 98.72 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.777 174.444 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.624 ' HA ' ' CE ' ' B' ' 30' ' ' LYS . 44.1 t0 -60.14 -46.66 88.89 Favored 'General case' 0 N--CA 1.443 -0.81 0 C-N-CA 119.546 -0.862 . . . . 0.0 110.137 177.064 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.72 -45.92 90.5 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.595 178.567 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . 0.452 ' C ' ' H ' ' B' ' 66' ' ' ASP . 0.2 OUTLIER -63.81 -41.98 97.77 Favored 'General case' 0 CA--C 1.498 -1.047 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 178.454 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' B' ' 61' ' ' LEU . . . -69.48 50.64 0.62 Allowed Glycine 0 N--CA 1.444 -0.776 0 N-CA-C 109.684 -1.367 . . . . 0.0 109.684 178.206 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.452 ' H ' ' C ' ' B' ' 64' ' ' ASN . 33.6 t70 -61.69 -37.57 84.63 Favored 'General case' 0 CA--C 1.498 -1.052 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 178.414 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -113.52 -73.67 0.62 Allowed Glycine 0 C--N 1.316 -0.551 0 N-CA-C 109.644 -1.383 . . . . 0.0 109.644 175.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.522 ' HB2' ' HE2' ' B' ' 27' ' ' LYS . 0.9 OUTLIER -127.65 178.14 6.32 Favored 'General case' 0 C--N 1.314 -0.946 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 178.676 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.495 HG23 ' CB ' ' B' ' 73' ' ' GLU . 1.8 p -127.76 133.2 68.0 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.189 0 N-CA-C 107.784 -1.191 . . . . 0.0 107.784 169.795 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -98.07 -178.8 4.18 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 120.344 -0.542 . . . . 0.0 111.815 -174.049 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.539 ' CD1' HD13 ' B' ' 12' ' ' ILE . 65.8 t80 -61.4 -44.63 96.81 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.526 -179.222 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.44 ' O ' HG22 ' B' ' 75' ' ' VAL . 47.4 mt-30 -59.7 -42.7 93.57 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.825 178.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.514 ' HA ' HG12 ' B' ' 76' ' ' VAL . 91.0 mt-10 -67.39 -38.75 85.17 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.475 176.469 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . 0.721 ' CE1' HD21 ' B' ' 36' ' ' LEU . 32.0 t80 -60.72 -48.23 82.72 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.28 178.619 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.712 HG21 ' CB ' ' A' ' 79' ' ' ALA . 17.6 m -64.48 -42.69 95.98 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 C-N-CA 120.067 -0.653 . . . . 0.0 111.899 179.83 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.514 HG12 ' HA ' ' B' ' 73' ' ' GLU . 12.0 p -65.47 -39.65 85.82 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 C-N-CA 120.429 -0.508 . . . . 0.0 110.968 -178.133 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.794 HD13 ' HG ' ' B' ' 61' ' ' LEU . 57.4 tp -61.09 -48.27 82.45 Favored 'General case' 0 CA--C 1.515 -0.388 0 C-N-CA 120.412 -0.515 . . . . 0.0 110.063 -179.615 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.534 HG12 HD23 ' B' ' 37' ' ' LEU . 15.6 m -69.07 -41.55 81.62 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 C-N-CA 120.336 -0.546 . . . . 0.0 110.736 176.83 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.694 ' CB ' HG21 ' A' ' 75' ' ' VAL . . . -63.16 -40.09 96.53 Favored 'General case' 0 CA--C 1.507 -0.699 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.06 178.737 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . 0.655 ' O ' HG12 ' B' ' 83' ' ' VAL . . . -56.28 -48.74 76.02 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 -179.532 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.405 ' HG ' HG11 ' B' ' 57' ' ' VAL . 98.8 mt -65.57 -41.58 92.77 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.046 174.775 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 18.5 m -60.44 -46.14 91.12 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.579 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.719 HG11 HE21 ' A' ' 72' ' ' GLN . 2.7 p -62.68 -41.76 93.5 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.74 0 C-N-CA 120.402 -0.519 . . . . 0.0 109.831 178.063 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.05 -47.86 84.1 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 174.208 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 85' ' ' MET . . . . . 0.53 ' SD ' ' NE2' ' B' ' 48' ' ' GLN . 12.6 tpt -59.26 -43.79 92.44 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.7 177.168 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.615 ' OD1' ' NE2' ' A' ' 16' ' ' HIS . 32.5 t30 -62.34 -43.14 99.52 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.603 178.74 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 32.6 t30 -62.67 -44.42 96.29 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 120.39 -0.524 . . . . 0.0 110.389 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -64.69 -32.68 74.46 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.403 175.286 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -53.69 -48.93 69.06 Favored 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 -177.037 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . 0.45 ' CD1' ' O ' ' B' ' 86' ' ' ASN . 42.3 m95 -78.27 -44.11 26.34 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.6 178.795 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 -68.52 -36.71 79.23 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 120.215 -0.594 . . . . 0.0 112.366 -178.111 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -47.33 115.68 1.18 Allowed 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 -178.109 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 1.9 t . . . . . 0 C--O 1.205 -1.246 0 CA-C-O 117.978 -1.011 . . . . 0.0 110.417 -176.119 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.581 0 N-CA-C 110.774 -0.931 . . . . 0.0 110.774 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.434 ' C ' ' N ' ' A' ' 4' ' ' LEU . 0.7 OUTLIER -75.37 -172.21 1.69 Allowed 'General case' 0 C--N 1.319 -0.739 0 C-N-CA 122.64 0.376 . . . . 0.0 111.6 -176.777 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.457 ' H ' ' CD ' ' A' ' 3' ' ' GLU . 1.9 mp0 -41.78 -24.31 0.04 OUTLIER 'General case' 0 CA--C 1.509 -0.613 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.984 178.474 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.696 ' CD1' HD23 ' B' ' 11' ' ' LEU . 2.3 mm? -61.02 -42.41 98.42 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.819 -174.356 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.459 ' O ' ' HG3' ' A' ' 9' ' ' GLU . 93.2 mt-10 -65.92 -44.03 86.36 Favored 'General case' 0 N--CA 1.443 -0.787 0 C-N-CA 119.729 -0.788 . . . . 0.0 109.706 176.235 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 14.3 m -61.08 -45.55 94.28 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.813 176.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 3' ' ' GLU . . . -55.39 -47.75 75.4 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 178.67 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.529 ' HE1' ' HB2' ' B' ' 79' ' ' ALA . 94.9 mmm -64.7 -40.75 95.9 Favored 'General case' 0 C--O 1.239 0.55 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.672 177.561 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.459 ' HG3' ' O ' ' A' ' 5' ' ' GLU . 88.7 mt-10 -62.39 -37.54 86.13 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 177.685 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.3 m -59.59 -44.92 93.2 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 178.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.608 HD11 ' SD ' ' B' ' 8' ' ' MET . 85.5 mt -62.86 -40.77 98.49 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.241 175.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 22.1 mm -61.93 -45.53 98.5 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.54 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.053 -179.358 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -61.38 -44.74 96.64 Favored 'General case' 0 C--N 1.316 -0.863 0 C-N-CA 120.749 -0.38 . . . . 0.0 110.521 -177.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.78 HG21 HD11 ' B' ' 4' ' ' LEU . 74.2 t -63.99 -48.07 87.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 C-N-CA 120.56 -0.456 . . . . 0.0 110.048 177.443 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.535 ' CE2' ' HB2' ' A' ' 28' ' ' LEU . 56.8 t80 -61.09 -48.52 81.31 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.42 0.628 . . . . 0.0 109.892 177.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -60.57 -45.33 94.35 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.968 -1.015 . . . . 0.0 111.219 -175.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.14 -46.72 79.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.308 -0.405 . . . . 0.0 109.975 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.414 ' ND1' ' OE1' ' A' ' 32' ' ' GLU . 87.9 m-70 -67.22 -37.75 84.1 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.994 176.566 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.497 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 25.1 m -56.31 -41.12 75.47 Favored 'General case' 0 CA--C 1.511 -0.52 0 C-N-CA 120.156 -0.618 . . . . 0.0 109.471 177.01 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.51 -36.11 83.26 Favored Glycine 0 N--CA 1.445 -0.737 0 N-CA-C 110.481 -1.048 . . . . 0.0 110.481 178.141 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.5 mmtp -65.08 -47.22 78.03 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -175.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -152.88 -35.45 0.11 Allowed 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 112.616 0.599 . . . . 0.0 112.616 -178.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.5 91.6 0.17 Allowed Glycine 0 CA--C 1.526 0.722 0 C-N-CA 121.585 -0.341 . . . . 0.0 112.75 -172.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.523 ' CG ' ' H ' ' A' ' 25' ' ' LYS . 14.6 t70 37.87 -148.06 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 122.925 0.49 . . . . 0.0 110.288 174.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.523 ' H ' ' CG ' ' A' ' 24' ' ' ASP . 16.1 pttm -93.0 -34.32 13.78 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 169.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.524 ' HB3' ' CE2' ' B' ' 90' ' ' TRP . 0.0 OUTLIER -131.79 92.37 3.13 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.284 165.143 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.605 ' NZ ' ' HB2' ' A' ' 70' ' ' ASP . 30.9 mmtt -164.17 166.19 21.39 Favored 'General case' 0 CA--C 1.497 -1.092 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.339 175.625 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.623 ' CD2' HD23 ' A' ' 33' ' ' LEU . 45.8 tp -125.88 130.18 50.82 Favored 'General case' 0 C--N 1.296 -1.725 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 171.625 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -81.83 156.29 24.95 Favored 'General case' 0 C--N 1.316 -0.875 0 C-N-CA 119.686 -0.805 . . . . 0.0 109.55 -177.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.484 ' NZ ' ' O ' ' A' ' 65' ' ' GLY . 0.7 OUTLIER -69.93 -4.42 20.48 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 177.437 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.42 ' H ' ' HG3' ' A' ' 31' ' ' LYS . 30.9 mttt -79.58 -59.36 2.78 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 178.516 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.426 ' O ' ' HB3' ' A' ' 36' ' ' LEU . 80.6 mm-40 -66.77 -39.01 87.68 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-N 113.69 -1.595 . . . . 0.0 110.215 -179.528 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.694 HD21 HD23 ' A' ' 77' ' ' LEU . 2.8 tm? -59.18 -43.53 92.17 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.204 -171.703 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 50.2 mttp -62.36 -45.52 92.82 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 119.838 -0.745 . . . . 0.0 109.732 -178.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.446 ' HA ' HE21 ' A' ' 38' ' ' GLN . 76.6 mm-40 -72.45 -49.42 33.51 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.075 -177.166 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.52 ' HG ' ' N ' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -63.55 -44.36 94.38 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.817 -0.628 . . . . 0.0 111.484 -179.639 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.585 HD13 ' C ' ' A' ' 37' ' ' LEU . 3.0 tm? -61.98 -46.29 89.89 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 119.962 -0.695 . . . . 0.0 110.837 -177.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.446 HE21 ' HA ' ' A' ' 35' ' ' GLU . 27.4 pt20 -65.67 -40.45 92.41 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 119.611 -0.835 . . . . 0.0 110.393 176.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 97.8 m -62.95 -51.01 68.56 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.039 179.093 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.656 ' HB3' HD12 ' B' ' 4' ' ' LEU . 65.4 mm-40 -72.73 -39.43 66.91 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 120.392 -0.523 . . . . 0.0 112.142 -174.692 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.566 HD22 HD21 ' A' ' 37' ' ' LEU . 11.1 mp -105.57 31.91 4.66 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 111.886 0.328 . . . . 0.0 111.886 -176.447 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 50.6 m -52.57 -40.99 63.18 Favored 'General case' 0 C--N 1.319 -0.76 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.906 -178.271 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -63.17 -46.92 92.1 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.441 -0.664 . . . . 0.0 111.441 179.089 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.429 ' CD2' ' HG2' ' B' ' 5' ' ' GLU . 17.4 m-85 -70.15 -43.23 71.31 Favored 'General case' 0 CA--C 1.5 -0.968 0 CA-C-O 121.391 0.615 . . . . 0.0 109.918 176.667 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 49' ' ' LYS . 49.0 tp -61.15 -47.01 88.2 Favored 'General case' 0 N--CA 1.435 -1.186 0 CA-C-N 115.125 -0.943 . . . . 0.0 111.182 -179.491 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -64.11 -39.16 93.45 Favored 'General case' 0 C--N 1.318 -0.765 0 C-N-CA 120.266 -0.574 . . . . 0.0 110.337 178.207 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.59 ' HB3' ' HG3' ' A' ' 85' ' ' MET . . . -60.86 -35.04 75.58 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.654 -179.134 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.451 HE21 ' C ' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -131.3 41.63 3.3 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.985 -0.286 . . . . 0.0 111.598 179.149 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -65.5 -38.93 91.16 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.854 0.359 . . . . 0.0 110.593 179.772 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.437 ' OD1' ' NZ ' ' A' ' 49' ' ' LYS . 1.0 OUTLIER -98.02 5.34 48.86 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-N 115.832 -0.622 . . . . 0.0 112.419 -176.056 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.625 ' O ' HG12 ' A' ' 54' ' ' VAL . 16.3 t -83.4 120.59 34.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 176.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.515 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 23.6 t70 -48.54 -33.69 10.06 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-O 121.109 0.481 . . . . 0.0 111.18 -176.277 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.494 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -49.64 -33.21 14.83 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.627 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.625 HG12 ' O ' ' A' ' 51' ' ' VAL . 10.0 p -60.88 -46.59 96.08 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 C-N-CA 120.601 -0.44 . . . . 0.0 110.583 -178.476 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -62.27 -40.55 96.59 Favored 'General case' 0 CA--C 1.5 -0.958 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 177.004 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.515 ' NZ ' ' OD2' ' A' ' 52' ' ' ASP . 41.5 mmtm -64.98 -41.23 95.62 Favored 'General case' 0 N--CA 1.439 -1.006 0 CA-C-N 115.226 -0.897 . . . . 0.0 109.826 -178.641 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.572 HG11 ' HG ' ' A' ' 81' ' ' LEU . 54.3 t -60.69 -44.48 97.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 173.795 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.553 ' HG2' ' O ' ' A' ' 54' ' ' VAL . 59.0 mmm -60.21 -41.69 93.54 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.636 0.731 . . . . 0.0 109.661 176.664 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.447 ' NZ ' ' OE2' ' A' ' 63' ' ' GLU . 14.4 tptp -63.73 -47.06 82.61 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 114.671 -1.15 . . . . 0.0 111.265 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -57.53 -45.24 85.29 Favored 'General case' 0 C--O 1.244 0.785 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 179.314 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.788 ' HG ' HD13 ' A' ' 77' ' ' LEU . 3.3 mm? -66.43 -41.08 89.7 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.799 174.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.456 ' OD1' ' NZ ' ' A' ' 30' ' ' LYS . 28.2 t70 -60.84 -37.08 80.82 Favored 'General case' 0 CA--C 1.508 -0.671 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.718 -174.041 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.447 ' OE2' ' NZ ' ' A' ' 59' ' ' LYS . 98.7 mt-10 -62.98 -47.77 81.71 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 179.812 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -64.89 -45.95 83.82 Favored 'General case' 0 CA--C 1.505 -0.781 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.792 172.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.484 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . . . -75.67 53.6 2.86 Favored Glycine 0 CA--C 1.493 -1.327 0 N-CA-C 110.304 -1.119 . . . . 0.0 110.304 -178.455 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -60.5 -39.23 86.98 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 108.466 -0.938 . . . . 0.0 108.466 177.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -126.72 -68.95 0.17 Allowed Glycine 0 C--N 1.318 -0.447 0 N-CA-C 110.202 -1.159 . . . . 0.0 110.202 175.077 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -110.03 162.06 14.91 Favored 'General case' 0 C--N 1.313 -0.995 0 C-N-CA 122.824 0.45 . . . . 0.0 110.004 177.41 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.5 HG13 ' HB3' ' A' ' 28' ' ' LEU . 2.1 p -120.53 130.64 74.25 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.361 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 175.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.613 ' CG ' ' N ' ' A' ' 71' ' ' PHE . 0.1 OUTLIER -92.59 175.11 6.94 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.186 0.517 . . . . 0.0 112.259 -173.55 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.684 ' O ' HG22 ' A' ' 75' ' ' VAL . 59.9 t80 -60.27 -45.3 93.8 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.955 -178.175 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -60.52 -38.64 85.03 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 179.05 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.628 ' O ' HD11 ' A' ' 61' ' ' LEU . 98.1 mt-10 -70.21 -44.89 67.71 Favored 'General case' 0 C--N 1.31 -1.136 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.248 176.032 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 45.1 t80 -60.82 -48.15 83.13 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.887 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 1.004 HG21 ' CB ' ' B' ' 79' ' ' ALA . 17.4 m -61.12 -43.48 96.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 C-N-CA 120.253 -0.579 . . . . 0.0 111.558 -178.112 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.574 ' O ' ' N ' ' A' ' 80' ' ' ALA . 12.7 p -66.57 -34.5 70.49 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.746 0 C-N-CA 120.035 -0.666 . . . . 0.0 110.049 178.19 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.788 HD13 ' HG ' ' A' ' 61' ' ' LEU . 48.9 tp -61.37 -48.7 80.06 Favored 'General case' 0 CA--C 1.512 -0.498 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.442 178.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.494 HG12 HD23 ' A' ' 37' ' ' LEU . 18.6 m -68.59 -42.58 83.53 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.831 0 C-N-CA 119.874 -0.73 . . . . 0.0 110.316 176.4 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.875 ' CB ' HG21 ' B' ' 75' ' ' VAL . . . -61.71 -40.99 97.0 Favored 'General case' 0 CA--C 1.506 -0.727 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.552 177.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.574 ' N ' ' O ' ' A' ' 76' ' ' VAL . . . -57.58 -50.69 72.29 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.584 -178.665 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.572 ' HG ' HG11 ' A' ' 57' ' ' VAL . 93.5 mt -63.19 -40.72 98.32 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.587 174.489 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.416 ' O ' ' HB2' ' A' ' 86' ' ' ASN . 21.1 m -59.42 -50.52 73.63 Favored 'General case' 0 N--CA 1.445 -0.704 0 C-N-CA 120.311 -0.555 . . . . 0.0 110.114 179.337 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.435 HG11 ' HG3' ' B' ' 72' ' ' GLN . 14.0 p -65.44 -43.11 94.65 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 C-N-CA 119.786 -0.766 . . . . 0.0 110.338 176.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.41 -52.53 64.99 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.471 179.049 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.59 ' HG3' ' HB3' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -68.71 -43.64 75.56 Favored 'General case' 0 CA--C 1.516 -0.337 0 C-N-CA 120.485 -0.486 . . . . 0.0 110.511 177.264 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.617 ' ND2' HG13 ' B' ' 12' ' ' ILE . 80.8 m-20 -61.89 -34.4 75.97 Favored 'General case' 0 CA--C 1.489 -1.375 0 C-N-CA 120.306 -0.558 . . . . 0.0 111.35 -179.179 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.562 ' HA ' ' CD1' ' A' ' 90' ' ' TRP . 0.3 OUTLIER -45.22 -38.3 5.3 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 177.906 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.428 ' HB3' ' O ' ' A' ' 85' ' ' MET . 90.2 t80 -61.67 -45.39 94.22 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.731 173.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.577 ' N ' ' O ' ' A' ' 86' ' ' ASN . 10.8 m-85 -61.24 -46.54 89.97 Favored 'General case' 0 C--O 1.219 -0.537 0 N-CA-C 113.656 0.984 . . . . 0.0 113.656 -178.3 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.587 ' CD1' ' O ' ' A' ' 86' ' ' ASN . 2.6 m95 -58.67 -47.08 85.69 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 118.638 -1.225 . . . . 0.0 107.96 -176.716 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 90.8 mt-10 -70.4 -46.41 64.03 Favored 'General case' 0 N--CA 1.441 -0.917 0 CA-C-N 114.551 -1.204 . . . . 0.0 110.512 -178.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.417 ' O ' ' OG ' ' A' ' 93' ' ' SER . 45.2 t30 -96.73 100.09 11.65 Favored 'General case' 0 CA--C 1.508 -0.66 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 175.033 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.417 ' OG ' ' O ' ' A' ' 92' ' ' ASN . 3.8 m . . . . . 0 C--O 1.206 -1.191 0 CA-C-O 118.276 -0.869 . . . . 0.0 109.626 -178.326 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . 0.526 ' H3 ' ' CD ' ' B' ' 5' ' ' GLU . . . . . . . . 0 C--O 1.238 0.349 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 40' ' ' GLU . 70.6 m -72.61 176.52 5.41 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-O 120.924 0.392 . . . . 0.0 111.018 178.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.516 ' H ' ' CD ' ' B' ' 3' ' ' GLU . 50.0 mp0 -55.15 -17.83 4.8 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 175.648 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.78 HD11 HG21 ' A' ' 14' ' ' VAL . 47.2 mt -60.93 -39.91 91.2 Favored 'General case' 0 N--CA 1.438 -1.06 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.195 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.526 ' CD ' ' H3 ' ' B' ' 1' ' ' GLY . 95.8 mt-10 -61.33 -41.78 97.6 Favored 'General case' 0 N--CA 1.445 -0.696 0 C-N-CA 119.289 -0.964 . . . . 0.0 108.852 175.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 7.6 m -61.99 -45.92 91.5 Favored 'General case' 0 C--O 1.239 0.504 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 174.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.61 -47.6 83.82 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.87 177.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . 0.608 ' SD ' HD11 ' A' ' 11' ' ' LEU . 97.0 mmm -64.27 -41.55 96.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.553 176.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.429 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 4.4 mm-40 -60.51 -37.28 80.63 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 174.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 10.6 m -60.45 -44.25 96.04 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 176.384 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.696 HD23 ' CD1' ' A' ' 4' ' ' LEU . 81.2 mt -62.34 -42.38 99.34 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.755 174.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.617 HG13 ' ND2' ' A' ' 86' ' ' ASN . 11.9 mm -62.98 -44.51 99.7 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.611 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 179.693 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . 0.429 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 44.4 m-80 -60.63 -45.46 93.97 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.43 -177.63 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.642 HG21 HD21 ' A' ' 4' ' ' LEU . 38.2 t -64.04 -49.02 83.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.832 176.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.616 ' CE1' ' HB2' ' B' ' 28' ' ' LEU . 65.2 t80 -60.24 -47.48 85.81 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-O 121.611 0.72 . . . . 0.0 109.323 177.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.47 ' CG ' ' CZ3' ' A' ' 90' ' ' TRP . 0.7 OUTLIER -58.68 -43.95 90.11 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 114.744 -1.116 . . . . 0.0 110.561 -178.771 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.473 ' O ' ' HG2' ' B' ' 21' ' ' LYS . . . -54.57 -50.18 68.58 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.703 -179.209 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.506 ' ND1' ' HB3' ' B' ' 32' ' ' GLU . 96.5 m-70 -66.54 -39.09 88.41 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.08 178.572 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 19.9 m -58.39 -41.6 85.2 Favored 'General case' 0 CA--C 1.513 -0.445 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 174.071 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.4 -34.31 87.82 Favored Glycine 0 N--CA 1.446 -0.672 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 177.037 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.473 ' HG2' ' O ' ' B' ' 17' ' ' ALA . 25.5 mmtp -65.26 -49.54 69.2 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 120.142 -0.623 . . . . 0.0 110.456 -178.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' B' ' 24' ' ' ASP . 76.7 mt-10 -156.2 -29.19 0.1 Allowed 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.84 -179.173 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . 0.458 ' HA3' ' O ' ' B' ' 27' ' ' LYS . . . -60.81 70.2 0.01 OUTLIER Glycine 0 CA--C 1.527 0.843 0 CA-C-N 116.338 -0.392 . . . . 0.0 112.727 -171.446 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.574 ' CG ' ' H ' ' B' ' 25' ' ' LYS . 23.3 t70 36.28 -154.7 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.927 0.891 . . . . 0.0 111.785 178.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.574 ' H ' ' CG ' ' B' ' 24' ' ' ASP . 0.0 OUTLIER -64.25 -47.02 81.2 Favored 'General case' 0 CA--C 1.493 -1.214 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 -178.788 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.408 ' O ' ' HG2' ' B' ' 27' ' ' LYS . 0.0 OUTLIER -151.77 93.09 1.81 Allowed 'General case' 0 N--CA 1.43 -1.462 0 CA-C-N 114.979 -1.009 . . . . 0.0 110.526 172.733 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.458 ' O ' ' HA3' ' B' ' 23' ' ' GLY . 22.9 mmmt -158.36 169.61 24.08 Favored 'General case' 0 C--N 1.317 -0.848 0 C-N-CA 124.558 1.143 . . . . 0.0 108.169 174.261 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.616 ' HB2' ' CE1' ' B' ' 15' ' ' PHE . 45.9 tp -124.97 123.44 39.89 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 110.466 -0.198 . . . . 0.0 110.466 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 12.8 p -79.61 160.17 26.49 Favored 'General case' 0 C--O 1.241 0.651 0 CA-C-O 120.718 0.294 . . . . 0.0 111.43 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.517 ' NZ ' ' O ' ' B' ' 62' ' ' ASP . 0.2 OUTLIER -74.13 -8.61 56.77 Favored 'General case' 0 CA--C 1.511 -0.553 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 176.717 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -65.5 -42.63 91.93 Favored 'General case' 0 CA--C 1.496 -1.099 0 N-CA-C 106.85 -1.537 . . . . 0.0 106.85 177.104 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.515 ' O ' ' HB3' ' B' ' 36' ' ' LEU . 61.1 mm-40 -100.39 -41.91 6.83 Favored 'General case' 0 N--CA 1.423 -1.814 0 CA-C-N 112.226 -2.261 . . . . 0.0 110.146 -171.235 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.619 HD21 HD23 ' B' ' 77' ' ' LEU . 2.6 tm? -57.66 -45.78 85.1 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.176 -172.334 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.481 ' NZ ' ' OD1' ' B' ' 62' ' ' ASP . 67.8 mttm -63.76 -43.88 95.12 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 120.15 -0.62 . . . . 0.0 110.448 178.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -69.21 -49.35 57.26 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.489 -179.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.535 ' O ' HD12 ' B' ' 36' ' ' LEU . 0.1 OUTLIER -62.56 -46.49 88.12 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.823 -0.626 . . . . 0.0 112.447 -179.394 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.585 HD13 ' C ' ' B' ' 37' ' ' LEU . 3.0 tm? -61.92 -47.55 84.44 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 119.766 -0.773 . . . . 0.0 111.291 -174.42 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -65.91 -41.34 91.57 Favored 'General case' 0 C--N 1.318 -0.784 0 C-N-CA 120.189 -0.605 . . . . 0.0 110.236 177.36 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 96.6 m -63.32 -50.92 68.12 Favored 'General case' 0 N--CA 1.441 -0.896 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.576 -179.469 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.412 ' CG ' HD12 ' B' ' 36' ' ' LEU . 79.1 mm-40 -73.11 -41.05 64.45 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -177.588 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.434 HD21 ' HB ' ' B' ' 78' ' ' VAL . 9.8 mp -105.39 33.98 3.45 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.32 -176.117 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 18.3 m -51.94 -40.89 61.53 Favored 'General case' 0 C--N 1.314 -0.951 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.719 -177.442 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . 0.405 ' N ' ' OE2' ' A' ' 5' ' ' GLU . . . -66.66 -48.32 62.88 Favored Glycine 0 C--N 1.32 -0.313 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 178.219 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.6 ' CD1' ' SD ' ' B' ' 85' ' ' MET . 41.8 m-85 -65.57 -41.48 92.87 Favored 'General case' 0 CA--C 1.508 -0.667 0 CA-C-O 121.02 0.438 . . . . 0.0 110.525 177.449 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.54 ' O ' ' HB2' ' B' ' 49' ' ' LYS . 8.0 tp -60.37 -50.67 72.68 Favored 'General case' 0 C--N 1.309 -1.165 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.719 176.185 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -66.79 -42.32 86.19 Favored 'General case' 0 C--N 1.313 -1.018 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 176.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . 0.508 ' CB ' ' SD ' ' B' ' 85' ' ' MET . . . -56.39 -47.97 77.85 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.51 -176.371 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -116.5 28.47 8.55 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 179.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.54 ' HB2' ' O ' ' B' ' 45' ' ' LEU . 58.2 tttm -60.06 -45.87 91.45 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.291 0.567 . . . . 0.0 109.725 179.42 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -68.02 -18.19 64.63 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.652 -178.418 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . 0.567 ' O ' ' N ' ' B' ' 53' ' ' ALA . 47.8 t -65.74 -0.6 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.927 0 CA-C-N 116.284 -0.417 . . . . 0.0 112.108 -174.276 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.9 t70 63.24 -46.01 0.22 Allowed 'General case' 0 N--CA 1.475 0.788 0 CA-C-O 120.764 0.316 . . . . 0.0 111.202 179.12 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.567 ' N ' ' O ' ' B' ' 51' ' ' VAL . . . -51.64 -26.1 8.34 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.977 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.548 HG23 HD22 ' B' ' 81' ' ' LEU . 8.8 p -58.04 -44.63 87.5 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.711 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 177.536 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.468 ' OD2' ' NZ ' ' B' ' 59' ' ' LYS . 35.0 t70 -62.91 -44.81 95.09 Favored 'General case' 0 CA--C 1.496 -1.113 0 CA-C-O 121.483 0.658 . . . . 0.0 109.593 173.532 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 12.9 mmtp -63.2 -44.24 95.93 Favored 'General case' 0 C--N 1.308 -1.225 0 CA-C-N 114.857 -1.065 . . . . 0.0 109.973 -172.162 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.759 HG12 HD12 ' B' ' 77' ' ' LEU . 85.2 t -64.73 -46.44 92.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-O 121.378 0.609 . . . . 0.0 109.362 176.495 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . 0.555 ' HG3' ' N ' ' B' ' 59' ' ' LYS . 0.0 OUTLIER -63.11 -34.64 78.04 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.397 178.902 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . 0.555 ' N ' ' HG3' ' B' ' 58' ' ' MET . 0.2 OUTLIER -58.78 -43.64 90.49 Favored 'General case' 0 CA--C 1.5 -0.977 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.931 -176.038 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -60.26 -44.46 95.27 Favored 'General case' 0 C--N 1.31 -1.114 0 C-N-CA 120.182 -0.607 . . . . 0.0 109.518 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.774 ' HG ' HD22 ' B' ' 77' ' ' LEU . 3.4 mm? -62.95 -42.81 99.93 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.158 174.568 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.517 ' O ' ' NZ ' ' B' ' 30' ' ' LYS . 13.8 t70 -59.92 -47.19 86.79 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 115.657 -0.702 . . . . 0.0 109.709 -179.401 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -66.6 -51.34 57.46 Favored 'General case' 0 CA--C 1.512 -0.487 0 CA-C-O 121.136 0.493 . . . . 0.0 110.618 178.09 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . 0.495 ' O ' ' N ' ' B' ' 66' ' ' ASP . 35.9 m-80 -63.66 -41.87 98.16 Favored 'General case' 0 CA--C 1.5 -0.948 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.265 -176.306 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.458 ' HA3' ' CE ' ' B' ' 30' ' ' LYS . . . -68.37 54.61 0.45 Allowed Glycine 0 N--CA 1.444 -0.786 0 N-CA-C 110.701 -0.96 . . . . 0.0 110.701 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.495 ' N ' ' O ' ' B' ' 64' ' ' ASN . 34.4 t70 -60.93 -37.47 82.41 Favored 'General case' 0 CA--C 1.505 -0.77 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 177.38 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -116.16 -68.12 0.41 Allowed Glycine 0 C--N 1.312 -0.76 0 N-CA-C 109.053 -1.619 . . . . 0.0 109.053 172.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.448 ' CB ' ' HB3' ' B' ' 27' ' ' LYS . 13.1 mp0 -138.27 165.72 25.99 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.085 0.469 . . . . 0.0 110.882 176.079 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.547 HG21 HD12 ' B' ' 61' ' ' LEU . 1.3 m -111.57 139.14 37.22 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.082 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 173.215 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.455 ' HB3' ' NZ ' ' B' ' 27' ' ' LYS . 0.0 OUTLIER -91.81 177.23 6.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 121.946 -0.471 . . . . 0.0 110.965 -173.213 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.636 ' O ' HG22 ' B' ' 75' ' ' VAL . 58.5 t80 -60.76 -45.05 95.83 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 -178.414 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.435 ' HG3' HG11 ' A' ' 83' ' ' VAL . 25.4 mt-30 -60.88 -38.75 86.73 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.424 175.346 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.442 ' OE1' ' N ' ' B' ' 70' ' ' ASP . 48.0 mt-10 -66.6 -45.06 80.43 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 175.032 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -62.63 -48.51 79.06 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 115.644 -0.707 . . . . 0.0 112.852 -179.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.875 HG21 ' CB ' ' A' ' 79' ' ' ALA . 18.0 m -63.02 -42.31 96.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 C-N-CA 120.208 -0.597 . . . . 0.0 112.489 -175.484 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 11.0 p -63.77 -37.48 79.81 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 C-N-CA 120.124 -0.631 . . . . 0.0 110.228 178.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.774 HD22 ' HG ' ' B' ' 61' ' ' LEU . 47.2 tp -60.73 -49.21 78.42 Favored 'General case' 0 CA--C 1.511 -0.543 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.887 179.57 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.556 HG12 HD23 ' B' ' 37' ' ' LEU . 17.2 m -67.58 -43.2 87.17 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 C-N-CA 119.485 -0.886 . . . . 0.0 110.504 177.343 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 1.004 ' CB ' HG21 ' A' ' 75' ' ' VAL . . . -63.61 -43.85 95.66 Favored 'General case' 0 CA--C 1.509 -0.612 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.902 -179.606 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . 0.651 ' HB3' HG11 ' B' ' 57' ' ' VAL . . . -61.98 -42.49 99.19 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 120.267 -0.573 . . . . 0.0 109.71 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.548 HD22 HG23 ' B' ' 54' ' ' VAL . 96.0 mt -63.73 -40.96 98.02 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 174.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.467 ' HA ' ' CD1' ' B' ' 44' ' ' PHE . 21.1 m -61.32 -49.14 78.2 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.605 176.501 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.531 HG12 ' O ' ' B' ' 80' ' ' ALA . 0.3 OUTLIER -63.29 -40.52 89.37 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 179.768 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.73 -51.73 66.33 Favored 'General case' 0 CA--C 1.519 -0.249 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 177.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 85' ' ' MET . . . . . 0.6 ' SD ' ' CD1' ' B' ' 44' ' ' PHE . 26.9 ttt -66.31 -42.28 88.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.256 0.551 . . . . 0.0 110.322 175.725 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.525 ' O ' ' N ' ' B' ' 89' ' ' PHE . 17.1 t30 -59.41 -26.33 65.06 Favored 'General case' 0 CA--C 1.501 -0.938 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.847 -174.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 35.8 t-20 -47.71 -38.59 15.55 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 177.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.425 ' O ' ' ND2' ' B' ' 92' ' ' ASN . 65.7 t80 -59.45 -46.36 88.99 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.872 172.805 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . 0.525 ' N ' ' O ' ' B' ' 86' ' ' ASN . 10.2 m-85 -60.02 -48.75 80.42 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 -172.682 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . 0.524 ' CE2' ' HB3' ' A' ' 26' ' ' TYR . 2.3 m95 -59.6 -44.37 93.4 Favored 'General case' 0 CA--C 1.507 -0.679 0 C-N-CA 119.064 -1.054 . . . . 0.0 109.559 -171.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -82.15 -44.84 15.94 Favored 'General case' 0 C--N 1.308 -1.201 0 CA-C-N 114.748 -1.114 . . . . 0.0 111.136 -176.079 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . 0.425 ' ND2' ' O ' ' B' ' 88' ' ' PHE . 51.6 m-80 -72.1 106.99 4.55 Favored 'General case' 0 CA--C 1.504 -0.798 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 177.747 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 6.4 m . . . . . 0 C--O 1.203 -1.372 0 CA-C-N 115.382 -0.826 . . . . 0.0 109.81 -174.499 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.645 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 m -72.78 161.13 31.12 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.553 0.216 . . . . 0.0 110.724 -178.251 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 7' ' ' ALA . 55.9 mp0 -60.65 -41.14 94.38 Favored 'General case' 0 CA--C 1.496 -1.097 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 175.777 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.773 ' CD1' HD23 ' B' ' 11' ' ' LEU . 2.7 mm? -61.75 -42.86 99.53 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-N 114.951 -1.022 . . . . 0.0 108.556 -179.087 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -65.52 -44.31 87.33 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-N 115.072 -0.967 . . . . 0.0 109.242 175.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.473 ' O ' ' N ' ' A' ' 10' ' ' THR . 10.8 m -60.98 -45.83 93.21 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.471 177.158 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.595 ' HB1' ' HB1' ' B' ' 7' ' ' ALA . . . -56.74 -48.86 76.85 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.504 179.08 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.487 ' HG2' ' O ' ' A' ' 4' ' ' LEU . 93.2 mmm -64.51 -41.45 96.41 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 -179.62 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 55.8 mm-40 -62.93 -36.67 84.17 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.802 174.596 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.473 ' N ' ' O ' ' A' ' 6' ' ' THR . 7.4 m -59.97 -45.02 94.04 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 176.728 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.68 HD23 HD22 ' B' ' 4' ' ' LEU . 85.2 mt -62.69 -39.81 95.13 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.149 177.228 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.46 HD13 ' CD1' ' A' ' 71' ' ' PHE . 19.5 mm -61.44 -43.84 97.47 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.777 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 -178.798 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 30.3 m-80 -59.83 -44.23 94.17 Favored 'General case' 0 C--N 1.313 -0.993 0 C-N-CA 120.206 -0.598 . . . . 0.0 110.365 -176.161 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 1.064 HG21 HD11 ' B' ' 4' ' ' LEU . 99.2 t -64.38 -48.65 84.37 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 C-N-CA 120.289 -0.564 . . . . 0.0 110.325 175.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.424 ' CE1' ' HB2' ' A' ' 28' ' ' LEU . 68.3 t80 -59.79 -48.26 82.39 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.663 0.744 . . . . 0.0 109.611 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.612 ' ND1' ' O ' ' A' ' 25' ' ' LYS . 5.2 t60 -61.55 -45.53 93.78 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 114.534 -1.212 . . . . 0.0 110.145 178.266 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.93 -49.51 76.52 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.511 178.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 66.4 m-70 -65.54 -37.8 87.78 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.071 177.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.499 ' HB3' ' H ' ' A' ' 27' ' ' LYS . 25.3 m -54.09 -44.02 70.86 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 178.457 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.46 -34.98 91.05 Favored Glycine 0 N--CA 1.444 -0.799 0 N-CA-C 110.671 -0.972 . . . . 0.0 110.671 177.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -63.09 -47.03 84.62 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 179.316 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.551 ' CD ' ' H ' ' A' ' 29' ' ' SER . 99.3 mt-10 -70.66 -40.75 72.81 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.481 -0.488 . . . . 0.0 110.551 177.341 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 146.33 -27.45 1.68 Allowed Glycine 0 CA--C 1.529 0.95 0 C-N-CA 121.145 -0.55 . . . . 0.0 112.69 176.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -75.75 152.41 37.41 Favored 'General case' 0 C--N 1.32 -0.716 0 O-C-N 122.196 -0.591 . . . . 0.0 110.879 -177.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.612 ' O ' ' ND1' ' A' ' 16' ' ' HIS . 0.0 OUTLIER -66.05 -45.14 82.45 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 171.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.409 ' O ' ' HG2' ' A' ' 27' ' ' LYS . 14.1 p90 -150.01 92.5 1.9 Allowed 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.463 172.146 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.499 ' H ' ' HB3' ' A' ' 19' ' ' SER . 3.4 mmmm -161.52 154.06 20.23 Favored 'General case' 0 CA--C 1.498 -1.026 0 N-CA-C 106.332 -1.729 . . . . 0.0 106.332 167.662 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.695 HD11 ' HB2' ' A' ' 32' ' ' GLU . 31.6 tp -131.27 141.21 49.95 Favored 'General case' 0 C--N 1.3 -1.583 0 C-N-CA 120.013 -0.675 . . . . 0.0 110.031 179.48 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.551 ' H ' ' CD ' ' A' ' 22' ' ' GLU . 3.1 m -104.26 158.44 16.45 Favored 'General case' 0 C--N 1.308 -1.214 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 176.359 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.524 ' CE ' ' HB ' ' A' ' 69' ' ' VAL . 2.4 mmtm -67.73 -7.09 24.41 Favored 'General case' 0 C--N 1.314 -0.969 0 C-N-CA 119.598 -0.841 . . . . 0.0 112.343 -172.313 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.466 ' HD2' ' HG2' ' A' ' 22' ' ' GLU . 1.6 ptpm? -66.58 -51.99 50.42 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.768 0.318 . . . . 0.0 110.557 176.418 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.695 ' HB2' HD11 ' A' ' 28' ' ' LEU . 71.5 mm-40 -70.44 -35.86 73.61 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.435 176.464 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.875 HD11 ' CD2' ' A' ' 77' ' ' LEU . 3.4 tm? -58.2 -44.17 87.95 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.23 -170.232 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -62.71 -45.51 92.43 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 119.656 -0.818 . . . . 0.0 110.152 178.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.44 ' O ' ' OG1' ' A' ' 39' ' ' THR . 98.7 mt-10 -67.28 -42.9 83.04 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.664 0.745 . . . . 0.0 109.622 178.678 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 32' ' ' GLU . 31.1 tp -61.0 -48.48 81.61 Favored 'General case' 0 C--N 1.305 -1.342 0 CA-C-N 114.631 -1.168 . . . . 0.0 112.005 -179.663 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.651 HD12 HD21 ' A' ' 77' ' ' LEU . 0.1 OUTLIER -62.43 -49.81 73.98 Favored 'General case' 0 C--N 1.318 -0.765 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.824 -176.174 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.436 ' HA ' HD22 ' A' ' 45' ' ' LEU . 16.0 pt20 -64.4 -41.89 96.39 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.199 0.523 . . . . 0.0 110.724 179.231 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.44 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 79.5 m -62.67 -52.06 64.8 Favored 'General case' 0 N--CA 1.439 -1.001 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.703 -177.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -76.46 -39.1 54.26 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 120.04 -0.664 . . . . 0.0 112.718 -176.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.8 mp -99.95 40.49 1.23 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.435 0.16 . . . . 0.0 110.958 -179.486 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 51.3 m -59.42 -40.93 88.3 Favored 'General case' 0 C--N 1.315 -0.919 0 C-N-CA 119.196 -1.001 . . . . 0.0 111.015 -178.04 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.06 -43.6 95.5 Favored Glycine 0 CA--C 1.527 0.825 0 N-CA-C 111.312 -0.715 . . . . 0.0 111.312 177.435 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -68.87 -43.24 75.77 Favored 'General case' 0 CA--C 1.509 -0.627 0 CA-C-O 121.059 0.457 . . . . 0.0 110.407 176.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.436 HD22 ' HA ' ' A' ' 38' ' ' GLN . 46.7 tp -60.95 -42.99 99.32 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.207 175.55 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.539 ' OD1' ' NZ ' ' A' ' 49' ' ' LYS . 30.3 t70 -61.55 -38.04 86.0 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.924 176.651 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.22 -43.31 70.92 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.685 179.235 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.541 ' O ' HG11 ' A' ' 54' ' ' VAL . 0.0 OUTLIER -115.31 58.23 0.72 Allowed 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 120.658 0.266 . . . . 0.0 111.281 -179.248 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.539 ' NZ ' ' OD1' ' A' ' 46' ' ' ASP . 50.4 mttp -65.23 -44.27 88.8 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 121.046 0.451 . . . . 0.0 109.907 178.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -113.88 2.36 15.06 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.196 -0.911 . . . . 0.0 113.277 -172.376 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.804 ' O ' HG12 ' A' ' 54' ' ' VAL . 62.9 t -59.8 137.37 22.31 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.895 0 C-N-CA 120.323 -0.551 . . . . 0.0 110.102 -178.559 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -55.62 -44.45 77.08 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.215 0.531 . . . . 0.0 110.108 -177.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.59 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -58.83 -39.51 81.45 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.539 -0.755 . . . . 0.0 112.243 -176.167 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.804 HG12 ' O ' ' A' ' 51' ' ' VAL . 7.6 p -59.07 -45.11 92.65 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 C-N-CA 119.018 -1.073 . . . . 0.0 111.511 -175.214 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.487 ' O ' ' N ' ' A' ' 59' ' ' LYS . 28.6 t70 -61.52 -42.83 99.4 Favored 'General case' 0 CA--C 1.496 -1.118 0 C-N-CA 119.781 -0.768 . . . . 0.0 109.727 177.737 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.1 mmtp -63.03 -43.42 98.76 Favored 'General case' 0 C--N 1.318 -0.79 0 C-N-CA 120.347 -0.541 . . . . 0.0 109.86 -178.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.722 HG12 HD12 ' A' ' 77' ' ' LEU . 80.1 t -64.48 -43.98 96.94 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.917 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 178.798 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 19.7 mmm -61.09 -40.6 94.34 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 176.224 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.532 ' O ' ' HG2' ' A' ' 63' ' ' GLU . 22.7 tptp -65.96 -46.49 77.92 Favored 'General case' 0 N--CA 1.434 -1.266 0 CA-C-N 114.861 -1.063 . . . . 0.0 110.224 -176.374 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -58.98 -40.71 85.63 Favored 'General case' 0 CA--C 1.516 -0.351 0 C-N-CA 119.924 -0.71 . . . . 0.0 111.013 179.112 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.74 ' HG ' HD13 ' A' ' 77' ' ' LEU . 1.7 mm? -62.13 -41.4 98.22 Favored 'General case' 0 C--N 1.313 -0.993 0 C-N-CA 119.854 -0.738 . . . . 0.0 109.29 174.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -65.26 -41.55 94.17 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.346 176.058 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.532 ' HG2' ' O ' ' A' ' 59' ' ' LYS . 64.3 mm-40 -61.04 -41.26 96.24 Favored 'General case' 0 CA--C 1.513 -0.442 0 N-CA-C 107.385 -1.339 . . . . 0.0 107.385 176.323 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.434 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . 12.0 t-20 -86.62 30.94 0.69 Allowed 'General case' 0 N--CA 1.443 -0.79 0 CA-C-N 114.946 -1.025 . . . . 0.0 110.366 174.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.418 ' HA2' ' HG3' ' A' ' 30' ' ' LYS . . . -94.03 20.39 47.8 Favored Glycine 0 N--CA 1.461 0.308 0 N-CA-C 109.024 -1.63 . . . . 0.0 109.024 176.77 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -60.46 -44.65 95.67 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.062 -0.569 . . . . 0.0 110.465 -175.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -125.52 -76.99 0.27 Allowed Glycine 0 C--O 1.241 0.534 0 N-CA-C 111.521 -0.632 . . . . 0.0 111.521 -178.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.475 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 2.1 mp0 -139.15 -163.45 1.48 Allowed 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 -179.031 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.686 HG23 ' HB2' ' A' ' 73' ' ' GLU . 1.8 p -133.7 129.8 55.58 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.232 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 170.111 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.0 -176.74 3.33 Favored 'General case' 0 C--N 1.31 -1.115 0 C-N-CA 119.988 -0.685 . . . . 0.0 111.003 -178.509 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.528 ' O ' HG13 ' A' ' 75' ' ' VAL . 53.1 t80 -60.54 -43.35 97.27 Favored 'General case' 0 C--N 1.302 -1.457 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.714 179.761 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -60.86 -43.55 98.23 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.026 179.268 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.686 ' HB2' HG23 ' A' ' 69' ' ' VAL . 82.4 mt-10 -65.38 -40.72 93.86 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 119.87 -0.732 . . . . 0.0 109.727 174.691 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.457 ' OH ' HD13 ' B' ' 4' ' ' LEU . 32.7 t80 -60.76 -48.63 80.91 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.008 -178.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.768 HG21 ' CB ' ' B' ' 79' ' ' ALA . 5.4 m -65.32 -42.89 94.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 C-N-CA 119.5 -0.88 . . . . 0.0 111.625 178.375 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.443 HG12 ' O ' ' A' ' 73' ' ' GLU . 0.8 OUTLIER -64.07 -39.49 85.65 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 C-N-CA 120.335 -0.546 . . . . 0.0 110.096 -177.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.875 ' CD2' HD11 ' A' ' 33' ' ' LEU . 49.8 tp -61.2 -49.55 76.72 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.953 178.686 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 17.1 m -70.89 -42.91 77.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 C-N-CA 119.835 -0.746 . . . . 0.0 110.878 177.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.878 ' CB ' HG21 ' B' ' 75' ' ' VAL . . . -61.08 -46.12 91.96 Favored 'General case' 0 CA--C 1.503 -0.85 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.086 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -54.75 -48.7 72.27 Favored 'General case' 0 CA--C 1.511 -0.545 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.484 HD11 HD11 ' A' ' 37' ' ' LEU . 95.7 mt -63.25 -41.31 99.05 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.896 175.747 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 16.3 m -61.72 -50.48 72.27 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.56 -0.456 . . . . 0.0 110.495 -179.441 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.474 HG11 ' HG3' ' B' ' 72' ' ' GLN . 10.7 p -63.7 -43.64 98.13 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 C-N-CA 120.174 -0.61 . . . . 0.0 110.263 177.714 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.88 -49.09 79.07 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.283 176.352 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 9.5 tpt -67.89 -46.15 72.44 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.535 -0.466 . . . . 0.0 111.125 178.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.478 ' ND2' HG21 ' B' ' 12' ' ' ILE . 4.2 m120 -61.36 -27.72 68.71 Favored 'General case' 0 CA--C 1.503 -0.86 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.376 -179.514 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.403 ' OD1' ' CE2' ' B' ' 26' ' ' TYR . 37.8 t30 -57.94 -40.06 79.56 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 177.206 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.408 ' O ' ' CB ' ' A' ' 92' ' ' ASN . 69.5 m-85 -63.19 -39.49 94.8 Favored 'General case' 0 C--O 1.22 -0.454 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.663 174.79 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.452 ' CD2' ' HA ' ' A' ' 86' ' ' ASN . 14.0 m-30 -55.49 -51.18 67.84 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.871 -175.721 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 44.5 m95 -74.81 -44.0 51.68 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.337 -176.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -67.41 -40.47 85.57 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.699 179.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.408 ' CB ' ' O ' ' A' ' 88' ' ' PHE . 21.0 t-20 -66.65 106.99 1.97 Allowed 'General case' 0 CA--C 1.507 -0.689 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 179.296 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 15.1 m . . . . . 0 C--O 1.206 -1.212 0 CA-C-O 118.177 -0.916 . . . . 0.0 109.66 -173.743 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.241 0.557 0 N-CA-C 111.288 -0.725 . . . . 0.0 111.288 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . 0.432 ' O ' ' N ' ' B' ' 5' ' ' GLU . 4.0 m -62.84 149.82 43.29 Favored 'General case' 0 C--N 1.314 -0.956 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 177.801 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.438 ' OE1' ' N ' ' B' ' 3' ' ' GLU . 3.2 mp0 -53.15 -28.0 23.95 Favored 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 179.515 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 1.064 HD11 HG21 ' A' ' 14' ' ' VAL . 41.2 mt -62.25 -41.68 98.65 Favored 'General case' 0 N--CA 1.439 -0.976 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.387 176.441 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' B' ' 2' ' ' SER . 47.3 mt-10 -62.76 -42.99 99.94 Favored 'General case' 0 N--CA 1.443 -0.808 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 177.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.409 ' O ' ' N ' ' B' ' 10' ' ' THR . 7.0 m -61.92 -45.08 95.27 Favored 'General case' 0 C--O 1.242 0.685 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 172.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.595 ' HB1' ' HB1' ' A' ' 7' ' ' ALA . . . -58.0 -45.76 86.31 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.923 179.454 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . 0.512 ' SD ' HD12 ' B' ' 11' ' ' LEU . 94.8 mmm -64.13 -40.98 97.34 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.943 -0.392 . . . . 0.0 109.943 178.348 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.82 -37.87 89.07 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 119.745 -0.782 . . . . 0.0 109.624 174.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.409 ' N ' ' O ' ' B' ' 6' ' ' THR . 10.1 m -59.39 -43.38 92.94 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 175.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.773 HD23 ' CD1' ' A' ' 4' ' ' LEU . 84.2 mt -62.11 -41.74 98.53 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.92 174.766 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.478 HG21 ' ND2' ' A' ' 86' ' ' ASN . 23.4 mm -62.15 -43.79 98.27 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.633 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 179.19 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 40.0 m-80 -60.16 -44.05 95.32 Favored 'General case' 0 CA--C 1.505 -0.758 0 C-N-CA 120.435 -0.506 . . . . 0.0 111.387 -173.529 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.543 HG21 HD21 ' A' ' 4' ' ' LEU . 93.1 t -63.76 -48.84 84.65 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.914 0 C-N-CA 119.975 -0.69 . . . . 0.0 109.688 175.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.516 ' CE1' ' HB2' ' B' ' 28' ' ' LEU . 70.1 t80 -59.89 -49.55 77.27 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.236 179.465 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.481 ' ND1' ' O ' ' B' ' 25' ' ' LYS . 23.5 t60 -67.08 -42.76 84.11 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.97 178.284 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.491 ' O ' ' HG2' ' B' ' 21' ' ' LYS . . . -60.17 -49.43 77.67 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 176.612 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 78.8 m-70 -64.88 -35.15 80.2 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.862 176.306 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 21.9 m -56.51 -44.48 80.76 Favored 'General case' 0 C--O 1.243 0.721 0 N-CA-C 107.508 -1.293 . . . . 0.0 107.508 172.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.78 -41.26 99.88 Favored Glycine 0 C--O 1.242 0.594 0 CA-C-N 114.802 -1.09 . . . . 0.0 110.777 176.023 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.491 ' HG2' ' O ' ' B' ' 17' ' ' ALA . 74.5 mmtt -61.99 -47.2 85.85 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.622 -0.511 . . . . 0.0 109.622 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.579 ' CD ' ' H ' ' B' ' 29' ' ' SER . 98.8 mt-10 -72.87 -48.95 33.1 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.857 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 158.01 -45.55 0.47 Allowed Glycine 0 CA--C 1.532 1.108 0 C-N-CA 120.346 -0.931 . . . . 0.0 113.157 -178.067 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -66.42 147.28 53.53 Favored 'General case' 0 N--CA 1.478 0.966 0 CA-C-N 117.671 0.736 . . . . 0.0 111.153 -176.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.544 ' NZ ' ' CZ ' ' B' ' 26' ' ' TYR . 16.2 pttp -63.48 -37.39 87.11 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 120.518 -0.473 . . . . 0.0 110.072 176.282 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.544 ' CZ ' ' NZ ' ' B' ' 25' ' ' LYS . 2.8 p90 -158.23 92.04 1.14 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.064 169.57 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.515 ' HG2' ' O ' ' B' ' 26' ' ' TYR . 6.5 mmmm -163.7 157.4 19.13 Favored 'General case' 0 CA--C 1.495 -1.173 0 N-CA-C 106.159 -1.793 . . . . 0.0 106.159 168.134 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.516 ' HB2' ' CE1' ' B' ' 15' ' ' PHE . 38.5 tp -123.55 135.58 54.08 Favored 'General case' 0 C--N 1.292 -1.926 0 C-N-CA 119.987 -0.685 . . . . 0.0 109.847 -179.463 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.579 ' H ' ' CD ' ' B' ' 22' ' ' GLU . 2.1 m -102.54 177.47 4.85 Favored 'General case' 0 C--N 1.294 -1.838 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 178.756 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.408 ' HZ2' ' HG3' ' B' ' 30' ' ' LYS . 0.0 OUTLIER -76.03 -3.56 36.44 Favored 'General case' 0 C--N 1.304 -1.37 0 C-N-CA 120.047 -0.661 . . . . 0.0 109.312 177.296 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.437 ' HG3' ' HB2' ' B' ' 29' ' ' SER . 61.8 mttm -61.29 -45.35 94.84 Favored 'General case' 0 CA--C 1.51 -0.593 0 N-CA-C 108.183 -1.044 . . . . 0.0 108.183 -178.158 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.497 ' HB2' HD11 ' B' ' 28' ' ' LEU . 63.3 mm-40 -111.32 -28.94 8.01 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-N 114.236 -1.347 . . . . 0.0 111.559 -173.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.619 HD21 HD23 ' B' ' 77' ' ' LEU . 2.3 tm? -57.91 -50.75 72.28 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.517 -0.473 . . . . 0.0 111.63 -170.341 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 17.2 pttp -68.16 -39.67 82.52 Favored 'General case' 0 C--N 1.315 -0.928 0 C-N-CA 119.869 -0.733 . . . . 0.0 110.655 178.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -67.87 -43.88 78.36 Favored 'General case' 0 C--O 1.24 0.579 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.67 -179.405 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.603 HD12 ' C ' ' B' ' 36' ' ' LEU . 0.5 OUTLIER -78.91 -38.32 37.74 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.053 -0.522 . . . . 0.0 112.202 -178.221 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.679 HD21 HD22 ' B' ' 41' ' ' LEU . 2.3 tm? -59.62 -46.27 89.47 Favored 'General case' 0 CA--C 1.512 -0.484 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.005 -176.162 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.65 ' HB2' HD22 ' B' ' 45' ' ' LEU . 15.1 pt20 -63.07 -41.84 99.54 Favored 'General case' 0 C--N 1.316 -0.869 0 C-N-CA 119.921 -0.712 . . . . 0.0 109.468 175.443 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.459 ' N ' ' HG3' ' B' ' 38' ' ' GLN . 93.1 m -65.44 -53.16 46.79 Favored 'General case' 0 N--CA 1.437 -1.083 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.85 -176.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -69.78 -41.61 74.9 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -177.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.679 HD22 HD21 ' B' ' 37' ' ' LEU . 11.1 mp -95.45 37.57 1.18 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.13 0.491 . . . . 0.0 110.133 179.601 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -55.91 -34.56 65.69 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.652 -0.703 . . . . 0.0 111.569 -177.537 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.31 -51.8 35.47 Favored Glycine 0 C--O 1.242 0.648 0 N-CA-C 110.75 -0.94 . . . . 0.0 110.75 176.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.493 ' O ' ' HG2' ' B' ' 48' ' ' GLN . 44.2 m-85 -65.79 -41.58 91.8 Favored 'General case' 0 CA--C 1.494 -1.21 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 177.226 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.658 ' O ' HD12 ' B' ' 45' ' ' LEU . 1.4 tp -54.32 -46.54 72.87 Favored 'General case' 0 CA--C 1.499 -0.987 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.303 -177.269 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.59 ' O ' ' NZ ' ' B' ' 49' ' ' LYS . 13.0 t70 -60.79 -45.22 95.23 Favored 'General case' 0 C--N 1.3 -1.575 0 C-N-CA 119.852 -0.739 . . . . 0.0 111.022 176.167 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.37 -39.74 92.66 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 -179.466 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.78 HE22 HG21 ' B' ' 54' ' ' VAL . 0.0 OUTLIER -78.85 -5.95 54.81 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 -174.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.59 ' NZ ' ' O ' ' B' ' 46' ' ' ASP . 5.6 mtmp? -58.49 -41.62 85.73 Favored 'General case' 0 CA--C 1.516 -0.346 0 C-N-CA 119.538 -0.865 . . . . 0.0 109.953 -177.238 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -95.18 16.37 16.7 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.764 -177.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . 0.565 ' C ' ' H ' ' B' ' 53' ' ' ALA . 22.7 t -109.38 -15.56 9.48 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 N-CA-C 111.853 0.316 . . . . 0.0 111.853 -177.531 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 30.0 t70 59.05 -23.3 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 -178.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.565 ' H ' ' C ' ' B' ' 51' ' ' VAL . . . -51.87 -35.64 45.71 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-O 120.809 0.337 . . . . 0.0 110.57 -178.638 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.78 HG21 HE22 ' B' ' 48' ' ' GLN . 7.1 p -60.3 -40.09 82.8 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.406 178.632 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' B' ' 59' ' ' LYS . 33.2 t70 -57.41 -48.32 79.41 Favored 'General case' 0 CA--C 1.513 -0.467 0 C-N-CA 120.093 -0.643 . . . . 0.0 110.45 179.594 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.49 -43.55 96.92 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.998 179.689 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.518 HG12 HD12 ' B' ' 77' ' ' LEU . 95.4 t -63.83 -46.45 94.31 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.654 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 178.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 62.7 ttp -60.31 -43.3 96.47 Favored 'General case' 0 N--CA 1.429 -1.479 0 CA-C-N 114.819 -1.082 . . . . 0.0 109.853 175.209 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' B' ' 55' ' ' ASP . 14.0 tptp -62.71 -45.58 92.09 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.006 -178.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -69.54 -43.89 72.05 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.554 178.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.408 HD11 HG23 ' B' ' 76' ' ' VAL . 3.0 mm? -64.88 -38.58 91.45 Favored 'General case' 0 C--O 1.24 0.596 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.503 178.537 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -57.06 -29.72 63.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.21 -177.158 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -54.58 -58.36 7.79 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 177.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . 0.492 ' C ' ' H ' ' B' ' 66' ' ' ASP . 80.3 m-20 -64.42 -40.95 96.76 Favored 'General case' 0 CA--C 1.504 -0.789 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.237 175.01 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -69.23 39.04 0.33 Allowed Glycine 0 C--N 1.32 -0.318 0 N-CA-C 111.32 -0.712 . . . . 0.0 111.32 -178.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.492 ' H ' ' C ' ' B' ' 64' ' ' ASN . 35.3 t70 -61.74 -42.35 98.85 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 177.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -134.17 -72.61 0.08 OUTLIER Glycine 0 C--N 1.317 -0.479 0 N-CA-C 109.475 -1.45 . . . . 0.0 109.475 176.216 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -91.44 152.63 20.3 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.81 0.338 . . . . 0.0 110.827 176.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.54 HG23 ' HB3' ' B' ' 73' ' ' GLU . 1.7 p -127.22 125.86 66.87 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 N-CA-C 107.221 -1.399 . . . . 0.0 107.221 168.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.5 ' CG ' ' N ' ' B' ' 71' ' ' PHE . 14.4 t70 -91.21 172.63 8.42 Favored 'General case' 0 C--N 1.308 -1.201 0 C-N-CA 120.117 -0.633 . . . . 0.0 111.428 -171.815 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.595 ' O ' HG22 ' B' ' 75' ' ' VAL . 52.7 t80 -59.39 -43.41 92.94 Favored 'General case' 0 C--N 1.314 -0.955 0 N-CA-C 108.45 -0.945 . . . . 0.0 108.45 -179.72 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.474 ' HG3' HG11 ' A' ' 83' ' ' VAL . 74.3 mt-30 -59.1 -38.34 79.29 Favored 'General case' 0 N--CA 1.437 -1.076 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.144 175.346 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.54 ' HB3' HG23 ' B' ' 69' ' ' VAL . 62.4 mm-40 -69.66 -42.71 73.83 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.62 0.724 . . . . 0.0 110.04 173.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 33.9 t80 -61.38 -47.18 87.0 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.188 -0.914 . . . . 0.0 111.803 -177.336 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.878 HG21 ' CB ' ' A' ' 79' ' ' ALA . 18.0 m -64.68 -41.36 92.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 C-N-CA 120.25 -0.58 . . . . 0.0 111.741 -178.324 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.424 HG22 ' O ' ' B' ' 73' ' ' GLU . 23.6 m -65.79 -37.43 79.9 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.111 0 C-N-CA 120.245 -0.582 . . . . 0.0 111.073 178.282 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.619 HD23 HD21 ' B' ' 33' ' ' LEU . 48.3 tp -60.83 -48.81 80.09 Favored 'General case' 0 CA--C 1.511 -0.521 0 C-N-CA 120.15 -0.62 . . . . 0.0 110.08 178.666 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.478 ' HB ' HD21 ' B' ' 41' ' ' LEU . 13.9 m -70.25 -42.25 78.87 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.7 0 C-N-CA 120.023 -0.671 . . . . 0.0 111.295 176.757 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.768 ' CB ' HG21 ' A' ' 75' ' ' VAL . . . -64.32 -42.62 96.21 Favored 'General case' 0 CA--C 1.503 -0.861 0 C-N-CA 120.606 -0.438 . . . . 0.0 111.195 179.576 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . 0.405 ' O ' HG12 ' B' ' 83' ' ' VAL . . . -59.43 -44.61 92.86 Favored 'General case' 0 N--CA 1.444 -0.759 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 179.549 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.486 HD21 ' HA ' ' B' ' 54' ' ' VAL . 99.6 mt -62.88 -43.18 99.49 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.426 175.122 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.428 ' O ' ' HB2' ' B' ' 86' ' ' ASN . 17.6 m -63.03 -49.68 73.66 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.728 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.405 HG12 ' O ' ' B' ' 80' ' ' ALA . 1.6 p -64.01 -44.31 97.81 Favored 'Isoleucine or valine' 0 C--O 1.238 0.475 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.772 -179.472 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -58.82 -52.41 65.83 Favored 'General case' 0 C--O 1.238 0.473 0 C-N-CA 120.709 -0.397 . . . . 0.0 110.262 178.074 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 85' ' ' MET . . . . . 0.426 ' SD ' HG21 ' B' ' 51' ' ' VAL . 94.5 mmm -65.31 -41.7 93.77 Favored 'General case' 0 CA--C 1.515 -0.382 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.788 178.033 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.462 ' HA ' ' HB2' ' B' ' 89' ' ' PHE . 10.8 m-80 -62.18 -41.05 97.96 Favored 'General case' 0 CA--C 1.495 -1.142 0 C-N-CA 120.452 -0.499 . . . . 0.0 111.85 178.132 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . 0.418 ' C ' ' ND2' ' B' ' 87' ' ' ASN . 0.5 OUTLIER -56.67 -43.61 80.58 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 119.31 -0.956 . . . . 0.0 109.085 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.544 ' O ' ' N ' ' B' ' 92' ' ' ASN . 65.2 m-85 -67.75 -41.69 82.98 Favored 'General case' 0 C--O 1.219 -0.507 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.906 173.685 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . 0.462 ' HB2' ' HA ' ' B' ' 86' ' ' ASN . 3.9 t80 -57.72 -49.59 76.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.683 -170.151 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . 0.508 ' CH2' ' CD2' ' A' ' 16' ' ' HIS . 97.6 m95 -66.08 -38.53 88.49 Favored 'General case' 0 CA--C 1.492 -1.267 0 CA-C-O 121.618 0.723 . . . . 0.0 109.494 -177.516 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -68.87 -39.02 80.07 Favored 'General case' 0 C--N 1.305 -1.346 0 CA-C-N 114.415 -1.266 . . . . 0.0 109.436 175.534 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . 0.544 ' N ' ' O ' ' B' ' 88' ' ' PHE . 29.0 t-20 -52.48 116.02 2.06 Favored 'General case' 0 CA--C 1.501 -0.917 0 CA-C-N 115.265 -0.879 . . . . 0.0 111.083 -174.006 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 3.6 m . . . . . 0 C--O 1.2 -1.536 0 CA-C-N 114.891 -1.05 . . . . 0.0 108.954 -176.632 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.476 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -70.12 164.67 23.64 Favored 'General case' 0 C--O 1.248 0.995 0 CA-C-O 120.838 0.352 . . . . 0.0 110.741 -178.789 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 54.5 mp0 -58.09 -38.27 76.1 Favored 'General case' 0 C--N 1.313 -1.017 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 176.021 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.899 HD21 HG21 ' B' ' 14' ' ' VAL . 1.2 mm? -60.55 -45.39 94.06 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 178.458 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.469 ' HG2' ' CD2' ' B' ' 44' ' ' PHE . 95.3 mt-10 -65.76 -41.12 92.49 Favored 'General case' 0 C--N 1.316 -0.884 0 C-N-CA 119.756 -0.778 . . . . 0.0 109.31 176.485 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.2 m -62.47 -48.95 77.38 Favored 'General case' 0 C--O 1.245 0.848 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.396 177.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.82 -48.55 81.31 Favored 'General case' 0 CA--C 1.509 -0.629 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 178.454 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.563 ' HG2' ' O ' ' A' ' 4' ' ' LEU . 96.5 mmm -63.56 -40.41 96.91 Favored 'General case' 0 N--CA 1.444 -0.772 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.536 -179.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -62.5 -35.99 81.1 Favored 'General case' 0 C--O 1.241 0.647 0 C-N-CA 120.108 -0.637 . . . . 0.0 111.2 174.194 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 17.4 m -57.49 -44.43 84.92 Favored 'General case' 0 C--N 1.312 -1.053 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 176.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 1.055 HD23 HD22 ' B' ' 4' ' ' LEU . 90.0 mt -63.95 -40.83 97.33 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.88 174.455 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.484 HD12 ' HZ2' ' B' ' 90' ' ' TRP . 20.7 mm -62.21 -43.74 98.28 Favored 'Isoleucine or valine' 0 C--O 1.237 0.401 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 -179.493 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 66.1 m-20 -61.08 -43.15 99.32 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.973 -176.044 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 1.029 HG21 HD11 ' B' ' 4' ' ' LEU . 86.1 t -65.33 -43.24 95.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.462 175.305 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.561 ' CE1' ' HB2' ' A' ' 28' ' ' LEU . 62.6 t80 -56.92 -48.07 79.13 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.506 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -59.84 -44.45 94.08 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-N 116.258 -0.428 . . . . 0.0 112.117 176.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.88 -47.9 76.53 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 -179.178 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.531 ' NE2' ' HB2' ' A' ' 36' ' ' LEU . 89.8 m-70 -68.87 -37.05 78.8 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.902 177.316 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 74.1 m -54.88 -40.93 70.26 Favored 'General case' 0 C--O 1.242 0.71 0 N-CA-C 108.307 -0.998 . . . . 0.0 108.307 173.235 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.55 -42.62 97.8 Favored Glycine 0 N--CA 1.45 -0.406 0 N-CA-C 109.932 -1.267 . . . . 0.0 109.932 174.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 60.3 mttm -67.75 -45.57 74.56 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 120.604 0.24 . . . . 0.0 111.37 179.348 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.43 ' OE2' ' N ' ' A' ' 24' ' ' ASP . 0.0 OUTLIER -68.91 -37.24 78.82 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.92 -175.575 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 125.23 -30.44 4.54 Favored Glycine 0 N--CA 1.467 0.757 0 CA-C-N 116.35 -0.386 . . . . 0.0 113.046 175.507 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.43 ' N ' ' OE2' ' A' ' 22' ' ' GLU . 16.8 t70 -66.85 153.35 43.65 Favored 'General case' 0 CA--C 1.509 -0.621 0 CA-C-N 117.374 0.587 . . . . 0.0 111.434 -177.333 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.427 ' HD2' ' CE2' ' A' ' 26' ' ' TYR . 32.1 pttt -57.55 -44.49 85.25 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.054 177.059 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.427 ' CE2' ' HD2' ' A' ' 25' ' ' LYS . 4.3 p90 -158.54 92.69 1.15 Allowed 'General case' 0 C--N 1.315 -0.9 0 CA-C-O 121.646 0.736 . . . . 0.0 110.289 171.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.416 ' HG2' ' O ' ' A' ' 26' ' ' TYR . 36.0 mmtm -160.58 164.83 31.65 Favored 'General case' 0 C--N 1.307 -1.266 0 CA-C-N 114.044 -1.435 . . . . 0.0 108.259 174.544 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.561 ' HB2' ' CE1' ' A' ' 15' ' ' PHE . 36.0 tp -124.37 129.1 50.09 Favored 'General case' 0 C--N 1.294 -1.825 0 N-CA-C 107.575 -1.268 . . . . 0.0 107.575 173.383 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 94.7 p -82.9 165.2 19.95 Favored 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 178.149 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.681 ' HD2' HG12 ' A' ' 69' ' ' VAL . 0.0 OUTLIER -74.85 -6.12 47.33 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 117.913 -1.515 . . . . 0.0 108.51 178.712 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 25.0 mttm -71.46 -59.01 2.99 Favored 'General case' 0 CA--C 1.516 -0.339 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 177.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -65.94 -39.42 90.46 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 114.652 -1.158 . . . . 0.0 110.003 179.437 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.989 HD11 HD22 ' A' ' 77' ' ' LEU . 2.2 tm? -60.01 -47.73 84.64 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.621 -174.594 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.51 ' NZ ' ' OD2' ' A' ' 62' ' ' ASP . 4.6 mmmm -67.23 -43.86 80.93 Favored 'General case' 0 C--N 1.312 -1.044 0 C-N-CA 120.209 -0.597 . . . . 0.0 111.384 178.475 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.425 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 68.3 mm-40 -72.13 -43.8 64.14 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.404 -177.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.591 ' C ' HD12 ' A' ' 36' ' ' LEU . 0.3 OUTLIER -66.89 -40.72 87.83 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.457 -0.497 . . . . 0.0 111.867 179.575 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.722 HD23 HG12 ' A' ' 78' ' ' VAL . 2.0 tm? -60.1 -47.73 84.67 Favored 'General case' 0 CA--C 1.511 -0.523 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.61 -175.404 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.461 ' HA ' HD22 ' A' ' 45' ' ' LEU . 13.3 pt20 -64.84 -42.55 94.82 Favored 'General case' 0 C--N 1.309 -1.157 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.878 176.218 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 96.3 m -63.6 -52.58 60.31 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.823 -177.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.638 ' HB3' HD12 ' B' ' 4' ' ' LEU . 69.7 mm-40 -73.1 -38.43 66.35 Favored 'General case' 0 N--CA 1.465 0.275 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -175.346 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.407 ' N ' HD12 ' A' ' 41' ' ' LEU . 10.8 mp -103.73 40.2 1.47 Allowed 'General case' 0 C--O 1.24 0.595 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.575 -175.75 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -55.82 -39.37 71.28 Favored 'General case' 0 C--N 1.307 -1.266 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.865 -176.878 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.38 -46.44 86.16 Favored Glycine 0 N--CA 1.449 -0.442 0 N-CA-C 111.368 -0.693 . . . . 0.0 111.368 178.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.646 ' HA ' ' SD ' ' A' ' 85' ' ' MET . 32.9 m-85 -66.0 -43.36 87.93 Favored 'General case' 0 CA--C 1.496 -1.122 0 CA-C-O 121.382 0.61 . . . . 0.0 109.624 176.095 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.461 HD22 ' HA ' ' A' ' 38' ' ' GLN . 22.3 tp -61.21 -48.38 81.79 Favored 'General case' 0 N--CA 1.429 -1.51 0 CA-C-N 114.99 -1.005 . . . . 0.0 110.877 176.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.402 ' N ' ' O ' ' A' ' 42' ' ' SER . 7.2 m-20 -66.4 -39.53 89.09 Favored 'General case' 0 C--N 1.312 -1.055 0 N-CA-C 112.57 0.582 . . . . 0.0 112.57 177.669 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.825 ' HB3' ' SD ' ' A' ' 85' ' ' MET . . . -56.83 -45.97 82.01 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.905 0.383 . . . . 0.0 110.913 -175.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.54 ' HB2' ' HB ' ' A' ' 51' ' ' VAL . 1.0 OUTLIER -116.58 40.87 2.81 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 121.233 0.54 . . . . 0.0 109.554 177.516 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.5 tttp -61.53 -43.21 99.28 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 -175.449 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 59.7 m-20 -93.43 -0.16 56.57 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 114.332 -1.304 . . . . 0.0 112.345 -176.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.773 ' O ' HG12 ' A' ' 54' ' ' VAL . 61.7 t -84.59 133.03 30.19 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.545 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 -178.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -54.78 -32.77 60.54 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -176.097 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.473 ' H ' HG12 ' A' ' 51' ' ' VAL . . . -53.49 -37.04 62.34 Favored 'General case' 0 C--N 1.317 -0.805 0 C-N-CA 120.98 -0.288 . . . . 0.0 111.324 -176.632 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.773 HG12 ' O ' ' A' ' 51' ' ' VAL . 8.3 p -61.43 -36.67 74.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 C-N-CA 120.611 -0.435 . . . . 0.0 109.922 -178.585 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -59.02 -44.12 91.66 Favored 'General case' 0 CA--C 1.5 -0.956 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 177.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -63.48 -44.75 93.5 Favored 'General case' 0 CA--C 1.489 -1.376 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.31 -177.548 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.766 HG11 ' HG ' ' A' ' 81' ' ' LEU . 99.8 t -61.73 -45.27 99.05 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.244 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 179.431 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 13.9 mmm -63.54 -44.84 93.05 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.196 178.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.477 ' NZ ' ' OE2' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -68.39 -48.52 64.48 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.228 -178.228 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -66.58 -42.5 86.88 Favored 'General case' 0 N--CA 1.438 -1.067 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.851 -174.257 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.793 ' HG ' HD13 ' A' ' 77' ' ' LEU . 4.5 mm? -63.51 -39.82 95.43 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 119.864 -0.734 . . . . 0.0 110.443 170.099 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.51 ' OD2' ' NZ ' ' A' ' 34' ' ' LYS . 49.8 m-20 -62.58 -18.31 61.87 Favored 'General case' 0 CA--C 1.515 -0.393 0 C-N-CA 120.769 -0.372 . . . . 0.0 111.372 179.581 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.477 ' OE2' ' NZ ' ' A' ' 59' ' ' LYS . 81.0 mm-40 -59.43 -36.27 75.58 Favored 'General case' 0 CA--C 1.511 -0.532 0 N-CA-C 107.399 -1.334 . . . . 0.0 107.399 173.272 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.513 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . 38.5 t-20 -108.45 35.95 3.0 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 114.955 -1.02 . . . . 0.0 108.787 174.29 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.488 ' HA2' ' HE2' ' A' ' 30' ' ' LYS . . . -94.79 20.03 50.84 Favored Glycine 0 C--O 1.228 -0.266 0 N-CA-C 109.917 -1.273 . . . . 0.0 109.917 179.713 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -63.85 -39.83 95.14 Favored 'General case' 0 C--N 1.313 -1.002 0 N-CA-C 112.921 0.711 . . . . 0.0 112.921 -175.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -161.46 -70.95 0.02 OUTLIER Glycine 0 CA--C 1.527 0.809 0 C-N-CA 119.71 -1.233 . . . . 0.0 113.947 -176.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.405 ' C ' ' HD3' ' A' ' 30' ' ' LYS . 0.4 OUTLIER -113.16 154.14 27.15 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 -173.9 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.977 HG23 ' HB2' ' A' ' 73' ' ' GLU . 0.2 OUTLIER -130.32 132.75 64.75 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 C-N-CA 123.73 0.812 . . . . 0.0 109.431 173.046 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.36 -173.39 3.05 Favored 'General case' 0 C--N 1.312 -1.05 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 178.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.504 ' HB3' ' HB ' ' B' ' 83' ' ' VAL . 29.9 t80 -61.33 -43.24 99.2 Favored 'General case' 0 C--N 1.301 -1.533 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.849 178.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -59.27 -45.61 90.75 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.37 179.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.977 ' HB2' HG23 ' A' ' 69' ' ' VAL . 81.6 mt-10 -65.71 -39.27 91.04 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 119.723 -0.791 . . . . 0.0 109.555 175.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -61.11 -48.74 80.25 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.483 -179.007 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.863 HG21 ' CB ' ' B' ' 79' ' ' ALA . 32.8 m -66.52 -40.64 86.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 -178.277 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.429 ' O ' ' N ' ' A' ' 80' ' ' ALA . 14.7 p -63.85 -39.14 84.35 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 C-N-CA 120.446 -0.502 . . . . 0.0 110.288 -177.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.989 HD22 HD11 ' A' ' 33' ' ' LEU . 44.2 tp -61.34 -49.44 76.95 Favored 'General case' 0 CA--C 1.513 -0.45 0 C-N-CA 120.684 -0.407 . . . . 0.0 110.902 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.722 HG12 HD23 ' A' ' 37' ' ' LEU . 29.9 m -68.12 -42.68 85.18 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.823 0 C-N-CA 119.877 -0.729 . . . . 0.0 109.989 178.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.942 ' CB ' HG21 ' B' ' 75' ' ' VAL . . . -64.03 -39.54 94.33 Favored 'General case' 0 CA--C 1.506 -0.736 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.233 179.141 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 76' ' ' VAL . . . -57.31 -47.21 82.1 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 -178.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.766 ' HG ' HG11 ' A' ' 57' ' ' VAL . 93.9 mt -63.04 -41.14 99.44 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.42 173.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.526 HG22 HD11 ' B' ' 12' ' ' ILE . 20.6 m -60.74 -51.94 67.21 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.688 -178.685 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.447 HG11 ' HG3' ' B' ' 72' ' ' GLN . 7.2 p -63.85 -43.19 97.76 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.552 0 C-N-CA 119.88 -0.728 . . . . 0.0 110.509 178.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.54 -49.61 76.84 Favored 'General case' 0 N--CA 1.441 -0.882 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 179.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.825 ' SD ' ' HB3' ' A' ' 47' ' ' ALA . 26.2 ttp -73.29 -44.69 58.7 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 120.162 -0.615 . . . . 0.0 111.28 -178.421 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.422 ' HB3' ' NE1' ' A' ' 90' ' ' TRP . 10.8 m120 -61.94 -33.97 75.25 Favored 'General case' 0 CA--C 1.503 -0.858 0 C-N-CA 121.027 -0.269 . . . . 0.0 110.886 -176.493 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.497 ' HA ' ' CE3' ' A' ' 90' ' ' TRP . 36.8 t30 -49.97 -35.14 23.16 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.033 175.761 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.495 ' O ' ' N ' ' A' ' 92' ' ' ASN . 29.8 m-85 -61.34 -44.17 97.63 Favored 'General case' 0 C--O 1.222 -0.351 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 176.293 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.403 ' O ' ' O ' ' A' ' 92' ' ' ASN . 20.8 m-85 -64.49 -40.04 94.92 Favored 'General case' 0 CA--C 1.511 -0.532 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.793 176.628 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.729 ' HZ2' HD12 ' B' ' 12' ' ' ILE . 38.2 m0 -59.06 -47.26 85.88 Favored 'General case' 0 C--N 1.313 -1.004 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 -179.004 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -72.3 -42.86 65.0 Favored 'General case' 0 C--N 1.308 -1.213 0 CA-C-N 114.884 -1.053 . . . . 0.0 112.298 175.023 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.495 ' N ' ' O ' ' A' ' 88' ' ' PHE . 20.4 t30 -84.34 97.1 9.28 Favored 'General case' 0 CA--C 1.499 -1.008 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 177.36 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.6 m . . . . . 0 C--N 1.312 -1.046 0 CA-C-O 118.022 -0.989 . . . . 0.0 109.403 -174.086 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.357 0 N-CA-C 109.915 -1.274 . . . . 0.0 109.915 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 4.8 m -64.2 157.43 25.76 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-O 120.929 0.395 . . . . 0.0 110.865 -177.209 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.412 ' H ' ' CD ' ' B' ' 3' ' ' GLU . 54.9 mp0 -51.73 -17.96 1.07 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.147 -177.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 1.055 HD22 HD23 ' A' ' 11' ' ' LEU . 96.0 mt -61.52 -41.84 97.92 Favored 'General case' 0 N--CA 1.44 -0.949 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.855 -178.042 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -62.01 -45.94 91.37 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 120.207 -0.597 . . . . 0.0 110.01 178.375 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 7.4 m -63.29 -45.85 89.49 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.061 0.458 . . . . 0.0 109.985 175.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.8 -46.79 77.92 Favored 'General case' 0 CA--C 1.513 -0.471 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 178.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . 0.5 ' SD ' HD11 ' A' ' 11' ' ' LEU . 95.5 mmm -63.31 -41.08 98.91 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.208 179.647 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -66.01 -35.69 81.25 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 119.037 -1.065 . . . . 0.0 110.279 175.034 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.533 ' O ' HG23 ' B' ' 14' ' ' VAL . 10.5 m -57.62 -43.44 84.76 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 177.474 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.722 ' CD2' HD13 ' A' ' 4' ' ' LEU . 94.7 mt -61.9 -42.76 99.46 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.327 175.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.729 HD12 ' HZ2' ' A' ' 90' ' ' TRP . 22.5 mm -62.84 -45.38 98.99 Favored 'Isoleucine or valine' 0 C--O 1.24 0.588 0 CA-C-O 121.186 0.517 . . . . 0.0 110.209 -178.157 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 60.7 m-80 -64.35 -41.22 96.86 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.32 -179.519 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.899 HG21 HD21 ' A' ' 4' ' ' LEU . 90.7 t -66.63 -43.78 90.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 176.339 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -58.53 -47.39 84.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.467 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.476 ' HA ' ' OG ' ' B' ' 19' ' ' SER . 23.4 m-70 -78.16 -15.44 58.84 Favored 'General case' 0 C--O 1.24 0.558 0 N-CA-C 113.364 0.876 . . . . 0.0 113.364 -178.216 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.48 -34.98 69.6 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 175.119 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.408 ' O ' ' HB2' ' B' ' 21' ' ' LYS . 92.3 m-70 -89.06 -23.84 22.46 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 114.928 -1.033 . . . . 0.0 112.014 177.095 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.476 ' OG ' ' HA ' ' B' ' 16' ' ' HIS . 73.9 m -54.71 -37.77 66.26 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 120.445 -0.502 . . . . 0.0 109.998 178.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.18 -27.41 70.53 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 110.641 -0.984 . . . . 0.0 110.641 178.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.41 ' HB2' ' HG3' ' B' ' 32' ' ' GLU . 14.6 mmtp -67.15 -43.81 81.36 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 112.913 0.709 . . . . 0.0 112.913 -172.496 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.424 ' OE1' ' N ' ' B' ' 23' ' ' GLY . 0.0 OUTLIER -143.11 -63.67 0.41 Allowed 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 -176.605 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . 0.424 ' N ' ' OE1' ' B' ' 22' ' ' GLU . . . -61.46 -166.11 0.37 Allowed Glycine 0 CA--C 1.528 0.854 0 CA-C-N 115.602 -0.726 . . . . 0.0 113.401 -170.481 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.474 ' CG ' ' N ' ' B' ' 25' ' ' LYS . 32.7 t70 -64.33 175.24 1.37 Allowed 'General case' 0 C--O 1.237 0.403 0 C-N-CA 123.237 0.615 . . . . 0.0 110.822 -179.263 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.474 ' N ' ' CG ' ' B' ' 24' ' ' ASP . 8.6 pttm -51.84 -41.19 61.63 Favored 'General case' 0 C--O 1.24 0.566 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 176.266 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.567 ' CD1' ' HB3' ' A' ' 90' ' ' TRP . 0.0 OUTLIER -126.52 92.09 3.49 Favored 'General case' 0 N--CA 1.445 -0.722 0 C-N-CA 119.629 -0.828 . . . . 0.0 110.337 168.318 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.612 ' NZ ' ' HB3' ' B' ' 70' ' ' ASP . 0.6 OUTLIER -167.01 179.69 5.09 Favored 'General case' 0 C--N 1.31 -1.132 0 C-N-CA 124.795 1.238 . . . . 0.0 107.957 169.591 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.557 HD11 ' HB2' ' B' ' 32' ' ' GLU . 48.0 tp -146.03 132.64 19.86 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 173.229 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 2.5 m -83.52 158.26 22.06 Favored 'General case' 0 C--N 1.314 -0.948 0 C-N-CA 119.605 -0.838 . . . . 0.0 109.025 177.382 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.559 ' NZ ' ' O ' ' B' ' 64' ' ' ASN . 0.3 OUTLIER -66.98 -5.82 14.36 Favored 'General case' 0 C--O 1.246 0.869 0 C-N-CA 120.014 -0.674 . . . . 0.0 109.623 179.535 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 46.9 mttm -65.85 -67.16 0.46 Allowed 'General case' 0 CA--C 1.514 -0.41 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.053 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.557 ' HB2' HD11 ' B' ' 28' ' ' LEU . 66.2 mm-40 -65.76 -36.15 82.75 Favored 'General case' 0 N--CA 1.434 -1.258 0 CA-C-N 114.609 -1.178 . . . . 0.0 110.857 -179.682 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.911 HD11 ' CD2' ' B' ' 77' ' ' LEU . 1.8 tm? -57.15 -49.23 76.59 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 -168.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.494 ' NZ ' ' O ' ' B' ' 30' ' ' LYS . 38.5 mtmm -63.77 -43.91 94.96 Favored 'General case' 0 C--N 1.317 -0.832 0 C-N-CA 118.972 -1.091 . . . . 0.0 109.37 -179.024 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.726 ' O ' HG22 ' B' ' 39' ' ' THR . 92.0 mt-10 -68.65 -40.53 80.19 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-N 114.324 -1.307 . . . . 0.0 109.79 -178.639 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.502 ' HB3' ' O ' ' B' ' 32' ' ' GLU . 3.6 tp -62.54 -45.63 92.07 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.114 -0.948 . . . . 0.0 110.371 171.617 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.856 HD11 ' CD1' ' B' ' 81' ' ' LEU . 2.6 tm? -63.15 -45.78 90.25 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.943 -178.205 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.439 ' HG2' ' O ' ' B' ' 35' ' ' GLU . 21.1 pt20 -64.27 -46.0 85.59 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.061 -0.656 . . . . 0.0 112.462 -177.002 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.726 HG22 ' O ' ' B' ' 35' ' ' GLU . 0.5 OUTLIER -61.77 -51.76 67.01 Favored 'General case' 0 C--O 1.244 0.809 0 C-N-CA 119.632 -0.827 . . . . 0.0 111.394 -177.148 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.486 ' HB3' ' HG ' ' A' ' 4' ' ' LEU . 40.1 mm-40 -69.58 -36.46 76.27 Favored 'General case' 0 N--CA 1.439 -0.978 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -174.142 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.409 HD22 HD21 ' B' ' 37' ' ' LEU . 9.3 mp -102.77 28.66 5.94 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.532 179.396 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 30.8 m -52.61 -42.13 64.31 Favored 'General case' 0 C--O 1.242 0.676 0 CA-C-O 120.823 0.344 . . . . 0.0 110.721 -178.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -61.75 -44.65 97.61 Favored Glycine 0 N--CA 1.449 -0.452 0 N-CA-C 110.704 -0.958 . . . . 0.0 110.704 179.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.703 ' CE2' HG23 ' B' ' 82' ' ' THR . 14.0 m-85 -73.12 -45.63 55.84 Favored 'General case' 0 CA--C 1.501 -0.913 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.452 176.291 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.653 HD12 HE21 ' B' ' 48' ' ' GLN . 15.2 tp -61.62 -49.95 74.54 Favored 'General case' 0 C--N 1.312 -1.028 0 N-CA-C 114.059 1.133 . . . . 0.0 114.059 -172.157 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.45 ' OD1' ' NZ ' ' B' ' 49' ' ' LYS . 21.9 t70 -65.55 -36.9 85.14 Favored 'General case' 0 C--N 1.306 -1.31 0 C-N-CA 120.189 -0.604 . . . . 0.0 110.9 -177.355 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.64 -34.97 78.13 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.381 178.31 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.653 HE21 HD12 ' B' ' 45' ' ' LEU . 2.7 pp0? -103.62 15.06 29.82 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 -172.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.45 ' NZ ' ' OD1' ' B' ' 46' ' ' ASP . 91.3 mttt -59.09 -40.29 84.83 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 120.722 -0.391 . . . . 0.0 111.809 179.246 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -98.75 22.77 9.58 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-O 120.734 0.302 . . . . 0.0 111.623 -175.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . 0.634 ' O ' HG12 ' B' ' 51' ' ' VAL . 45.9 t -104.38 14.6 6.86 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.392 -179.532 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.407 ' OD2' ' NZ ' ' B' ' 56' ' ' LYS . 19.8 t70 60.84 -46.94 0.11 Allowed 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 112.763 0.653 . . . . 0.0 112.763 176.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.476 ' N ' ' O ' ' B' ' 51' ' ' VAL . . . -48.49 -34.53 11.34 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.812 -174.206 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.462 ' HB ' ' OE1' ' B' ' 48' ' ' GLN . 14.7 p -52.56 -37.57 24.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 179.297 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.471 ' OD1' ' NZ ' ' B' ' 59' ' ' LYS . 33.7 t70 -61.48 -48.06 82.81 Favored 'General case' 0 CA--C 1.51 -0.579 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.67 176.279 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . 0.407 ' NZ ' ' OD2' ' B' ' 52' ' ' ASP . 41.0 mttp -65.42 -43.33 90.86 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.487 -178.692 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.529 HG11 ' HG ' ' B' ' 81' ' ' LEU . 70.5 t -64.44 -44.73 97.06 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-N 115.121 -0.945 . . . . 0.0 108.649 178.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 65.9 ttp -60.58 -38.84 85.96 Favored 'General case' 0 N--CA 1.43 -1.455 0 CA-C-N 114.346 -1.297 . . . . 0.0 109.549 173.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . 0.471 ' NZ ' ' OD1' ' B' ' 55' ' ' ASP . 0.4 OUTLIER -59.95 -48.77 80.32 Favored 'General case' 0 CA--C 1.508 -0.656 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.37 -174.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -63.26 -41.54 99.05 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.274 -178.16 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.715 ' HG ' HD13 ' B' ' 77' ' ' LEU . 2.1 mm? -62.93 -39.82 95.77 Favored 'General case' 0 C--N 1.314 -0.965 0 C-N-CA 120.193 -0.603 . . . . 0.0 109.846 175.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -64.53 -40.24 95.24 Favored 'General case' 0 C--O 1.234 0.273 0 O-C-N 123.561 0.538 . . . . 0.0 110.541 176.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . 0.442 ' HG3' ' O ' ' B' ' 59' ' ' LYS . 98.7 mt-10 -60.3 -41.13 92.76 Favored 'General case' 0 CA--C 1.51 -0.576 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 178.211 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . 0.559 ' O ' ' NZ ' ' B' ' 30' ' ' LYS . 23.2 m120 -90.24 17.42 7.14 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-N 114.49 -1.232 . . . . 0.0 109.39 176.068 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.433 ' HA2' ' HG3' ' B' ' 30' ' ' LYS . . . -104.51 26.02 24.0 Favored Glycine 0 C--O 1.224 -0.491 0 CA-C-N 116.059 -0.519 . . . . 0.0 112.194 -174.107 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -61.72 -41.39 97.57 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.778 178.485 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -136.69 -71.57 0.06 OUTLIER Glycine 0 C--N 1.32 -0.359 0 N-CA-C 111.649 -0.58 . . . . 0.0 111.649 -177.48 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -133.63 176.47 8.52 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.342 0.592 . . . . 0.0 112.181 -178.265 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.953 HG23 ' HB2' ' B' ' 73' ' ' GLU . 1.5 p -127.21 136.59 60.26 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.162 0 C-N-CA 124.342 1.057 . . . . 0.0 109.288 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.612 ' HB3' ' NZ ' ' B' ' 27' ' ' LYS . 0.6 OUTLIER -101.17 -176.96 3.3 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 121.583 0.706 . . . . 0.0 111.59 179.151 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.592 ' O ' HG22 ' B' ' 75' ' ' VAL . 48.2 t80 -60.14 -44.05 95.25 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-N 114.822 -1.081 . . . . 0.0 109.769 -179.066 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.447 ' HG3' HG11 ' A' ' 83' ' ' VAL . 24.6 mt-30 -60.03 -40.78 90.51 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.659 179.225 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.953 ' HB2' HG23 ' B' ' 69' ' ' VAL . 70.6 mt-10 -67.18 -41.9 85.15 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 119.172 -1.011 . . . . 0.0 109.25 173.749 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . 0.636 ' OH ' HD11 ' A' ' 4' ' ' LEU . 46.7 t80 -61.16 -49.43 77.25 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.266 -176.151 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.942 HG21 ' CB ' ' A' ' 79' ' ' ALA . 31.0 m -64.18 -42.56 95.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 116.267 -0.424 . . . . 0.0 112.123 -178.821 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.475 ' O ' ' N ' ' B' ' 80' ' ' ALA . 11.7 p -66.18 -39.02 83.24 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 C-N-CA 120.113 -0.635 . . . . 0.0 110.114 178.069 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.911 ' CD2' HD11 ' B' ' 33' ' ' LEU . 57.7 tp -61.48 -49.06 78.31 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.668 -179.456 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.773 HG12 HD23 ' B' ' 37' ' ' LEU . 19.6 m -67.91 -41.98 85.27 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 C-N-CA 119.949 -0.7 . . . . 0.0 110.371 178.596 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.863 ' CB ' HG21 ' A' ' 75' ' ' VAL . . . -62.71 -42.55 99.7 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.86 176.576 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . 0.475 ' N ' ' O ' ' B' ' 76' ' ' VAL . . . -56.33 -48.56 76.5 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.632 -178.698 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.856 ' CD1' HD11 ' B' ' 37' ' ' LEU . 88.3 mt -64.05 -42.23 97.1 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.373 174.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.75 HG22 ' OD1' ' B' ' 86' ' ' ASN . 15.8 m -62.52 -49.11 76.64 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.663 -177.683 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.504 ' HB ' ' HB3' ' A' ' 71' ' ' PHE . 14.7 p -61.51 -45.87 97.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.749 0.309 . . . . 0.0 111.246 -179.528 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -58.55 -50.95 71.9 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 120.568 -0.453 . . . . 0.0 110.013 -179.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 85' ' ' MET . . . . . 0.406 ' SD ' ' HD1' ' B' ' 44' ' ' PHE . 0.0 OUTLIER -66.41 -44.59 82.57 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.801 178.542 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.75 ' OD1' HG22 ' B' ' 82' ' ' THR . 6.6 m120 -63.67 -39.29 93.95 Favored 'General case' 0 CA--C 1.508 -0.66 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.986 -179.115 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -49.63 -39.58 36.43 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.165 177.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.482 ' O ' ' N ' ' B' ' 92' ' ' ASN . 76.4 m-85 -62.08 -41.89 98.64 Favored 'General case' 0 C--O 1.217 -0.643 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.082 175.389 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -60.08 -41.52 92.64 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.345 175.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . 0.565 ' CD1' ' N ' ' B' ' 90' ' ' TRP . 8.8 m0 -68.01 -51.7 44.05 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.027 -0.669 . . . . 0.0 109.978 -179.215 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -73.12 -46.27 52.18 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.151 -0.931 . . . . 0.0 112.393 -177.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . 0.482 ' N ' ' O ' ' B' ' 88' ' ' PHE . 50.4 t-20 -99.53 100.62 11.67 Favored 'General case' 0 CA--C 1.502 -0.874 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.514 179.113 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.204 -1.308 0 CA-C-O 118.429 -0.796 . . . . 0.0 110.202 -176.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 0.379 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.45 ' C ' ' H ' ' A' ' 4' ' ' LEU . 7.9 m -76.16 179.81 5.47 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 178.016 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.463 ' H ' ' CD ' ' A' ' 3' ' ' GLU . 1.9 mp0 -51.26 -17.39 0.69 Allowed 'General case' 0 C--O 1.237 0.44 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 178.017 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.45 ' H ' ' C ' ' A' ' 2' ' ' SER . 0.1 OUTLIER -56.91 -45.59 82.57 Favored 'General case' 0 N--CA 1.435 -1.193 0 CA-C-N 114.68 -1.146 . . . . 0.0 109.118 -175.088 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.464 ' HG2' ' CD2' ' B' ' 44' ' ' PHE . 98.6 mt-10 -65.3 -42.34 93.15 Favored 'General case' 0 N--CA 1.445 -0.675 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.963 179.029 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.9 m -62.22 -46.04 90.64 Favored 'General case' 0 C--O 1.244 0.777 0 CA-C-O 121.092 0.472 . . . . 0.0 110.051 175.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.45 -49.48 76.11 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.817 179.217 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.452 ' HE1' ' HB2' ' B' ' 79' ' ' ALA . 96.9 mmm -65.36 -41.04 94.23 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.095 179.496 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -64.65 -35.68 81.82 Favored 'General case' 0 CA--C 1.513 -0.468 0 C-N-CA 119.888 -0.725 . . . . 0.0 111.283 177.176 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 18.6 m -58.33 -43.38 88.21 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 176.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.546 HD11 ' SD ' ' B' ' 8' ' ' MET . 83.8 mt -62.91 -40.77 98.6 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.334 174.171 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.63 HD13 ' CD1' ' A' ' 71' ' ' PHE . 20.9 mm -62.36 -44.23 98.99 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 CA-C-O 121.091 0.472 . . . . 0.0 109.82 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 43.2 m-80 -62.17 -41.9 98.75 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.532 -177.355 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.955 HG21 HD21 ' B' ' 4' ' ' LEU . 91.2 t -63.26 -42.87 97.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 174.802 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -58.35 -47.93 82.2 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.487 178.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -60.86 -43.32 98.51 Favored 'General case' 0 CA--C 1.506 -0.739 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.422 174.288 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.29 -48.76 68.08 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.359 -176.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.538 ' CD2' HD13 ' A' ' 36' ' ' LEU . 90.6 m-70 -75.74 -31.49 59.62 Favored 'General case' 0 C--N 1.319 -0.759 0 C-N-CA 120.637 -0.425 . . . . 0.0 111.858 176.048 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 70.2 m -52.2 -42.33 63.41 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.642 -177.018 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.29 -28.42 70.88 Favored Glycine 0 CA--C 1.528 0.848 0 N-CA-C 111.491 -0.644 . . . . 0.0 111.491 -179.62 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -64.29 -41.54 96.82 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 -173.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.416 ' OE1' ' N ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -144.52 -53.13 0.31 Allowed 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -177.838 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.416 ' N ' ' OE1' ' A' ' 22' ' ' GLU . . . -59.25 -178.38 1.21 Allowed Glycine 0 CA--C 1.527 0.827 0 CA-C-N 116.25 -0.432 . . . . 0.0 112.889 -173.795 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.417 ' O ' ' C ' ' A' ' 25' ' ' LYS . 26.2 t70 -60.85 163.07 6.06 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.214 -0.493 . . . . 0.0 109.719 177.624 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 24' ' ' ASP . 0.5 OUTLIER -37.45 -41.26 0.43 Allowed 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 120.97 -0.292 . . . . 0.0 110.349 -176.918 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.557 ' HB2' ' CE3' ' B' ' 90' ' ' TRP . 10.7 p90 -132.44 90.16 2.75 Favored 'General case' 0 N--CA 1.441 -0.901 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.081 167.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.528 ' HG2' ' O ' ' A' ' 26' ' ' TYR . 2.0 mmmm -165.97 161.7 17.64 Favored 'General case' 0 C--N 1.316 -0.881 0 C-N-CA 125.532 1.533 . . . . 0.0 107.145 170.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.583 HD11 ' HB2' ' A' ' 32' ' ' GLU . 55.6 tp -123.92 131.09 53.52 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.123 175.27 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.1 m -86.92 158.21 19.34 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 176.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.734 ' NZ ' ' HA ' ' A' ' 62' ' ' ASP . 10.3 mmmm -68.97 -7.08 31.93 Favored 'General case' 0 C--N 1.311 -1.092 0 C-N-CA 119.534 -0.866 . . . . 0.0 110.161 -177.433 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 47.3 mttm -64.29 -48.6 75.05 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-O 121.795 0.807 . . . . 0.0 109.139 -177.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.583 ' HB2' HD11 ' A' ' 28' ' ' LEU . 68.2 mm-40 -86.82 -30.87 21.18 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 114.456 -1.247 . . . . 0.0 111.003 -178.817 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.711 HD11 ' CD2' ' A' ' 77' ' ' LEU . 3.2 tm? -59.02 -43.77 91.63 Favored 'General case' 0 C--N 1.313 -0.999 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 -177.249 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -63.51 -42.41 98.48 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.227 -0.589 . . . . 0.0 110.719 177.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.941 ' O ' HG22 ' A' ' 39' ' ' THR . 6.0 mm-40 -67.17 -43.68 81.63 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.748 0.785 . . . . 0.0 108.91 175.765 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.538 HD13 ' CD2' ' A' ' 18' ' ' HIS . 21.4 tp -60.88 -48.33 82.31 Favored 'General case' 0 C--N 1.309 -1.191 0 CA-C-N 114.357 -1.292 . . . . 0.0 112.747 -178.37 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.704 HD21 HD22 ' A' ' 41' ' ' LEU . 2.8 tm? -64.13 -44.93 90.72 Favored 'General case' 0 C--N 1.309 -1.177 0 C-N-CA 120.091 -0.643 . . . . 0.0 111.394 -176.229 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -66.44 -44.87 81.63 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 112.867 0.691 . . . . 0.0 112.867 -178.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.941 HG22 ' O ' ' A' ' 35' ' ' GLU . 0.9 OUTLIER -66.11 -52.65 46.66 Favored 'General case' 0 C--O 1.24 0.574 0 C-N-CA 120.308 -0.557 . . . . 0.0 111.963 -178.126 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.54 ' HG2' HG23 ' A' ' 39' ' ' THR . 42.9 mm-40 -72.39 -35.14 68.34 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 -171.787 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.704 HD22 HD21 ' A' ' 37' ' ' LEU . 11.1 mp -99.88 35.23 2.07 Favored 'General case' 0 CA--C 1.508 -0.646 0 CA-C-O 121.272 0.558 . . . . 0.0 109.704 177.389 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.31 -36.24 70.86 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.947 -176.685 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.54 -42.71 80.18 Favored Glycine 0 C--O 1.241 0.534 0 N-CA-C 111.268 -0.733 . . . . 0.0 111.268 176.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.782 ' HA ' ' SD ' ' A' ' 85' ' ' MET . 54.8 m-85 -69.58 -41.57 75.64 Favored 'General case' 0 CA--C 1.496 -1.123 0 CA-C-O 121.619 0.723 . . . . 0.0 109.419 177.749 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.433 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 48.9 tp -62.01 -44.03 97.58 Favored 'General case' 0 N--CA 1.431 -1.406 0 CA-C-N 114.457 -1.247 . . . . 0.0 110.188 175.276 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -58.72 -45.9 88.57 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.641 176.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.785 ' HB3' ' SD ' ' A' ' 85' ' ' MET . . . -62.76 -36.39 82.91 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.818 -175.207 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -131.0 47.55 2.53 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 -176.006 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.433 ' HG3' ' O ' ' A' ' 45' ' ' LEU . 67.2 mttm -63.19 -39.54 94.95 Favored 'General case' 0 C--O 1.242 0.698 0 C-N-CA 120.12 -0.632 . . . . 0.0 109.868 172.799 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -80.05 -3.94 50.64 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-N 114.581 -1.191 . . . . 0.0 112.428 -173.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.666 ' O ' HG12 ' A' ' 54' ' ' VAL . 8.7 t -88.71 132.54 33.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 -179.74 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.445 ' OD1' ' NZ ' ' A' ' 56' ' ' LYS . 0.3 OUTLIER -59.64 -28.46 67.25 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.796 -179.139 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.517 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -62.69 -38.86 92.06 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.729 -0.669 . . . . 0.0 112.615 -173.783 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.666 HG12 ' O ' ' A' ' 51' ' ' VAL . 9.6 p -57.21 -43.62 82.14 Favored 'Isoleucine or valine' 0 C--O 1.237 0.413 0 C-N-CA 120.661 -0.416 . . . . 0.0 111.041 -174.632 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -59.79 -50.01 75.48 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.829 0.823 . . . . 0.0 109.51 176.004 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.445 ' NZ ' ' OD1' ' A' ' 52' ' ' ASP . 44.6 mttp -65.2 -40.85 94.75 Favored 'General case' 0 C--N 1.306 -1.322 0 CA-C-N 114.249 -1.342 . . . . 0.0 111.325 -176.057 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.561 HG12 HD12 ' A' ' 77' ' ' LEU . 53.0 t -60.87 -47.07 95.01 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.848 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 177.353 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 57.5 ttp -61.48 -42.24 98.48 Favored 'General case' 0 C--N 1.306 -1.291 0 CA-C-N 114.653 -1.158 . . . . 0.0 110.323 174.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.441 ' HD3' ' HA ' ' A' ' 59' ' ' LYS . 0.2 OUTLIER -65.15 -37.54 87.73 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.772 -176.704 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.413 ' O ' ' HB2' ' A' ' 63' ' ' GLU . 90.6 mt-10 -58.46 -35.12 71.67 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.13 0.491 . . . . 0.0 110.295 178.203 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.713 ' HG ' HD22 ' A' ' 77' ' ' LEU . 2.4 mm? -62.66 -35.92 81.2 Favored 'General case' 0 C--N 1.308 -1.225 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.289 176.01 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.734 ' HA ' ' NZ ' ' A' ' 30' ' ' LYS . 94.2 m-20 -69.19 -20.88 63.99 Favored 'General case' 0 C--N 1.313 -0.983 0 C-N-CA 120.689 -0.404 . . . . 0.0 112.005 178.448 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.413 ' HB2' ' O ' ' A' ' 60' ' ' GLU . 95.9 mt-10 -62.58 -69.56 0.25 Allowed 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 175.587 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -67.47 -48.39 67.3 Favored 'General case' 0 CA--C 1.502 -0.885 0 CA-C-O 121.593 0.711 . . . . 0.0 109.73 178.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.489 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . . . -74.22 54.17 2.29 Favored Glycine 0 N--CA 1.434 -1.464 0 N-CA-C 108.961 -1.656 . . . . 0.0 108.961 178.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -63.1 -34.82 78.42 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-O 121.58 0.705 . . . . 0.0 109.138 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -121.99 -62.65 0.22 Allowed Glycine 0 C--N 1.318 -0.442 0 CA-C-N 114.762 -1.108 . . . . 0.0 110.648 179.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.407 ' O ' ' HA2' ' A' ' 65' ' ' GLY . 0.5 OUTLIER -117.64 167.9 10.91 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 110.413 -0.217 . . . . 0.0 110.413 -179.829 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.617 HG23 ' HB2' ' A' ' 73' ' ' GLU . 2.4 p -128.17 133.3 67.31 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 173.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -98.94 -177.12 3.53 Favored 'General case' 0 C--N 1.316 -0.863 0 C-N-CA 120.341 -0.544 . . . . 0.0 110.335 -179.8 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.63 ' CD1' HD13 ' A' ' 12' ' ' ILE . 61.6 t80 -60.93 -44.74 96.79 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-O 121.388 0.613 . . . . 0.0 109.993 179.111 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -60.3 -40.25 89.87 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.159 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.617 ' HB2' HG23 ' A' ' 69' ' ' VAL . 89.9 mt-10 -69.73 -41.06 75.79 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.134 -0.626 . . . . 0.0 110.685 173.481 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.464 ' CE1' HD21 ' A' ' 36' ' ' LEU . 31.4 t80 -60.53 -48.77 80.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.82 -178.738 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.782 HG21 ' CB ' ' B' ' 79' ' ' ALA . 27.6 m -63.06 -44.37 99.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -179.229 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.41 ' O ' ' N ' ' A' ' 80' ' ' ALA . 13.6 p -64.82 -39.27 85.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.571 -178.148 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.713 HD22 ' HG ' ' A' ' 61' ' ' LEU . 47.9 tp -60.8 -48.66 80.77 Favored 'General case' 0 CA--C 1.508 -0.651 0 CA-C-O 121.05 0.452 . . . . 0.0 110.595 -179.171 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.628 HG12 HD23 ' A' ' 37' ' ' LEU . 18.4 m -68.25 -41.59 83.94 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.179 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.614 178.478 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.68 ' CB ' HG21 ' B' ' 75' ' ' VAL . . . -62.78 -40.42 97.25 Favored 'General case' 0 CA--C 1.508 -0.64 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.734 176.738 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.415 ' HA ' ' OE1' ' B' ' 72' ' ' GLN . . . -57.06 -48.72 77.86 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.046 -178.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.571 ' CD1' HD11 ' A' ' 37' ' ' LEU . 94.5 mt -63.55 -40.11 96.14 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 174.135 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.47 ' HA ' ' CE2' ' A' ' 44' ' ' PHE . 19.8 m -61.54 -50.32 73.14 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.209 -178.467 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.488 HG23 ' HH2' ' A' ' 90' ' ' TRP . 10.0 p -61.86 -43.66 97.71 Favored 'Isoleucine or valine' 0 C--O 1.238 0.471 0 C-N-CA 120.26 -0.576 . . . . 0.0 110.22 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.18 -50.9 72.25 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.274 179.199 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.785 ' SD ' ' HB3' ' A' ' 47' ' ' ALA . 34.1 ttp -74.64 -42.46 58.49 Favored 'General case' 0 C--O 1.221 -0.426 0 C-N-CA 120.176 -0.61 . . . . 0.0 111.145 -179.174 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.559 ' OD1' ' NE1' ' A' ' 90' ' ' TRP . 1.8 t-20 -62.77 -33.89 76.09 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 119.877 -0.729 . . . . 0.0 110.544 -173.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.631 ' HA ' ' CD2' ' A' ' 90' ' ' TRP . 0.1 OUTLIER -48.92 -31.93 8.16 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.572 174.758 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.518 ' HB3' ' O ' ' A' ' 85' ' ' MET . 54.1 t80 -58.75 -44.71 90.64 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.873 176.701 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -62.72 -44.26 96.69 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.275 177.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.631 ' CD2' ' HA ' ' A' ' 87' ' ' ASN . 3.2 m0 -63.27 -41.03 98.99 Favored 'General case' 0 CA--C 1.507 -0.696 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 -175.733 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.448 ' CD ' HD21 ' A' ' 87' ' ' ASN . 96.2 mt-10 -98.89 -2.39 37.76 Favored 'General case' 0 C--O 1.247 0.957 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.437 -175.472 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.447 ' ND2' ' CZ ' ' A' ' 88' ' ' PHE . 8.3 t-20 -45.71 116.63 1.23 Allowed 'General case' 0 CA--C 1.505 -0.776 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.191 -174.324 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 58.6 m . . . . . 0 C--O 1.207 -1.176 0 CA-C-O 118.078 -0.963 . . . . 0.0 110.018 -176.809 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.5 0 N-CA-C 111.341 -0.704 . . . . 0.0 111.341 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 14.6 m -64.35 154.74 34.47 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 176.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -46.59 -26.79 0.96 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.756 0.312 . . . . 0.0 110.727 -178.227 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.955 HD21 HG21 ' A' ' 14' ' ' VAL . 0.7 OUTLIER -60.46 -41.86 94.98 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.666 -178.926 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 -62.61 -40.68 97.71 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 119.387 -0.925 . . . . 0.0 109.556 176.442 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 10.9 m -63.63 -47.53 80.96 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-O 121.467 0.651 . . . . 0.0 109.276 175.117 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.55 -47.34 84.54 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.64 -179.4 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . 0.546 ' SD ' HD11 ' A' ' 11' ' ' LEU . 96.6 mmm -63.39 -40.63 97.74 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.545 -0.462 . . . . 0.0 110.597 179.341 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.33 -37.25 86.5 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 119.63 -0.828 . . . . 0.0 110.685 172.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 8.8 m -58.31 -43.19 88.03 Favored 'General case' 0 C--O 1.237 0.428 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 177.062 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.409 HD21 HD13 ' A' ' 4' ' ' LEU . 98.4 mt -62.22 -41.43 98.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.864 176.459 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.547 HG21 ' OD1' ' A' ' 86' ' ' ASN . 26.4 mm -62.53 -44.14 99.05 Favored 'Isoleucine or valine' 0 C--O 1.236 0.384 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 178.811 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -61.62 -43.61 98.55 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.645 -177.317 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 93.6 t -65.4 -47.31 87.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 174.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -59.26 -49.1 79.14 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.078 -177.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.528 ' CE1' ' HB3' ' B' ' 26' ' ' TYR . 11.1 m-70 -80.78 -15.51 56.23 Favored 'General case' 0 CA--C 1.508 -0.661 0 N-CA-C 113.522 0.934 . . . . 0.0 113.522 -178.361 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.27 -42.57 91.52 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 107.551 -1.277 . . . . 0.0 107.551 174.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.475 ' ND1' ' OE1' ' B' ' 32' ' ' GLU . 87.4 m-70 -73.94 -34.92 64.49 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.608 -1.178 . . . . 0.0 111.785 176.058 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.408 ' OG ' ' HA ' ' B' ' 16' ' ' HIS . 72.2 m -50.3 -37.04 34.4 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-O 120.848 0.356 . . . . 0.0 111.752 -176.492 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.87 -21.66 52.4 Favored Glycine 0 C--N 1.31 -0.884 0 N-CA-C 111.682 -0.567 . . . . 0.0 111.682 -179.192 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -81.57 -72.48 0.43 Allowed 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 114.104 1.15 . . . . 0.0 114.104 -169.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -67.03 -45.15 78.37 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 113.813 -1.54 . . . . 0.0 114.252 -160.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -179.03 -73.93 0.06 OUTLIER Glycine 0 CA--C 1.527 0.788 0 C-N-CA 119.075 -1.536 . . . . 0.0 114.424 -177.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.532 ' HB3' ' HB2' ' B' ' 27' ' ' LYS . 15.4 t70 -59.94 157.45 12.58 Favored 'General case' 0 CA--C 1.507 -0.679 0 O-C-N 122.537 -0.39 . . . . 0.0 111.198 -172.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -62.43 -43.03 99.8 Favored 'General case' 0 CA--C 1.481 -1.7 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 176.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.528 ' HB3' ' CE1' ' B' ' 16' ' ' HIS . 0.0 OUTLIER -139.5 93.09 2.63 Favored 'General case' 0 N--CA 1.427 -1.586 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.447 177.012 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.532 ' HB2' ' HB3' ' B' ' 24' ' ' ASP . 5.8 mmtm -163.71 167.46 21.01 Favored 'General case' 0 CA--C 1.498 -1.038 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.552 173.33 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.406 HD21 ' HA ' ' B' ' 33' ' ' LEU . 48.2 tp -124.69 133.13 53.31 Favored 'General case' 0 C--N 1.292 -1.892 0 N-CA-C 107.173 -1.417 . . . . 0.0 107.173 170.498 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.426 ' HB2' ' HG3' ' B' ' 31' ' ' LYS . 0.7 OUTLIER -101.24 -177.54 3.47 Favored 'General case' 0 C--N 1.307 -1.262 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.03 -176.002 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.531 ' NZ ' ' O ' ' B' ' 62' ' ' ASP . 8.3 mmmm -80.98 0.55 35.1 Favored 'General case' 0 C--N 1.314 -0.942 0 C-N-CA 120.84 -0.344 . . . . 0.0 111.765 -174.202 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.456 ' O ' ' HG2' ' B' ' 35' ' ' GLU . 6.4 mttt -88.61 -62.97 1.37 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 -179.433 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.475 ' OE1' ' ND1' ' B' ' 18' ' ' HIS . 67.1 mm-40 -66.98 -34.43 77.73 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.565 -179.369 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.598 HD13 ' C ' ' B' ' 33' ' ' LEU . 2.3 tm? -58.83 -43.83 90.78 Favored 'General case' 0 C--O 1.238 0.469 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 -178.425 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.418 ' NZ ' ' O ' ' B' ' 30' ' ' LYS . 46.1 mttp -63.37 -42.85 98.88 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 176.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.456 ' HG2' ' O ' ' B' ' 31' ' ' LYS . 80.4 mm-40 -67.75 -42.02 82.44 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.551 -176.721 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.619 HD12 ' C ' ' B' ' 36' ' ' LEU . 0.3 OUTLIER -82.09 -40.28 22.17 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 113.227 0.825 . . . . 0.0 113.227 -173.53 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.765 HD23 HG12 ' B' ' 78' ' ' VAL . 2.4 tm? -60.37 -42.46 95.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.169 0.509 . . . . 0.0 110.002 -178.209 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -59.58 -42.25 92.08 Favored 'General case' 0 C--N 1.312 -1.064 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.453 HG23 ' O ' ' B' ' 35' ' ' GLU . 2.8 p -80.41 -50.13 10.52 Favored 'General case' 0 CA--C 1.506 -0.719 0 C-N-CA 120.044 -0.663 . . . . 0.0 111.083 -178.606 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -58.25 -40.17 81.07 Favored 'General case' 0 N--CA 1.439 -1.013 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.646 -172.253 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.4 HD11 HD12 ' A' ' 4' ' ' LEU . 8.4 mp -107.51 31.52 5.37 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.376 177.006 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 2.6 p -55.29 -37.69 67.64 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.981 -176.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -64.24 -48.14 77.67 Favored Glycine 0 C--O 1.242 0.629 0 N-CA-C 110.561 -1.016 . . . . 0.0 110.561 176.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.496 ' CE2' HG23 ' B' ' 82' ' ' THR . 29.5 m-85 -66.2 -41.41 90.21 Favored 'General case' 0 CA--C 1.503 -0.856 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.408 178.404 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.524 ' O ' HD12 ' B' ' 45' ' ' LEU . 3.0 tp -60.51 -47.42 86.23 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.254 -0.884 . . . . 0.0 110.722 179.702 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -67.69 -43.04 81.07 Favored 'General case' 0 C--N 1.317 -0.807 0 C-N-CA 119.733 -0.787 . . . . 0.0 111.108 176.546 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . 0.405 ' HB3' ' HG3' ' B' ' 85' ' ' MET . . . -59.7 -49.14 78.91 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.711 -177.094 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.469 ' NE2' ' HB ' ' B' ' 54' ' ' VAL . 0.0 OUTLIER -103.9 37.08 2.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.338 0.589 . . . . 0.0 110.585 178.911 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 1.5 tttp -61.97 -42.14 98.8 Favored 'General case' 0 C--N 1.308 -1.239 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.509 -179.031 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -85.43 37.7 0.7 Allowed 'General case' 0 C--O 1.239 0.522 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.284 -179.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . 0.489 ' O ' HG12 ' B' ' 54' ' ' VAL . 54.9 t -118.17 130.27 73.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 120.974 0.416 . . . . 0.0 110.727 -179.236 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -58.06 -39.34 78.24 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.558 179.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.518 ' O ' HG23 ' B' ' 57' ' ' VAL . . . -56.12 -27.46 54.03 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.669 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.489 HG12 ' O ' ' B' ' 51' ' ' VAL . 0.9 OUTLIER -59.46 -41.5 84.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 C-N-CA 119.717 -0.793 . . . . 0.0 110.205 179.774 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.421 ' O ' ' HB3' ' B' ' 59' ' ' LYS . 27.2 t70 -69.09 -57.14 5.81 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-O 121.486 0.66 . . . . 0.0 110.092 175.684 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . 0.428 ' HA ' ' CD ' ' B' ' 59' ' ' LYS . 50.4 mttp -65.2 -39.07 92.33 Favored 'General case' 0 C--N 1.307 -1.249 0 CA-C-N 114.796 -1.093 . . . . 0.0 113.83 -174.203 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.563 HG12 HD12 ' B' ' 77' ' ' LEU . 76.1 t -62.82 -47.68 91.68 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 177.439 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . 0.449 ' O ' ' HB2' ' B' ' 62' ' ' ASP . 66.1 ttp -63.64 -47.02 83.02 Favored 'General case' 0 N--CA 1.431 -1.376 0 CA-C-N 114.873 -1.058 . . . . 0.0 110.939 177.529 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . 0.503 ' HG2' ' N ' ' B' ' 60' ' ' GLU . 1.1 ptmt -71.37 -42.68 68.14 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 -176.553 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . 0.503 ' N ' ' HG2' ' B' ' 59' ' ' LYS . 86.8 mt-10 -65.88 -42.66 90.05 Favored 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 119.513 -0.875 . . . . 0.0 109.838 -179.128 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.455 HD11 HG13 ' B' ' 76' ' ' VAL . 2.3 mm? -64.52 -34.8 79.07 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.283 0.563 . . . . 0.0 109.541 173.552 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.531 ' O ' ' NZ ' ' B' ' 30' ' ' LYS . 23.7 t70 -55.54 -40.0 71.3 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.397 -178.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -64.97 -40.22 94.65 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 -179.283 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . 0.528 ' O ' ' N ' ' B' ' 66' ' ' ASP . 0.2 OUTLIER -61.17 -40.7 94.89 Favored 'General case' 0 CA--C 1.493 -1.241 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 176.717 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.48 ' O ' ' NZ ' ' B' ' 30' ' ' LYS . . . -66.39 57.77 0.18 Allowed Glycine 0 N--CA 1.442 -0.946 0 N-CA-C 109.511 -1.436 . . . . 0.0 109.511 176.126 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.528 ' N ' ' O ' ' B' ' 64' ' ' ASN . 32.3 t70 -50.72 -29.08 10.42 Favored 'General case' 0 CA--C 1.504 -0.826 0 C-N-CA 123.204 0.601 . . . . 0.0 109.961 -178.393 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -169.81 -45.66 0.03 OUTLIER Glycine 0 C--N 1.307 -1.078 0 N-CA-C 108.914 -1.675 . . . . 0.0 108.914 177.535 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -110.66 153.36 25.34 Favored 'General case' 0 N--CA 1.437 -1.103 0 CA-C-N 114.341 -0.929 . . . . 0.0 108.514 174.171 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.4 p -126.05 129.94 72.24 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.231 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 173.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.409 ' CG ' ' N ' ' B' ' 71' ' ' PHE . 0.0 OUTLIER -93.96 177.06 6.11 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.172 -0.611 . . . . 0.0 111.374 -172.66 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.531 ' CD1' HD13 ' B' ' 12' ' ' ILE . 65.3 t80 -61.23 -45.47 94.42 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.624 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.447 ' HG3' HG11 ' A' ' 83' ' ' VAL . 25.6 mt-30 -61.03 -42.94 99.43 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 178.411 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.435 ' O ' HG12 ' B' ' 76' ' ' VAL . 97.9 mt-10 -66.74 -42.09 86.79 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.881 176.575 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . 0.437 ' CE1' HD11 ' B' ' 36' ' ' LEU . 34.7 t80 -61.12 -48.56 81.06 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.826 179.487 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.68 HG21 ' CB ' ' A' ' 79' ' ' ALA . 20.9 m -63.34 -42.49 96.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 119.994 -0.683 . . . . 0.0 111.884 -177.18 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.455 HG13 HD11 ' B' ' 61' ' ' LEU . 15.0 p -64.96 -38.67 83.39 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.717 0 C-N-CA 120.49 -0.484 . . . . 0.0 110.25 -179.038 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.563 HD12 HG12 ' B' ' 57' ' ' VAL . 62.2 tp -61.37 -48.35 81.69 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.505 179.199 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.765 HG12 HD23 ' B' ' 37' ' ' LEU . 21.5 m -69.61 -42.12 80.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 C-N-CA 120.002 -0.679 . . . . 0.0 110.354 177.191 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.782 ' CB ' HG21 ' A' ' 75' ' ' VAL . . . -61.71 -43.55 98.63 Favored 'General case' 0 CA--C 1.507 -0.691 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.95 -179.458 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.34 -48.4 76.85 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.81 -178.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 97.8 mt -63.7 -41.87 98.05 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.725 175.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.496 HG23 ' CE2' ' B' ' 44' ' ' PHE . 18.3 m -61.69 -50.57 71.94 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.789 -178.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 14.6 p -63.76 -43.43 97.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 120.43 -0.508 . . . . 0.0 110.245 178.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.22 -50.99 71.12 Favored 'General case' 0 CA--C 1.515 -0.385 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.056 179.463 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 85' ' ' MET . . . . . 0.464 ' SD ' ' HD1' ' B' ' 44' ' ' PHE . 0.0 OUTLIER -68.27 -48.19 65.69 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.979 179.098 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.62 ' OD1' ' NE1' ' B' ' 90' ' ' TRP . 1.8 t-20 -63.89 -39.01 93.18 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.297 -176.713 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . 0.446 ' HA ' ' CD2' ' B' ' 90' ' ' TRP . 19.7 t-20 -48.87 -33.85 11.45 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.895 177.805 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.573 ' O ' ' N ' ' B' ' 92' ' ' ASN . 85.2 t80 -58.16 -44.85 88.14 Favored 'General case' 0 C--O 1.217 -0.611 0 C-N-CA 120.347 -0.541 . . . . 0.0 109.83 177.433 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -61.83 -40.04 93.92 Favored 'General case' 0 C--N 1.318 -0.765 0 C-N-CA 120.379 -0.529 . . . . 0.0 110.41 176.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . 0.62 ' NE1' ' OD1' ' B' ' 86' ' ' ASN . 8.4 m0 -61.78 -45.93 91.74 Favored 'General case' 0 CA--C 1.502 -0.89 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 179.634 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -87.3 -10.8 51.38 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 115.174 -0.921 . . . . 0.0 112.018 -178.228 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . 0.573 ' N ' ' O ' ' B' ' 88' ' ' PHE . 64.6 t-20 -46.53 105.14 0.06 Allowed 'General case' 0 CA--C 1.502 -0.869 0 CA-C-O 120.994 0.426 . . . . 0.0 110.097 -178.751 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 10.2 m . . . . . 0 C--N 1.304 -1.4 0 CA-C-O 118.175 -0.917 . . . . 0.0 109.74 -175.38 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.594 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m -69.38 176.26 3.49 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 179.117 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -59.73 -47.19 86.63 Favored 'General case' 0 CA--C 1.502 -0.869 0 C-N-CA 120.534 -0.467 . . . . 0.0 110.439 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.817 HD21 HG21 ' B' ' 14' ' ' VAL . 2.4 mm? -62.21 -43.48 98.72 Favored 'General case' 0 C--N 1.306 -1.323 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 -179.398 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.404 ' O ' ' HG3' ' A' ' 9' ' ' GLU . 67.5 mt-10 -64.85 -47.43 77.98 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.245 177.722 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.471 ' O ' ' N ' ' A' ' 10' ' ' THR . 11.7 m -61.09 -43.66 98.55 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.96 176.603 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.67 -48.62 74.74 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 176.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.48 ' HG2' ' O ' ' A' ' 4' ' ' LEU . 97.1 mmm -64.45 -41.52 96.49 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.766 177.118 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.404 ' HG3' ' O ' ' A' ' 5' ' ' GLU . 99.3 mt-10 -63.07 -36.58 84.07 Favored 'General case' 0 C--O 1.24 0.592 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 177.506 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.471 ' N ' ' O ' ' A' ' 6' ' ' THR . 11.7 m -59.39 -45.46 91.41 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 176.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.819 HD23 HD22 ' B' ' 4' ' ' LEU . 91.5 mt -62.79 -41.0 99.06 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.745 176.181 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.531 HD13 ' CD1' ' A' ' 71' ' ' PHE . 23.5 mm -62.08 -44.03 98.48 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.631 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.022 178.273 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -59.76 -44.41 93.87 Favored 'General case' 0 C--N 1.317 -0.845 0 C-N-CA 120.13 -0.628 . . . . 0.0 109.916 -177.375 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.907 HG21 HD11 ' B' ' 4' ' ' LEU . 76.6 t -64.64 -49.16 81.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 C-N-CA 120.458 -0.497 . . . . 0.0 110.475 175.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -59.88 -47.6 85.11 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.534 0.683 . . . . 0.0 109.793 179.282 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -63.5 -45.84 88.83 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 114.99 -1.005 . . . . 0.0 110.105 -179.484 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.31 -50.03 74.23 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.39 179.319 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 -68.17 -36.21 79.26 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 120.515 -0.474 . . . . 0.0 111.073 178.361 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.3 m -54.53 -42.6 71.07 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 108.463 -0.939 . . . . 0.0 108.463 173.27 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.54 -36.94 92.51 Favored Glycine 0 N--CA 1.445 -0.727 0 N-CA-C 110.743 -0.943 . . . . 0.0 110.743 178.416 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -63.23 -42.12 99.2 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -175.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.635 ' CD ' ' H ' ' A' ' 29' ' ' SER . 0.2 OUTLIER -96.49 -70.04 0.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.066 -0.654 . . . . 0.0 112.395 -174.929 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -172.25 175.53 45.45 Favored Glycine 0 C--N 1.32 -0.33 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 -179.619 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.8 t70 64.95 147.94 0.03 OUTLIER 'General case' 0 CA--C 1.512 -0.489 0 C-N-CA 122.917 0.487 . . . . 0.0 110.262 -176.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.453 ' HD2' ' CE1' ' A' ' 26' ' ' TYR . 19.4 pttm -61.11 -40.9 95.53 Favored 'General case' 0 C--N 1.31 -1.144 0 C-N-CA 120.51 -0.476 . . . . 0.0 110.395 179.586 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.476 ' CE1' ' CD1' ' B' ' 90' ' ' TRP . 0.1 OUTLIER -152.86 92.63 1.67 Allowed 'General case' 0 C--O 1.242 0.698 0 C-N-CA 120.608 -0.437 . . . . 0.0 111.575 170.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.487 ' NZ ' ' OE1' ' A' ' 68' ' ' GLU . 7.1 mmmm -152.6 153.06 32.61 Favored 'General case' 0 C--N 1.314 -0.969 0 N-CA-C 106.608 -1.627 . . . . 0.0 106.608 166.401 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.521 ' HB3' HG13 ' A' ' 69' ' ' VAL . 46.1 tp -126.53 132.5 51.35 Favored 'General case' 0 C--N 1.306 -1.304 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 -176.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.635 ' H ' ' CD ' ' A' ' 22' ' ' GLU . 50.8 m -84.03 162.08 20.49 Favored 'General case' 0 C--N 1.311 -1.088 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 179.151 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.521 ' NZ ' ' O ' ' A' ' 64' ' ' ASN . 0.2 OUTLIER -71.43 -5.96 36.71 Favored 'General case' 0 C--N 1.309 -1.173 0 C-N-CA 120.229 -0.588 . . . . 0.0 110.572 -177.019 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.51 ' HG3' ' HB2' ' A' ' 29' ' ' SER . 1.4 pttt -75.29 -64.73 1.0 Allowed 'General case' 0 N--CA 1.473 0.723 0 CA-C-O 120.887 0.375 . . . . 0.0 110.104 179.043 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.409 ' HB2' HD11 ' A' ' 28' ' ' LEU . 67.8 mm-40 -61.07 -32.02 71.68 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.304 176.191 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.732 HD21 ' CD2' ' A' ' 77' ' ' LEU . 3.2 tm? -58.91 -49.1 79.09 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.308 -177.37 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.487 ' NZ ' ' O ' ' A' ' 30' ' ' LYS . 6.2 mttp -65.68 -44.7 85.41 Favored 'General case' 0 CA--C 1.512 -0.483 0 C-N-CA 119.757 -0.777 . . . . 0.0 110.657 178.362 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -68.09 -47.73 67.45 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.878 -174.439 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.585 ' C ' HD12 ' A' ' 36' ' ' LEU . 0.4 OUTLIER -69.75 -41.1 75.65 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 179.713 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.641 HD13 ' C ' ' A' ' 37' ' ' LEU . 2.7 tm? -61.74 -47.96 82.89 Favored 'General case' 0 C--O 1.238 0.463 0 C-N-CA 120.249 -0.581 . . . . 0.0 111.106 -176.113 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -65.96 -43.31 88.32 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 119.881 -0.728 . . . . 0.0 109.825 177.417 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 96.1 m -62.36 -50.55 71.13 Favored 'General case' 0 N--CA 1.442 -0.852 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.513 179.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.804 ' HB3' HD12 ' B' ' 4' ' ' LEU . 64.1 mm-40 -70.88 -39.13 73.0 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 120.512 -0.475 . . . . 0.0 112.126 -176.262 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.1 mp -108.7 33.84 3.99 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -177.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 46' ' ' ASP . 67.7 m -52.75 -39.75 62.48 Favored 'General case' 0 C--N 1.319 -0.752 0 C-N-CA 120.217 -0.593 . . . . 0.0 110.758 -177.524 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.21 -48.95 64.48 Favored Glycine 0 CA--C 1.529 0.924 0 N-CA-C 111.75 -0.54 . . . . 0.0 111.75 178.076 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.616 ' CZ ' HG23 ' A' ' 82' ' ' THR . 0.3 OUTLIER -65.47 -42.92 91.76 Favored 'General case' 0 CA--C 1.508 -0.648 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 178.482 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.647 HD12 ' NE2' ' A' ' 48' ' ' GLN . 47.9 tp -62.56 -44.54 96.09 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 114.708 -1.133 . . . . 0.0 111.189 177.166 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.564 ' O ' ' NZ ' ' A' ' 49' ' ' LYS . 22.7 t70 -59.95 -42.6 94.43 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.234 -0.439 . . . . 0.0 112.028 -178.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.63 ' CB ' ' SD ' ' A' ' 85' ' ' MET . . . -61.2 -24.05 66.05 Favored 'General case' 0 C--N 1.311 -1.068 0 N-CA-C 112.659 0.615 . . . . 0.0 112.659 -174.569 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.647 ' NE2' HD12 ' A' ' 45' ' ' LEU . 1.9 pp0? -129.36 37.45 4.01 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 -175.47 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.564 ' NZ ' ' O ' ' A' ' 46' ' ' ASP . 37.1 mtmm -61.04 -37.7 83.53 Favored 'General case' 0 C--O 1.237 0.427 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 177.729 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.7 p-10 -84.81 10.54 11.23 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.489 -1.232 . . . . 0.0 111.413 -176.22 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.457 ' HB ' ' HB2' ' A' ' 48' ' ' GLN . 46.1 t -109.64 132.25 58.34 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 CA-C-O 120.673 0.273 . . . . 0.0 110.356 -175.278 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.456 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 25.4 t70 -58.95 -35.47 73.18 Favored 'General case' 0 CA--C 1.504 -0.813 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.762 -178.398 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.851 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -49.28 -27.56 3.92 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.049 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.638 HG23 HE22 ' A' ' 48' ' ' GLN . 1.7 p -58.43 -44.47 88.85 Favored 'Isoleucine or valine' 0 C--O 1.242 0.681 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.079 178.641 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.479 ' O ' ' N ' ' A' ' 59' ' ' LYS . 27.4 t70 -64.19 -45.47 88.18 Favored 'General case' 0 CA--C 1.496 -1.129 0 CA-C-O 121.279 0.562 . . . . 0.0 109.598 174.28 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.456 ' NZ ' ' OD2' ' A' ' 52' ' ' ASP . 6.9 mmtp -62.75 -39.66 94.83 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.574 -174.378 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.851 HG23 ' O ' ' A' ' 53' ' ' ALA . 93.2 t -59.68 -46.83 92.94 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.985 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 176.377 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 15.3 mmm -64.88 -44.15 90.59 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.283 177.108 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 55' ' ' ASP . 1.0 OUTLIER -66.2 -43.29 87.2 Favored 'General case' 0 N--CA 1.443 -0.803 0 CA-C-N 114.641 -1.163 . . . . 0.0 111.621 -173.678 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -57.24 -43.24 82.74 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 177.426 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.967 ' HG ' HD13 ' A' ' 77' ' ' LEU . 1.1 mm? -64.73 -40.01 94.6 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.89 172.167 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.468 ' O ' ' N ' ' A' ' 65' ' ' GLY . 24.7 t70 -64.8 -34.64 78.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.95 -176.571 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -54.14 -38.12 65.14 Favored 'General case' 0 CA--C 1.503 -0.858 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 178.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.521 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . 12.9 t-20 -102.64 35.99 2.31 Favored 'General case' 0 N--CA 1.438 -1.026 0 CA-C-N 115.045 -0.979 . . . . 0.0 109.197 173.059 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.48 ' HA2' ' HG3' ' A' ' 30' ' ' LYS . . . -83.91 7.48 70.28 Favored Glycine 0 C--N 1.319 -0.366 0 N-CA-C 108.623 -1.791 . . . . 0.0 108.623 176.323 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -57.55 -44.71 85.42 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.581 -0.809 . . . . 0.0 110.611 -177.095 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -140.0 -75.11 0.05 OUTLIER Glycine 0 C--O 1.239 0.433 0 N-CA-C 111.6 -0.6 . . . . 0.0 111.6 -179.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.487 ' OE1' ' NZ ' ' A' ' 27' ' ' LYS . 3.5 mp0 -122.78 -178.6 3.98 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.434 0.635 . . . . 0.0 111.557 -176.228 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.589 HG23 ' CB ' ' A' ' 73' ' ' GLU . 1.6 p -128.23 131.89 68.81 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.217 0 N-CA-C 107.507 -1.294 . . . . 0.0 107.507 171.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.85 179.91 5.32 Favored 'General case' 0 C--N 1.318 -0.802 0 C-N-CA 120.294 -0.563 . . . . 0.0 110.627 -178.557 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.531 ' CD1' HD13 ' A' ' 12' ' ' ILE . 40.8 t80 -61.83 -44.09 97.54 Favored 'General case' 0 C--N 1.308 -1.203 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.885 179.651 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.416 ' O ' HG22 ' A' ' 75' ' ' VAL . 78.9 mt-30 -58.22 -44.24 88.09 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 120.285 -0.566 . . . . 0.0 110.691 177.489 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.589 ' CB ' HG23 ' A' ' 69' ' ' VAL . 87.1 mt-10 -65.71 -40.68 92.48 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.295 0.569 . . . . 0.0 109.922 175.312 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -60.74 -47.82 84.56 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.178 -179.234 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.589 HG11 ' HB2' ' B' ' 79' ' ' ALA . 21.1 m -64.03 -43.15 97.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 C-N-CA 119.854 -0.738 . . . . 0.0 111.548 -179.687 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.462 HG12 ' HA ' ' A' ' 73' ' ' GLU . 11.3 p -65.38 -34.35 69.88 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.451 0 C-N-CA 119.857 -0.737 . . . . 0.0 109.948 178.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.967 HD13 ' HG ' ' A' ' 61' ' ' LEU . 51.0 tp -60.78 -49.34 77.88 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 178.193 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.512 HG12 HD23 ' A' ' 37' ' ' LEU . 31.8 m -71.54 -41.52 72.28 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.64 0 C-N-CA 120.184 -0.607 . . . . 0.0 111.033 176.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.634 ' CB ' HG21 ' B' ' 75' ' ' VAL . . . -63.11 -38.67 92.1 Favored 'General case' 0 CA--C 1.506 -0.746 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.874 178.568 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.656 ' HB1' HG22 ' A' ' 57' ' ' VAL . . . -57.88 -47.54 82.46 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 -179.404 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.702 ' HG ' HG11 ' A' ' 57' ' ' VAL . 87.5 mt -62.8 -42.55 99.76 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 121.249 0.547 . . . . 0.0 109.58 173.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.616 HG23 ' CZ ' ' A' ' 44' ' ' PHE . 10.9 m -62.27 -50.44 71.67 Favored 'General case' 0 N--CA 1.445 -0.725 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.721 -177.107 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.446 HG11 ' HG3' ' B' ' 72' ' ' GLN . 11.7 p -63.9 -44.13 97.95 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.335 0 C-N-CA 120.039 -0.664 . . . . 0.0 109.908 178.413 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.84 -53.51 57.39 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.998 -179.097 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.63 ' SD ' ' CB ' ' A' ' 47' ' ' ALA . 16.5 ttp -67.16 -43.93 81.03 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 119.498 -0.881 . . . . 0.0 110.159 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.609 ' ND2' HG13 ' B' ' 12' ' ' ILE . 83.5 m-20 -62.9 -35.37 79.81 Favored 'General case' 0 CA--C 1.502 -0.892 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.076 -178.253 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -45.77 -39.22 7.96 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 176.474 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -63.6 -39.38 94.23 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.761 179.274 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -56.58 -46.57 80.71 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 121.256 0.55 . . . . 0.0 109.891 -178.459 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 23.2 m95 -85.34 -32.76 22.29 Favored 'General case' 0 C--N 1.302 -1.472 0 CA-C-N 115.227 -0.897 . . . . 0.0 112.518 -173.031 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -87.5 -56.94 3.14 Favored 'General case' 0 C--N 1.304 -1.391 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.574 -177.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -132.42 99.94 4.83 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.089 -178.141 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.0 m . . . . . 0 C--O 1.206 -1.212 0 CA-C-O 118.007 -0.997 . . . . 0.0 110.091 179.33 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.466 0 N-CA-C 110.751 -0.94 . . . . 0.0 110.751 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . 0.433 ' C ' ' N ' ' B' ' 4' ' ' LEU . 6.1 m -72.54 175.5 6.26 Favored 'General case' 0 C--N 1.314 -0.948 0 C-N-CA 122.286 0.235 . . . . 0.0 111.505 -177.132 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -49.04 -17.85 0.24 Allowed 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.631 176.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.907 HD11 HG21 ' A' ' 14' ' ' VAL . 73.0 mt -60.52 -41.08 93.68 Favored 'General case' 0 N--CA 1.435 -1.216 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 -177.511 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.416 ' HG2' ' HD2' ' A' ' 44' ' ' PHE . 96.1 mt-10 -61.82 -43.09 99.54 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 119.503 -0.879 . . . . 0.0 108.963 178.086 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.409 ' O ' ' N ' ' B' ' 10' ' ' THR . 6.8 m -62.62 -45.27 93.64 Favored 'General case' 0 N--CA 1.443 -0.8 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 175.782 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.07 -46.3 88.62 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.02 178.361 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . 0.616 ' SD ' HD11 ' A' ' 11' ' ' LEU . 94.0 mmm -63.29 -41.7 99.01 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.372 -0.531 . . . . 0.0 110.181 178.534 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -62.12 -37.27 84.51 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.358 173.51 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.409 ' N ' ' O ' ' B' ' 6' ' ' THR . 7.5 m -60.79 -43.66 97.81 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.428 -0.952 . . . . 0.0 108.428 176.723 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.69 HD23 HD13 ' A' ' 4' ' ' LEU . 82.7 mt -62.58 -41.5 98.97 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.949 174.214 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.609 HG13 ' ND2' ' A' ' 86' ' ' ASN . 14.7 mm -62.3 -43.86 98.52 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.661 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.384 -178.688 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -60.32 -44.78 95.15 Favored 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 120.183 -0.607 . . . . 0.0 110.726 -175.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.817 HG21 HD21 ' A' ' 4' ' ' LEU . 89.3 t -65.0 -48.19 85.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 C-N-CA 120.521 -0.472 . . . . 0.0 110.573 176.41 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.538 ' CE1' ' HB2' ' B' ' 28' ' ' LEU . 82.5 t80 -60.68 -47.94 83.99 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.444 0.64 . . . . 0.0 110.04 178.453 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.537 ' ND1' ' O ' ' B' ' 25' ' ' LYS . 6.2 t60 -62.71 -43.72 98.08 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-N 115.142 -0.936 . . . . 0.0 109.507 179.576 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.481 ' O ' ' HG2' ' B' ' 21' ' ' LYS . . . -60.27 -51.17 70.7 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.366 175.457 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.443 ' HA ' ' CG ' ' B' ' 21' ' ' LYS . 72.3 m-70 -65.44 -34.93 79.45 Favored 'General case' 0 CA--C 1.503 -0.859 0 C-N-CA 120.663 -0.415 . . . . 0.0 111.524 177.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.476 ' HA ' ' O ' ' B' ' 27' ' ' LYS . 43.8 m -56.62 -41.33 76.91 Favored 'General case' 0 N--CA 1.447 -0.588 0 N-CA-C 107.861 -1.163 . . . . 0.0 107.861 173.546 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.72 -41.18 99.04 Favored Glycine 0 N--CA 1.442 -0.901 0 N-CA-C 110.015 -1.234 . . . . 0.0 110.015 174.092 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.481 ' HG2' ' O ' ' B' ' 17' ' ' ALA . 75.6 mmtt -63.27 -43.2 98.61 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 179.577 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -67.0 -41.48 86.63 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.816 176.28 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 122.64 28.14 1.48 Allowed Glycine 0 CA--C 1.523 0.556 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.712 176.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -133.08 158.17 43.44 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-N 117.075 0.438 . . . . 0.0 111.258 179.143 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.556 ' H ' ' HD3' ' B' ' 25' ' ' LYS . 0.2 OUTLIER -64.58 -46.92 80.66 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 175.434 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.462 ' H ' ' HG2' ' B' ' 25' ' ' LYS . 8.3 p90 -155.16 91.6 1.36 Allowed 'General case' 0 C--O 1.241 0.614 0 CA-C-O 121.325 0.583 . . . . 0.0 111.563 169.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.476 ' O ' ' HA ' ' B' ' 19' ' ' SER . 7.4 mmmm -158.29 153.5 25.61 Favored 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 105.746 -1.946 . . . . 0.0 105.746 167.705 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.538 ' HB2' ' CE1' ' B' ' 15' ' ' PHE . 50.2 tp -129.49 128.8 43.61 Favored 'General case' 0 C--N 1.301 -1.521 0 C-N-CA 119.961 -0.696 . . . . 0.0 110.712 179.542 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 8.2 p -83.71 165.65 18.73 Favored 'General case' 0 C--N 1.308 -1.214 0 CA-C-O 121.003 0.43 . . . . 0.0 111.289 178.337 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.46 ' HZ3' ' HA2' ' B' ' 65' ' ' GLY . 0.8 OUTLIER -73.19 -4.13 30.99 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.371 -176.223 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.483 ' H ' ' HG3' ' B' ' 31' ' ' LYS . 0.0 OUTLIER -82.65 -68.06 0.73 Allowed 'General case' 0 N--CA 1.474 0.745 0 CA-C-O 121.454 0.645 . . . . 0.0 110.013 177.342 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.439 ' HB2' HD11 ' B' ' 28' ' ' LEU . 74.1 mm-40 -56.12 -38.41 70.74 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.008 -0.996 . . . . 0.0 110.176 -179.688 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.931 HD21 HD23 ' B' ' 77' ' ' LEU . 2.4 tm? -59.76 -45.29 92.71 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.31 -174.507 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 49.3 mttp -63.7 -43.89 95.28 Favored 'General case' 0 C--N 1.318 -0.774 0 C-N-CA 119.59 -0.844 . . . . 0.0 109.591 -178.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.461 ' O ' ' OG1' ' B' ' 39' ' ' THR . 68.1 mt-10 -65.53 -46.07 81.02 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.256 -0.884 . . . . 0.0 109.123 179.554 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.785 HD21 ' CE1' ' B' ' 74' ' ' TYR . 2.6 tp -61.73 -49.58 75.88 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 115.34 -0.846 . . . . 0.0 111.667 176.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.824 HD21 HD12 ' B' ' 81' ' ' LEU . 2.6 tm? -63.12 -46.22 88.31 Favored 'General case' 0 C--N 1.317 -0.824 0 C-N-CA 120.808 -0.357 . . . . 0.0 111.384 -176.385 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -66.3 -40.9 90.3 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 119.768 -0.773 . . . . 0.0 110.505 177.406 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.461 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 72.4 m -64.43 -54.6 30.09 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.699 -0.682 . . . . 0.0 112.673 -177.752 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -70.64 -43.18 69.75 Favored 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 112.478 0.547 . . . . 0.0 112.478 -176.208 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.417 ' HB3' ' HB2' ' B' ' 44' ' ' PHE . 9.4 mp -102.01 35.0 2.49 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.488 -178.108 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.56 -37.85 71.12 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.926 -177.422 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.07 -46.56 64.95 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.676 -0.969 . . . . 0.0 110.676 176.312 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.643 ' HA ' ' SD ' ' B' ' 85' ' ' MET . 51.4 m-85 -63.57 -45.53 90.04 Favored 'General case' 0 CA--C 1.509 -0.615 0 CA-C-O 121.249 0.547 . . . . 0.0 110.161 177.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.498 ' O ' HD12 ' B' ' 45' ' ' LEU . 3.5 tp -61.59 -49.28 77.26 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.912 179.8 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -64.17 -43.26 95.66 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.373 -178.118 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.59 -46.62 89.08 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.072 -175.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.27 38.19 2.63 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 -174.607 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.432 ' HG3' ' O ' ' B' ' 45' ' ' LEU . 30.0 mtmt -63.01 -39.31 94.38 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 175.297 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -82.35 -1.78 50.82 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 113.925 -1.488 . . . . 0.0 110.712 -169.393 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 16.8 t -90.65 133.05 33.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.76 -0.654 . . . . 0.0 109.716 179.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.459 ' OD2' ' NZ ' ' B' ' 56' ' ' LYS . 32.0 t70 -57.04 -38.02 72.59 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 121.0 0.429 . . . . 0.0 111.089 -177.249 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.765 ' O ' HG23 ' B' ' 57' ' ' VAL . . . -53.34 -26.33 18.6 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.717 -179.217 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.526 ' O ' ' HG2' ' B' ' 58' ' ' MET . 0.8 OUTLIER -58.76 -45.28 91.3 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 C-N-CA 120.224 -0.59 . . . . 0.0 109.752 179.256 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.51 ' O ' ' HB2' ' B' ' 59' ' ' LYS . 34.2 t70 -61.19 -46.46 90.4 Favored 'General case' 0 CA--C 1.489 -1.381 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 174.337 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . 0.459 ' NZ ' ' OD2' ' B' ' 52' ' ' ASP . 34.6 mmtm -61.41 -39.7 91.72 Favored 'General case' 0 N--CA 1.435 -1.195 0 CA-C-N 114.848 -1.069 . . . . 0.0 109.226 -175.398 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.779 HG11 ' HG ' ' B' ' 81' ' ' LEU . 72.3 t -61.06 -48.72 87.77 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.739 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.01 178.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . 0.544 ' O ' ' N ' ' B' ' 62' ' ' ASP . 9.3 ptm -68.12 -37.36 81.02 Favored 'General case' 0 CA--C 1.518 -0.273 0 C-N-CA 120.192 -0.603 . . . . 0.0 109.944 175.462 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . 0.51 ' HB2' ' O ' ' B' ' 55' ' ' ASP . 3.2 tptm -59.89 -42.88 94.78 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.545 -178.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 74.2 tt0 -61.6 -41.28 97.22 Favored 'General case' 0 C--O 1.241 0.609 0 N-CA-C 108.852 -0.795 . . . . 0.0 108.852 176.59 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.789 ' HG ' HD13 ' B' ' 77' ' ' LEU . 2.1 mm? -65.91 -33.37 75.67 Favored 'General case' 0 C--O 1.242 0.701 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.585 172.699 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.544 ' N ' ' O ' ' B' ' 58' ' ' MET . 34.1 t70 -61.67 -38.99 89.84 Favored 'General case' 0 CA--C 1.513 -0.474 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.693 178.144 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -62.59 -42.84 99.8 Favored 'General case' 0 CA--C 1.505 -0.766 0 N-CA-C 107.124 -1.436 . . . . 0.0 107.124 174.052 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . 0.494 ' HB3' ' O ' ' B' ' 61' ' ' LEU . 24.6 t-20 -62.43 -7.1 3.95 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 114.103 -1.408 . . . . 0.0 110.114 174.77 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.46 ' HA2' ' HZ3' ' B' ' 30' ' ' LYS . . . -69.48 9.16 2.6 Favored Glycine 0 CA--C 1.522 0.498 0 N-CA-C 110.206 -1.158 . . . . 0.0 110.206 174.357 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.481 ' H ' ' C ' ' B' ' 64' ' ' ASN . 29.3 t70 -59.4 -40.98 88.34 Favored 'General case' 0 CA--C 1.513 -0.455 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 177.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -147.93 -82.11 0.04 OUTLIER Glycine 0 C--N 1.32 -0.319 0 N-CA-C 110.207 -1.157 . . . . 0.0 110.207 179.038 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.462 ' OE1' ' NZ ' ' B' ' 27' ' ' LYS . 98.3 mt-10 -138.17 173.71 11.33 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 123.094 0.558 . . . . 0.0 109.986 179.781 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.492 HG13 ' HB3' ' B' ' 28' ' ' LEU . 0.5 OUTLIER -106.8 124.79 62.67 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.794 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 173.099 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.598 ' CG ' ' N ' ' B' ' 71' ' ' PHE . 0.0 OUTLIER -93.36 178.75 5.62 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.208 -178.801 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.598 ' N ' ' CG ' ' B' ' 70' ' ' ASP . 65.2 t80 -60.53 -45.45 93.8 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.708 -0.397 . . . . 0.0 111.025 -176.693 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.557 HE21 ' HB2' ' A' ' 80' ' ' ALA . 80.5 mt-30 -60.42 -40.87 92.56 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 177.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.49 ' O ' HG22 ' B' ' 76' ' ' VAL . 94.3 mt-10 -68.13 -38.96 82.78 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 114.742 -1.117 . . . . 0.0 110.034 178.19 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . 0.785 ' CE1' HD21 ' B' ' 36' ' ' LEU . 25.7 t80 -61.83 -45.96 91.57 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.79 -0.641 . . . . 0.0 112.066 177.347 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.634 HG21 ' CB ' ' A' ' 79' ' ' ALA . 25.6 m -64.48 -40.2 88.22 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 C-N-CA 120.146 -0.622 . . . . 0.0 111.694 -176.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.539 ' O ' ' N ' ' B' ' 80' ' ' ALA . 34.7 m -64.44 -38.15 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.787 0 C-N-CA 120.124 -0.63 . . . . 0.0 111.127 179.694 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.931 HD23 HD21 ' B' ' 33' ' ' LEU . 49.1 tp -60.96 -48.93 79.55 Favored 'General case' 0 CA--C 1.511 -0.528 0 C-N-CA 120.378 -0.529 . . . . 0.0 110.661 179.359 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.632 HG12 HD23 ' B' ' 37' ' ' LEU . 32.7 m -68.9 -41.63 82.11 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.956 0 C-N-CA 119.938 -0.705 . . . . 0.0 110.607 178.151 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.589 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -61.96 -39.22 91.41 Favored 'General case' 0 CA--C 1.503 -0.832 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.014 176.617 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . 0.636 ' HB3' HG13 ' B' ' 57' ' ' VAL . . . -56.31 -49.24 74.87 Favored 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.264 -177.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.824 HD12 HD21 ' B' ' 37' ' ' LEU . 85.7 mt -62.95 -41.98 99.67 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-O 121.404 0.621 . . . . 0.0 109.347 174.252 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.828 HG22 ' OD1' ' B' ' 86' ' ' ASN . 8.2 m -62.15 -50.71 70.76 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.525 -177.45 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 12.0 p -63.03 -43.59 99.13 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.47 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -58.4 -50.88 72.09 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.159 177.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 85' ' ' MET . . . . . 0.643 ' SD ' ' HA ' ' B' ' 44' ' ' PHE . 27.1 ttt -68.77 -39.94 79.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.769 178.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.828 ' OD1' HG22 ' B' ' 82' ' ' THR . 5.6 m120 -56.52 -31.11 63.8 Favored 'General case' 0 CA--C 1.501 -0.94 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.541 -177.567 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -61.09 -41.18 96.19 Favored 'General case' 0 C--N 1.306 -1.319 0 C-N-CA 119.699 -0.801 . . . . 0.0 108.965 176.427 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -70.72 -42.17 70.94 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.948 175.681 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . 0.496 ' HB2' ' O ' ' B' ' 86' ' ' ASN . 1.3 m-85 -27.45 -59.44 0.1 Allowed 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 123.645 0.778 . . . . 0.0 112.874 -175.017 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . 0.476 ' CD1' ' CE1' ' A' ' 26' ' ' TYR . 1.8 m95 -83.07 -55.05 4.59 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.814 -171.408 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -70.88 -43.67 67.89 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.174 -0.921 . . . . 0.0 112.666 -173.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 -132.17 99.21 4.63 Favored 'General case' 0 CA--C 1.505 -0.777 0 CA-C-O 120.879 0.371 . . . . 0.0 110.152 -176.54 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . 0.417 ' HB2' ' O ' ' B' ' 89' ' ' PHE . 2.6 m . . . . . 0 C--N 1.314 -0.974 0 CA-C-O 118.158 -0.925 . . . . 0.0 109.693 -178.419 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.243 0.68 0 N-CA-C 110.621 -0.992 . . . . 0.0 110.621 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.403 ' C ' ' N ' ' A' ' 4' ' ' LEU . 4.7 m -68.61 170.13 9.81 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 175.62 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.521 ' H ' ' CD ' ' A' ' 3' ' ' GLU . 56.0 mp0 -53.7 -23.82 12.71 Favored 'General case' 0 C--N 1.315 -0.925 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 175.741 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.899 HD23 ' CB ' ' B' ' 40' ' ' GLU . 2.3 tp -59.89 -46.68 88.55 Favored 'General case' 0 N--CA 1.435 -1.181 0 CA-C-N 114.407 -1.269 . . . . 0.0 110.252 -178.696 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -67.76 -45.06 76.01 Favored 'General case' 0 CA--C 1.515 -0.368 0 C-N-CA 119.467 -0.893 . . . . 0.0 109.801 177.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.7 m -64.24 -44.64 91.22 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.618 -179.4 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.413 ' N ' ' O ' ' A' ' 3' ' ' GLU . . . -57.36 -42.71 82.59 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-O 120.907 0.384 . . . . 0.0 110.085 -178.68 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.735 ' SD ' HD11 ' B' ' 11' ' ' LEU . 97.8 mmm -63.12 -42.45 99.53 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.296 -0.562 . . . . 0.0 110.042 178.619 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.455 ' CD ' HD22 ' B' ' 86' ' ' ASN . 61.5 mm-40 -63.54 -37.27 86.68 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-O 121.192 0.52 . . . . 0.0 110.041 174.312 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.3 m -59.68 -44.21 93.72 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 175.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.42 ' CD2' HD13 ' B' ' 4' ' ' LEU . 50.2 mt -63.52 -39.43 94.41 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.838 175.304 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.846 HG21 ' ND2' ' B' ' 86' ' ' ASN . 20.5 mm -62.02 -43.45 97.65 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.757 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 177.724 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 -59.79 -40.84 89.64 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 120.545 -0.462 . . . . 0.0 110.736 -177.159 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.688 HG21 HD23 ' B' ' 4' ' ' LEU . 97.1 t -62.61 -47.32 93.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 174.685 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.502 ' CE2' ' HB2' ' A' ' 28' ' ' LEU . 48.3 t80 -60.44 -46.85 88.54 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.641 0.734 . . . . 0.0 110.17 177.109 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.608 ' HA ' ' CH2' ' B' ' 90' ' ' TRP . 1.3 t-80 -58.79 -41.8 87.57 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.026 -0.988 . . . . 0.0 110.505 -176.711 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.09 -49.3 77.42 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.666 179.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.486 ' ND1' ' HB3' ' A' ' 32' ' ' GLU . 93.4 m-70 -66.88 -39.47 87.52 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 112.265 0.469 . . . . 0.0 112.265 -177.512 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 48.8 m -55.59 -41.21 73.05 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 120.062 -0.655 . . . . 0.0 109.591 177.536 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.37 -39.21 97.47 Favored Glycine 0 N--CA 1.453 -0.222 0 N-CA-C 110.443 -1.063 . . . . 0.0 110.443 176.361 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -65.29 -46.37 80.66 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 121.04 -0.264 . . . . 0.0 110.438 179.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.536 ' CD ' ' H ' ' A' ' 29' ' ' SER . 98.8 mt-10 -70.13 -38.79 75.63 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.53 179.696 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 117.54 -9.66 14.72 Favored Glycine 0 N--CA 1.464 0.52 0 C-N-CA 121.371 -0.442 . . . . 0.0 113.436 172.688 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -70.7 155.3 40.93 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 117.71 0.755 . . . . 0.0 110.365 178.415 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.6 mtmt -61.25 -45.6 93.86 Favored 'General case' 0 CA--C 1.487 -1.455 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 178.605 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.48 ' HB3' ' CE3' ' B' ' 90' ' ' TRP . 0.1 OUTLIER -159.38 94.53 1.18 Allowed 'General case' 0 N--CA 1.432 -1.328 0 CA-C-N 114.876 -1.057 . . . . 0.0 110.624 173.005 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.558 ' HE2' ' HB2' ' A' ' 68' ' ' GLU . 1.9 mmtm -160.39 158.22 29.17 Favored 'General case' 0 C--N 1.314 -0.946 0 C-N-CA 124.299 1.039 . . . . 0.0 108.53 173.269 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.502 ' HB2' ' CE2' ' A' ' 15' ' ' PHE . 52.7 tp -124.78 134.31 52.83 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 173.328 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.552 ' HB2' ' HG3' ' A' ' 31' ' ' LYS . 4.2 m -105.2 172.87 6.56 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 -179.686 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.532 ' CG ' ' HA2' ' A' ' 65' ' ' GLY . 1.0 OUTLIER -78.47 -5.11 51.59 Favored 'General case' 0 C--N 1.31 -1.114 0 C-N-CA 119.898 -0.721 . . . . 0.0 111.669 -175.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.552 ' HG3' ' HB2' ' A' ' 29' ' ' SER . 0.1 OUTLIER -65.75 -66.37 0.56 Allowed 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 175.452 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.486 ' HB3' ' ND1' ' A' ' 18' ' ' HIS . 72.8 mm-40 -67.47 -42.69 82.59 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 114.9 -1.045 . . . . 0.0 110.781 179.559 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.634 ' C ' HD13 ' A' ' 33' ' ' LEU . 3.0 tm? -60.63 -45.33 94.45 Favored 'General case' 0 CA--C 1.51 -0.574 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.926 -172.545 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 40.5 mtpt -62.67 -40.18 96.27 Favored 'General case' 0 N--CA 1.441 -0.925 0 C-N-CA 119.854 -0.738 . . . . 0.0 110.136 179.087 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.416 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 72.9 mt-10 -68.39 -50.83 50.21 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-O 121.038 0.447 . . . . 0.0 110.541 174.585 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.6 ' C ' HD12 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -62.97 -44.91 94.75 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 -175.422 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.663 HD13 ' C ' ' A' ' 37' ' ' LEU . 3.1 tm? -61.27 -48.02 83.35 Favored 'General case' 0 C--N 1.315 -0.916 0 C-N-CA 119.362 -0.935 . . . . 0.0 110.576 -176.507 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.428 ' HA ' HD22 ' A' ' 45' ' ' LEU . 10.6 pt20 -66.88 -42.8 84.96 Favored 'General case' 0 C--O 1.244 0.773 0 CA-C-O 121.408 0.623 . . . . 0.0 110.605 176.454 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 94.6 m -64.95 -47.9 75.98 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.58 -0.736 . . . . 0.0 112.514 -179.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -79.88 -37.59 34.47 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -175.161 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.57 HD22 HD21 ' A' ' 37' ' ' LEU . 10.3 mp -101.14 31.88 3.47 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-O 120.931 0.396 . . . . 0.0 110.557 -179.592 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.3 m -51.58 -38.98 56.97 Favored 'General case' 0 C--N 1.308 -1.199 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.509 -177.192 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.409 ' H ' ' H1 ' ' B' ' 1' ' ' GLY . . . -67.32 -49.21 53.68 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 111.677 -0.569 . . . . 0.0 111.677 178.012 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.61 ' CZ ' HG23 ' A' ' 82' ' ' THR . 3.6 m-85 -65.18 -42.33 93.73 Favored 'General case' 0 CA--C 1.493 -1.246 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 177.722 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.525 HD13 ' CE ' ' A' ' 58' ' ' MET . 40.6 tp -59.04 -47.25 85.92 Favored 'General case' 0 N--CA 1.43 -1.428 0 CA-C-N 114.965 -1.016 . . . . 0.0 110.82 178.003 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -64.81 -42.68 94.8 Favored 'General case' 0 C--N 1.316 -0.851 0 C-N-CA 120.438 -0.505 . . . . 0.0 111.493 174.392 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.733 ' HB1' ' CE ' ' A' ' 85' ' ' MET . . . -58.67 -48.91 79.45 Favored 'General case' 0 C--O 1.239 0.54 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.509 -176.721 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.536 ' CD ' HG11 ' A' ' 54' ' ' VAL . 0.0 OUTLIER -107.02 15.95 24.73 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -178.2 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.464 ' HB2' ' O ' ' A' ' 45' ' ' LEU . 43.8 tttp -55.7 -41.88 74.45 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 179.396 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -60.71 -25.04 66.13 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 114.479 -1.237 . . . . 0.0 111.573 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.444 ' C ' ' H ' ' A' ' 53' ' ' ALA . 51.6 t -64.97 -22.43 31.4 Favored 'Isoleucine or valine' 0 C--O 1.24 0.567 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 -178.163 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.476 ' OD1' ' NZ ' ' A' ' 56' ' ' LYS . 2.8 t70 64.67 -43.0 0.3 Allowed 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.689 -179.259 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.706 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -52.06 -26.69 11.58 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 179.77 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.536 HG11 ' CD ' ' A' ' 48' ' ' GLN . 27.1 m -60.91 -44.83 98.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 115.311 -0.858 . . . . 0.0 110.984 177.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.444 ' N ' HG23 ' A' ' 54' ' ' VAL . 23.8 t70 -60.04 -45.84 91.49 Favored 'General case' 0 CA--C 1.5 -0.976 0 CA-C-O 122.203 1.001 . . . . 0.0 108.695 174.416 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.476 ' NZ ' ' OD1' ' A' ' 52' ' ' ASP . 43.7 mttp -63.16 -35.08 79.11 Favored 'General case' 0 C--N 1.294 -1.82 0 CA-C-N 113.862 -1.517 . . . . 0.0 110.858 179.424 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 53' ' ' ALA . 92.9 t -62.58 -45.61 98.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 172.666 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.525 ' CE ' HD13 ' A' ' 45' ' ' LEU . 57.8 mtt -61.14 -41.39 96.65 Favored 'General case' 0 CA--C 1.498 -1.023 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 177.538 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.0 tptp -62.82 -39.73 95.22 Favored 'General case' 0 C--N 1.302 -1.465 0 CA-C-N 113.683 -1.599 . . . . 0.0 109.161 179.438 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' A' ' 56' ' ' LYS . 38.2 tp10 -59.64 -45.87 90.7 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 176.312 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.617 ' HG ' HD22 ' A' ' 77' ' ' LEU . 2.3 mm? -64.03 -38.67 91.92 Favored 'General case' 0 C--O 1.245 0.842 0 CA-C-N 115.362 -0.836 . . . . 0.0 110.173 173.083 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' A' ' 58' ' ' MET . 22.2 t70 -60.49 -34.94 74.78 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.056 -176.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.431 ' C ' ' H ' ' A' ' 65' ' ' GLY . 97.8 mt-10 -53.27 -45.29 68.81 Favored 'General case' 0 CA--C 1.506 -0.74 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 178.322 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.515 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . 16.0 t-20 -79.8 37.33 0.35 Allowed 'General case' 0 C--N 1.311 -1.07 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.45 176.03 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.532 ' HA2' ' CG ' ' A' ' 30' ' ' LYS . . . -93.37 -7.47 61.99 Favored Glycine 0 CA--C 1.51 -0.272 0 N-CA-C 108.979 -1.649 . . . . 0.0 108.979 177.547 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -62.77 -42.1 99.53 Favored 'General case' 0 CA--C 1.503 -0.832 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 172.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -114.62 -155.82 11.26 Favored Glycine 0 N--CA 1.437 -1.29 0 CA-C-N 114.465 -1.243 . . . . 0.0 110.362 178.553 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.558 ' HB2' ' HE2' ' A' ' 27' ' ' LYS . 1.1 mp0 -90.65 171.06 9.64 Favored 'General case' 0 C--N 1.308 -1.234 0 C-N-CA 122.397 0.279 . . . . 0.0 110.918 -178.737 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.586 HG23 ' HB2' ' A' ' 73' ' ' GLU . 2.2 p -120.25 128.63 75.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 172.249 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -96.6 -176.94 3.76 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-O 121.131 0.491 . . . . 0.0 110.965 -175.708 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.657 ' O ' HG22 ' A' ' 75' ' ' VAL . 42.2 t80 -61.22 -43.77 98.35 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.414 179.388 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -59.03 -42.32 89.91 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.321 179.617 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.586 ' HB2' HG23 ' A' ' 69' ' ' VAL . 90.6 mt-10 -69.07 -41.15 77.93 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 119.443 -0.903 . . . . 0.0 110.653 171.643 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.478 ' OH ' HD21 ' B' ' 4' ' ' LEU . 47.1 t80 -60.41 -48.49 81.54 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.52 -176.61 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.863 HG21 ' CB ' ' B' ' 79' ' ' ALA . 16.9 m -63.39 -43.99 98.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 C-N-CA 120.453 -0.499 . . . . 0.0 112.139 -179.188 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 14.6 p -65.89 -37.5 80.01 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 C-N-CA 120.172 -0.611 . . . . 0.0 110.41 178.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.617 HD22 ' HG ' ' A' ' 61' ' ' LEU . 47.5 tp -60.29 -48.81 80.15 Favored 'General case' 0 CA--C 1.505 -0.763 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.583 179.02 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.67 HG23 ' SD ' ' B' ' 8' ' ' MET . 29.9 m -69.54 -40.57 79.79 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.962 0 C-N-CA 119.944 -0.702 . . . . 0.0 110.78 176.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.704 ' CB ' HG21 ' B' ' 75' ' ' VAL . . . -63.34 -42.46 98.93 Favored 'General case' 0 CA--C 1.507 -0.676 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.949 179.209 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.05 -48.57 79.72 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.493 0.663 . . . . 0.0 109.313 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.508 HD13 HD11 ' A' ' 37' ' ' LEU . 92.3 mt -63.58 -43.61 96.48 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-N 115.014 -0.994 . . . . 0.0 109.557 177.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.61 HG23 ' CZ ' ' A' ' 44' ' ' PHE . 22.3 m -64.19 -49.11 73.32 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 112.886 0.699 . . . . 0.0 112.886 178.652 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 12.8 p -61.57 -42.43 94.02 Favored 'Isoleucine or valine' 0 C--O 1.24 0.583 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.742 -174.548 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -54.79 -52.03 63.9 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.333 178.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.733 ' CE ' ' HB1' ' A' ' 47' ' ' ALA . 15.3 tpt -68.91 -42.39 76.91 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.605 177.687 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.637 ' OD1' HG21 ' B' ' 12' ' ' ILE . 0.6 OUTLIER -61.71 -32.36 72.57 Favored 'General case' 0 CA--C 1.507 -0.687 0 C-N-CA 119.815 -0.754 . . . . 0.0 111.68 -174.247 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -56.02 -40.62 73.69 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 175.188 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.45 ' HB3' ' O ' ' A' ' 85' ' ' MET . 92.2 t80 -60.0 -45.61 92.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.061 172.591 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 18.7 m-30 -59.22 -43.66 92.31 Favored 'General case' 0 CA--C 1.513 -0.449 0 C-N-CA 120.791 -0.363 . . . . 0.0 110.354 178.529 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.681 ' HZ2' HG23 ' B' ' 12' ' ' ILE . 9.1 m0 -67.56 -42.44 82.63 Favored 'General case' 0 C--N 1.317 -0.825 0 C-N-CA 120.121 -0.632 . . . . 0.0 109.669 -179.402 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 84.7 mt-10 -71.99 -45.37 61.21 Favored 'General case' 0 C--N 1.318 -0.804 0 C-N-CA 120.261 -0.575 . . . . 0.0 111.283 178.49 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -89.92 99.27 12.31 Favored 'General case' 0 CA--C 1.503 -0.843 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 176.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.204 -1.31 0 CA-C-O 117.677 -1.154 . . . . 0.0 109.216 -177.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . 0.409 ' H1 ' ' H ' ' A' ' 43' ' ' GLY . . . . . . . . 0 CA--C 1.521 0.453 0 N-CA-C 111.31 -0.716 . . . . 0.0 111.31 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . 0.422 ' C ' ' N ' ' B' ' 4' ' ' LEU . 75.1 m -75.18 175.31 8.4 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -176.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.469 ' H ' ' CD ' ' B' ' 3' ' ' GLU . 1.4 mp0 -54.03 -17.73 2.91 Favored 'General case' 0 CA--C 1.516 -0.342 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 174.02 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.688 HD23 HG21 ' A' ' 14' ' ' VAL . 0.2 OUTLIER -59.05 -42.71 90.93 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 114.385 -1.279 . . . . 0.0 108.113 179.525 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -65.67 -44.39 86.4 Favored 'General case' 0 N--CA 1.442 -0.839 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.891 176.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 7.3 m -61.83 -46.0 91.36 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 121.243 0.544 . . . . 0.0 109.599 178.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.75 -45.78 91.16 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.541 176.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . 0.67 ' SD ' HG23 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -62.2 -43.24 99.28 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 177.812 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.446 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 5.5 mm-40 -61.01 -38.95 87.88 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.782 177.036 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.41 HG21 ' HB3' ' A' ' 3' ' ' GLU . 9.8 m -59.66 -44.47 93.55 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 178.629 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.735 HD11 ' SD ' ' A' ' 8' ' ' MET . 0.3 OUTLIER -61.92 -41.45 97.94 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 173.758 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.681 HG23 ' HZ2' ' A' ' 90' ' ' TRP . 18.5 mm -62.47 -43.67 98.54 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.432 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.156 179.587 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 40.0 m-80 -58.62 -44.12 89.88 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.534 -173.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.673 HG21 HD22 ' A' ' 4' ' ' LEU . 94.7 t -64.05 -47.94 88.09 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 C-N-CA 120.054 -0.659 . . . . 0.0 110.324 176.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -59.92 -47.91 83.84 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 177.344 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -61.04 -46.41 90.8 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.962 -178.579 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.98 -48.3 78.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.944 0.402 . . . . 0.0 110.341 178.381 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.423 ' HB3' ' CD1' ' B' ' 28' ' ' LEU . 75.0 m-70 -71.73 -29.3 64.38 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.203 -0.453 . . . . 0.0 112.052 179.497 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.452 ' HA ' ' O ' ' B' ' 27' ' ' LYS . 52.1 m -52.8 -46.22 67.57 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 -174.08 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.08 -16.28 59.62 Favored Glycine 0 CA--C 1.526 0.761 0 C-N-CA 121.007 -0.616 . . . . 0.0 112.095 -177.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -64.11 -40.04 95.36 Favored 'General case' 0 C--O 1.242 0.706 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 -172.477 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.487 ' HG3' ' H ' ' B' ' 23' ' ' GLY . 0.0 OUTLIER -85.63 -69.79 0.64 Allowed 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 113.928 1.085 . . . . 0.0 113.928 -171.682 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . 0.487 ' H ' ' HG3' ' B' ' 22' ' ' GLU . . . -169.35 -52.65 0.03 OUTLIER Glycine 0 CA--C 1.526 0.731 0 N-CA-C 112.09 -0.404 . . . . 0.0 112.09 -177.513 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.402 ' HB3' ' HB2' ' B' ' 27' ' ' LYS . 9.0 t70 -71.8 145.82 48.44 Favored 'General case' 0 CA--C 1.506 -0.728 0 O-C-N 122.387 -0.478 . . . . 0.0 109.956 179.18 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.641 ' NZ ' ' OH ' ' B' ' 26' ' ' TYR . 14.8 mtmm -61.83 -40.71 96.25 Favored 'General case' 0 CA--C 1.489 -1.401 0 C-N-CA 119.587 -0.845 . . . . 0.0 108.88 179.057 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.641 ' OH ' ' NZ ' ' B' ' 25' ' ' LYS . 0.0 OUTLIER -125.22 90.32 3.21 Favored 'General case' 0 N--CA 1.429 -1.494 0 C-N-CA 119.111 -1.035 . . . . 0.0 110.769 179.283 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.497 ' HG2' ' O ' ' B' ' 26' ' ' TYR . 5.5 mmtp -165.55 159.06 16.3 Favored 'General case' 0 CA--C 1.491 -1.29 0 CA-C-N 114.274 -1.33 . . . . 0.0 108.685 168.658 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.571 HD21 HD23 ' B' ' 36' ' ' LEU . 40.9 tp -124.56 128.07 48.37 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 107.574 -1.269 . . . . 0.0 107.574 169.668 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.434 ' HA ' ' O ' ' B' ' 67' ' ' GLY . 0.3 OUTLIER -85.14 159.08 20.22 Favored 'General case' 0 C--N 1.31 -1.121 0 C-N-CA 119.859 -0.736 . . . . 0.0 109.761 -179.734 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.648 ' HG3' ' CA ' ' B' ' 65' ' ' GLY . 31.5 mmtm -74.39 -8.87 57.73 Favored 'General case' 0 CA--C 1.508 -0.672 0 C-N-CA 119.02 -1.072 . . . . 0.0 111.061 -177.643 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 3.4 ptpt -69.05 -47.02 66.41 Favored 'General case' 0 N--CA 1.442 -0.862 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 175.026 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.492 ' O ' ' HB3' ' B' ' 36' ' ' LEU . 69.5 mm-40 -71.33 -37.49 71.72 Favored 'General case' 0 N--CA 1.439 -1.004 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.495 172.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.894 HD11 ' CD2' ' B' ' 77' ' ' LEU . 3.1 tm? -58.27 -47.5 83.4 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.987 -172.633 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -64.39 -43.22 95.13 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 118.882 -1.127 . . . . 0.0 110.699 177.391 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.41 ' O ' ' HG2' ' B' ' 38' ' ' GLN . 61.1 mm-40 -61.36 -48.63 80.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.409 0.624 . . . . 0.0 109.674 178.161 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.842 HD21 ' CE1' ' B' ' 74' ' ' TYR . 1.7 tp -62.9 -52.39 63.25 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-N 115.307 -0.86 . . . . 0.0 112.042 177.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.572 HD23 HG12 ' B' ' 78' ' ' VAL . 2.6 tm? -63.33 -45.01 93.27 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.375 -175.521 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.41 ' HG2' ' O ' ' B' ' 35' ' ' GLU . 12.3 pt20 -65.88 -38.01 87.66 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.169 0.509 . . . . 0.0 110.319 178.261 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.409 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 52.2 m -73.11 -61.0 1.97 Allowed 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.311 -0.859 . . . . 0.0 112.364 -175.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.899 ' CB ' HD23 ' A' ' 4' ' ' LEU . 80.3 mm-40 -69.97 -42.11 73.56 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.176 0.436 . . . . 0.0 112.176 -172.655 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.471 ' HB2' HD22 ' B' ' 37' ' ' LEU . 4.1 mp -99.24 32.88 2.58 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.312 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.61 -35.0 67.77 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.589 -178.628 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -64.13 -50.36 60.84 Favored Glycine 0 N--CA 1.446 -0.652 0 N-CA-C 110.408 -1.077 . . . . 0.0 110.408 176.569 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.657 ' CZ ' HG23 ' B' ' 82' ' ' THR . 46.1 m-85 -62.65 -45.69 91.66 Favored 'General case' 0 CA--C 1.503 -0.837 0 CA-C-O 121.181 0.515 . . . . 0.0 109.762 177.429 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.475 ' O ' HD12 ' B' ' 45' ' ' LEU . 3.1 tp -60.5 -48.85 79.95 Favored 'General case' 0 N--CA 1.436 -1.171 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.947 -179.49 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -65.86 -40.68 91.92 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 112.481 0.548 . . . . 0.0 112.481 176.001 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . 0.612 ' CB ' ' SD ' ' B' ' 85' ' ' MET . . . -59.42 -37.09 77.17 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.829 -0.623 . . . . 0.0 112.61 -171.568 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.482 HE22 ' CG2' ' B' ' 54' ' ' VAL . 0.9 OUTLIER -123.48 37.17 4.47 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 -174.817 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.543 ' HA ' HG11 ' B' ' 54' ' ' VAL . 7.0 mtmp? -62.24 -39.15 91.87 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 107.798 -1.186 . . . . 0.0 107.798 173.651 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -64.38 -23.39 67.27 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 113.919 -1.491 . . . . 0.0 111.151 179.552 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . 0.506 ' C ' ' H ' ' B' ' 53' ' ' ALA . 40.8 t -71.92 -18.4 19.58 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 CA-C-O 120.664 0.269 . . . . 0.0 110.279 -179.689 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 16.1 t70 66.22 -38.34 0.29 Allowed 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.667 -178.378 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.506 ' H ' ' C ' ' B' ' 51' ' ' VAL . . . -53.54 -26.18 20.06 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.551 -179.318 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.543 HG11 ' HA ' ' B' ' 49' ' ' LYS . 7.6 p -58.23 -43.74 86.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 177.37 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.496 ' OD1' ' NZ ' ' B' ' 59' ' ' LYS . 9.7 t70 -59.7 -45.17 92.95 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.081 174.108 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . 0.595 ' N ' ' CD ' ' B' ' 56' ' ' LYS . 6.2 mptt -63.56 -42.77 98.34 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.958 -179.651 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.527 HG12 ' CD1' ' B' ' 77' ' ' LEU . 91.7 t -62.06 -45.5 98.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 176.552 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . 0.531 ' SD ' HD12 ' B' ' 37' ' ' LEU . 14.7 mmm -61.05 -41.46 96.64 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 175.671 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . 0.496 ' NZ ' ' OD1' ' B' ' 55' ' ' ASP . 0.0 OUTLIER -62.88 -43.18 99.49 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 114.561 -1.2 . . . . 0.0 110.525 -179.665 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -60.34 -41.15 93.0 Favored 'General case' 0 C--N 1.31 -1.128 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 -178.109 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.735 ' HG ' HD13 ' B' ' 77' ' ' LEU . 1.2 mm? -62.78 -34.7 77.8 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.353 176.479 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.42 ' HB2' ' O ' ' B' ' 59' ' ' LYS . 39.3 m-20 -60.97 -34.57 74.97 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.506 178.405 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -57.16 -42.2 80.6 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 -179.412 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . 0.468 ' O ' ' NZ ' ' B' ' 30' ' ' LYS . 42.7 t30 -104.82 20.92 17.87 Favored 'General case' 0 C--N 1.309 -1.193 0 N-CA-C 107.906 -1.146 . . . . 0.0 107.906 175.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.648 ' CA ' ' HG3' ' B' ' 30' ' ' LYS . . . -113.64 30.94 6.89 Favored Glycine 0 N--CA 1.437 -1.241 0 CA-C-N 115.004 -0.998 . . . . 0.0 111.586 -169.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -63.46 -34.38 77.64 Favored 'General case' 0 C--N 1.314 -0.963 0 C-N-CA 119.969 -0.692 . . . . 0.0 109.367 176.459 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.545 ' O ' ' N ' ' B' ' 30' ' ' LYS . . . -159.27 -58.67 0.01 OUTLIER Glycine 0 C--O 1.223 -0.574 0 C-N-CA 120.226 -0.987 . . . . 0.0 113.425 -178.601 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.566 ' O ' ' NZ ' ' B' ' 30' ' ' LYS . 46.5 mt-10 -95.95 153.78 17.58 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 -171.422 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.521 HG11 ' HB2' ' B' ' 33' ' ' LEU . 2.4 p -144.4 134.16 19.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 168.518 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -98.34 179.85 4.59 Favored 'General case' 0 C--N 1.32 -0.717 0 C-N-CA 120.399 -0.52 . . . . 0.0 110.014 -179.36 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.62 ' O ' HG13 ' B' ' 75' ' ' VAL . 53.0 t80 -61.85 -44.6 96.49 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.327 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.5 ' O ' HG22 ' B' ' 75' ' ' VAL . 48.4 mt-30 -60.16 -46.16 90.63 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.06 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.567 ' O ' HG12 ' B' ' 76' ' ' VAL . 42.0 tt0 -66.85 -40.18 87.84 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-O 121.669 0.747 . . . . 0.0 109.952 175.105 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . 0.845 ' OH ' HD21 ' A' ' 4' ' ' LEU . 36.6 t80 -60.08 -47.8 84.35 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.524 179.309 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.704 HG21 ' CB ' ' A' ' 79' ' ' ALA . 14.0 m -63.39 -42.32 95.9 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 C-N-CA 119.852 -0.739 . . . . 0.0 111.514 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.567 HG12 ' O ' ' B' ' 73' ' ' GLU . 2.4 p -63.44 -40.89 90.72 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.506 0 C-N-CA 120.353 -0.539 . . . . 0.0 110.818 -178.058 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.894 ' CD2' HD11 ' B' ' 33' ' ' LEU . 44.9 tp -61.06 -50.32 73.79 Favored 'General case' 0 CA--C 1.511 -0.523 0 C-N-CA 120.806 -0.358 . . . . 0.0 111.286 178.81 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.572 HG12 HD23 ' B' ' 37' ' ' LEU . 18.4 m -66.68 -42.14 89.16 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.072 0 C-N-CA 119.899 -0.721 . . . . 0.0 110.14 178.361 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.863 ' CB ' HG21 ' A' ' 75' ' ' VAL . . . -63.04 -42.45 99.75 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.249 178.516 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . 0.441 ' O ' HG12 ' B' ' 83' ' ' VAL . . . -56.35 -49.12 75.3 Favored 'General case' 0 CA--C 1.513 -0.46 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 -179.424 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.456 HD12 HD21 ' B' ' 37' ' ' LEU . 94.4 mt -63.7 -41.75 98.08 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.796 175.332 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.657 HG23 ' CZ ' ' B' ' 44' ' ' PHE . 21.0 m -61.5 -50.11 74.04 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.077 -178.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.441 HG12 ' O ' ' B' ' 80' ' ' ALA . 13.4 p -61.13 -43.75 96.93 Favored 'Isoleucine or valine' 0 C--O 1.237 0.43 0 C-N-CA 120.824 -0.351 . . . . 0.0 111.081 -177.167 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -58.74 -52.8 64.14 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 120.261 -0.576 . . . . 0.0 110.759 179.661 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 85' ' ' MET . . . . . 0.612 ' SD ' ' CB ' ' B' ' 47' ' ' ALA . 33.2 ttp -69.41 -40.19 77.47 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 120.207 -0.597 . . . . 0.0 109.808 178.22 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.846 ' ND2' HG21 ' A' ' 12' ' ' ILE . 20.6 t-20 -60.33 -39.18 86.16 Favored 'General case' 0 CA--C 1.506 -0.729 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.354 -175.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -44.99 -28.74 0.72 Allowed 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.797 -178.325 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -65.09 -37.92 89.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.651 176.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . 0.495 ' N ' ' O ' ' B' ' 86' ' ' ASN . 16.0 m-85 -55.76 -29.17 59.16 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-O 120.91 0.386 . . . . 0.0 111.095 -179.346 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . 0.608 ' CH2' ' HA ' ' A' ' 16' ' ' HIS . 23.7 m95 -71.98 -64.85 0.85 Allowed 'General case' 0 C--N 1.312 -1.032 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -66.01 -38.36 88.26 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 114.538 -1.21 . . . . 0.0 111.684 -178.343 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 64.2 t-20 -80.2 100.23 8.2 Favored 'General case' 0 CA--C 1.506 -0.746 0 N-CA-C 107.286 -1.376 . . . . 0.0 107.286 174.025 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 2.8 m . . . . . 0 C--O 1.202 -1.408 0 CA-C-N 115.171 -0.922 . . . . 0.0 110.696 -170.513 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.503 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.435 ' C ' ' N ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -75.82 -173.57 2.3 Favored 'General case' 0 C--O 1.242 0.691 0 CA-C-O 121.071 0.462 . . . . 0.0 111.061 -178.752 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.44 ' H ' ' CD ' ' A' ' 3' ' ' GLU . 1.9 mp0 -51.66 -19.01 1.36 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.012 -0.994 . . . . 0.0 108.555 173.753 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.554 HD23 HG21 ' B' ' 14' ' ' VAL . 0.1 OUTLIER -58.19 -49.41 77.14 Favored 'General case' 0 N--CA 1.442 -0.857 0 CA-C-N 114.959 -1.018 . . . . 0.0 109.289 -175.889 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -67.03 -44.48 80.14 Favored 'General case' 0 N--CA 1.44 -0.948 0 C-N-CA 120.334 -0.546 . . . . 0.0 110.228 -179.532 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.1 m -61.39 -44.88 96.39 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.167 -0.469 . . . . 0.0 109.949 177.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.91 -47.41 77.5 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 178.08 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.637 ' SD ' HD11 ' B' ' 11' ' ' LEU . 92.2 mmm -65.32 -41.32 94.12 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.279 -0.568 . . . . 0.0 110.365 178.231 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -64.34 -37.95 89.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.03 0.443 . . . . 0.0 109.979 177.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 17.0 m -58.1 -44.34 87.6 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 177.305 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.666 HD11 ' SD ' ' B' ' 8' ' ' MET . 81.9 mt -63.02 -40.67 98.45 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.19 174.29 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.535 HD13 ' CD1' ' A' ' 71' ' ' PHE . 21.7 mm -61.78 -43.88 97.94 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.646 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 178.124 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -59.68 -45.76 91.1 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.722 -176.167 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.874 HG21 HD11 ' B' ' 4' ' ' LEU . 82.9 t -65.09 -46.55 90.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.005 0.431 . . . . 0.0 110.186 176.358 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.4 ' CE2' ' HB2' ' A' ' 28' ' ' LEU . 61.7 t80 -59.13 -49.51 77.6 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.667 0.746 . . . . 0.0 109.331 177.467 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.461 ' N ' ' O ' ' A' ' 12' ' ' ILE . 2.2 t60 -66.13 -41.99 89.72 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 114.678 -1.146 . . . . 0.0 111.318 -177.756 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.405 ' O ' ' HD3' ' A' ' 21' ' ' LYS . . . -55.84 -45.96 78.26 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 179.648 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.458 ' O ' ' HB2' ' A' ' 21' ' ' LYS . 72.6 m-70 -69.33 -32.92 72.34 Favored 'General case' 0 CA--C 1.513 -0.453 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.297 177.514 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.466 ' HB3' ' O ' ' A' ' 25' ' ' LYS . 23.2 m -51.38 -37.61 49.04 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 174.575 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.39 -34.23 88.77 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.072 -0.811 . . . . 0.0 111.072 176.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.458 ' HB2' ' O ' ' A' ' 18' ' ' HIS . 1.4 mptp? -61.04 -68.19 0.33 Allowed 'General case' 0 C--O 1.233 0.212 0 CA-C-O 120.772 0.32 . . . . 0.0 110.797 -178.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.49 -46.73 88.78 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.276 -177.364 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 101.69 9.01 44.55 Favored Glycine 0 CA--C 1.533 1.175 0 N-CA-C 115.442 0.937 . . . . 0.0 115.442 169.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -59.13 -51.43 70.03 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-N 119.242 1.521 . . . . 0.0 109.4 177.695 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.514 ' HE2' ' CZ ' ' A' ' 26' ' ' TYR . 20.5 ptmt 160.21 -141.91 0.0 OUTLIER 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 104.431 -2.433 . . . . 0.0 104.431 -178.619 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.514 ' CZ ' ' HE2' ' A' ' 25' ' ' LYS . 18.2 p90 -76.45 92.54 3.41 Favored 'General case' 0 N--CA 1.442 -0.845 0 C-N-CA 117.416 -1.714 . . . . 0.0 109.472 170.633 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.422 ' HA ' ' HD2' ' A' ' 27' ' ' LYS . 3.1 mmmm -156.14 166.62 32.92 Favored 'General case' 0 CA--C 1.495 -1.166 0 N-CA-C 107.544 -1.28 . . . . 0.0 107.544 175.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.426 ' HB3' ' O ' ' A' ' 69' ' ' VAL . 43.7 tp -125.99 125.99 43.59 Favored 'General case' 0 N--CA 1.429 -1.492 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 170.415 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.8 p -90.12 157.61 17.68 Favored 'General case' 0 C--N 1.3 -1.562 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 177.039 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.572 ' HG3' ' HA2' ' A' ' 65' ' ' GLY . 2.0 mmmm -68.6 -6.27 24.73 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 119.225 -0.99 . . . . 0.0 109.159 177.246 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -63.86 -44.26 93.66 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 114.585 -1.188 . . . . 0.0 108.364 177.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -99.49 -25.18 14.53 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 113.839 -1.528 . . . . 0.0 111.076 -173.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.701 HD11 ' CD2' ' A' ' 77' ' ' LEU . 2.9 tm? -60.67 -43.53 97.56 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.045 -175.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.424 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 72.9 mmtt -62.27 -43.88 97.81 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.347 -0.541 . . . . 0.0 109.892 176.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -60.87 -60.23 4.12 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.242 -0.435 . . . . 0.0 112.006 -179.619 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.1 pp -66.51 -40.34 89.14 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 119.692 -0.803 . . . . 0.0 111.816 -175.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.665 HD21 HD22 ' A' ' 41' ' ' LEU . 3.0 tm? -61.77 -46.99 87.2 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.257 -0.577 . . . . 0.0 110.378 -177.246 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.507 ' HB2' HD22 ' A' ' 45' ' ' LEU . 17.2 pt20 -67.72 -41.47 83.44 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 119.646 -0.822 . . . . 0.0 110.371 175.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 96.1 m -63.99 -52.84 57.72 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.757 -178.212 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.641 ' HB3' HD12 ' B' ' 4' ' ' LEU . 69.0 mm-40 -76.22 -41.01 50.68 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.036 -0.529 . . . . 0.0 112.323 -171.064 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.665 HD22 HD21 ' A' ' 37' ' ' LEU . 10.4 mp -94.14 45.3 1.13 Allowed 'General case' 0 C--O 1.242 0.681 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.745 -177.201 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.522 ' HB2' ' H1 ' ' B' ' 1' ' ' GLY . 0.7 OUTLIER -56.24 -37.33 69.6 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.152 -173.832 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.41 -47.33 63.72 Favored Glycine 0 C--O 1.242 0.614 0 N-CA-C 111.65 -0.58 . . . . 0.0 111.65 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.471 ' CD1' ' SD ' ' A' ' 85' ' ' MET . 80.3 m-85 -68.02 -39.15 83.2 Favored 'General case' 0 CA--C 1.501 -0.918 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 177.789 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.507 HD22 ' HB2' ' A' ' 38' ' ' GLN . 50.2 tp -60.64 -44.6 96.19 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.393 176.366 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.405 ' HA ' ' HZ2' ' A' ' 49' ' ' LYS . 25.9 t70 -59.92 -47.94 83.71 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.511 177.677 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.587 ' HB3' ' SD ' ' A' ' 85' ' ' MET . . . -70.48 -38.57 74.39 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.711 179.342 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.487 HE22 HG11 ' A' ' 51' ' ' VAL . 81.3 mm-40 -76.03 10.09 2.1 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 -174.095 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.405 ' HZ2' ' HA ' ' A' ' 46' ' ' ASP . 41.2 mttp -64.01 -42.41 97.15 Favored 'General case' 0 C--N 1.313 -1.02 0 N-CA-C 112.508 0.558 . . . . 0.0 112.508 177.177 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -117.73 37.61 3.88 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 -177.104 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.642 ' O ' HG12 ' A' ' 54' ' ' VAL . 74.5 t -115.73 136.07 53.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 -179.161 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.409 ' O ' ' HG2' ' A' ' 56' ' ' LYS . 36.1 t70 -62.19 -37.97 87.33 Favored 'General case' 0 C--O 1.246 0.896 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.426 -175.705 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.424 ' H ' HG12 ' A' ' 51' ' ' VAL . . . -58.45 -41.11 84.4 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.502 -0.772 . . . . 0.0 112.462 -172.753 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.642 HG12 ' O ' ' A' ' 51' ' ' VAL . 13.0 p -54.93 -42.86 65.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 C-N-CA 120.189 -0.604 . . . . 0.0 110.561 -175.017 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.445 ' HB3' ' HZ2' ' A' ' 56' ' ' LYS . 15.4 t70 -58.55 -49.47 77.32 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.954 0.407 . . . . 0.0 110.928 177.508 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.445 ' HZ2' ' HB3' ' A' ' 55' ' ' ASP . 34.5 mmtm -66.36 -43.77 85.07 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.367 -177.666 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.645 HG12 HD12 ' A' ' 77' ' ' LEU . 95.6 t -66.1 -44.56 91.79 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 115.458 -0.792 . . . . 0.0 108.978 178.316 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.403 ' CB ' ' O ' ' A' ' 54' ' ' VAL . 53.3 ttp -60.89 -39.12 88.07 Favored 'General case' 0 N--CA 1.431 -1.397 0 CA-C-N 114.61 -1.177 . . . . 0.0 109.615 175.345 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.518 ' O ' ' HG2' ' A' ' 63' ' ' GLU . 0.1 OUTLIER -59.73 -45.15 93.07 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 179.455 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 -61.5 -43.81 98.2 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 123.475 0.484 . . . . 0.0 110.453 -178.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.725 ' HG ' HD13 ' A' ' 77' ' ' LEU . 1.3 mm? -62.39 -40.11 95.43 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 175.025 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.479 ' OD2' ' NZ ' ' A' ' 59' ' ' LYS . 11.5 t70 -61.99 -39.92 93.87 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.468 177.186 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.518 ' HG2' ' O ' ' A' ' 59' ' ' LYS . 73.0 mm-40 -56.16 -40.26 73.61 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 179.231 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -90.92 19.45 5.59 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 114.723 -1.126 . . . . 0.0 110.792 176.54 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.572 ' HA2' ' HG3' ' A' ' 30' ' ' LYS . . . -78.97 -6.09 88.82 Favored Glycine 0 C--O 1.237 0.295 0 N-CA-C 108.548 -1.821 . . . . 0.0 108.548 174.216 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -61.76 -37.7 85.25 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-N 114.704 -0.748 . . . . 0.0 109.048 177.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -133.18 -137.71 3.93 Favored Glycine 0 C--O 1.241 0.535 0 N-CA-C 110.559 -1.016 . . . . 0.0 110.559 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -89.78 171.77 9.39 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 -177.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.484 HG23 ' CG ' ' A' ' 73' ' ' GLU . 0.9 OUTLIER -117.81 126.23 74.67 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 172.44 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.57 -178.08 4.78 Favored 'General case' 0 C--N 1.318 -0.795 0 C-N-CA 120.324 -0.55 . . . . 0.0 110.52 -176.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.535 ' CD1' HD13 ' A' ' 12' ' ' ILE . 44.9 t80 -61.38 -44.76 96.61 Favored 'General case' 0 C--N 1.305 -1.361 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.091 -179.639 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -60.43 -45.09 94.88 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.851 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.49 ' O ' HG12 ' A' ' 76' ' ' VAL . 61.8 tt0 -65.83 -41.76 91.39 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.476 174.764 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 23.2 t80 -61.43 -48.22 82.17 Favored 'General case' 0 C--O 1.237 0.418 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 178.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.838 HG21 ' CB ' ' B' ' 79' ' ' ALA . 33.4 m -64.38 -39.84 86.96 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 C-N-CA 119.662 -0.815 . . . . 0.0 112.162 -177.494 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.49 HG12 ' O ' ' A' ' 73' ' ' GLU . 14.4 p -64.38 -35.36 74.01 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.84 0 C-N-CA 119.889 -0.725 . . . . 0.0 110.128 -179.436 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.725 HD13 ' HG ' ' A' ' 61' ' ' LEU . 53.3 tp -60.96 -49.75 76.18 Favored 'General case' 0 CA--C 1.515 -0.398 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.367 178.754 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.502 HG12 HD23 ' A' ' 37' ' ' LEU . 14.2 m -70.46 -43.67 77.83 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.668 0 C-N-CA 120.147 -0.621 . . . . 0.0 110.821 177.802 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.886 ' CB ' HG21 ' B' ' 75' ' ' VAL . . . -64.27 -41.96 96.67 Favored 'General case' 0 CA--C 1.511 -0.549 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.565 -179.163 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.89 -48.13 80.77 Favored 'General case' 0 CA--C 1.508 -0.658 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 179.566 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.444 HD22 ' HG3' ' A' ' 48' ' ' GLN . 97.0 mt -62.48 -41.7 98.97 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.371 175.102 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.439 ' HA ' ' CE1' ' A' ' 44' ' ' PHE . 20.6 m -61.3 -52.29 65.34 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.967 179.409 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.652 HG11 ' HG3' ' B' ' 72' ' ' GLN . 12.8 p -64.33 -37.84 81.0 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.468 0 C-N-CA 119.566 -0.853 . . . . 0.0 110.412 178.607 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -56.18 -57.94 10.05 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.156 177.579 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.587 ' SD ' ' HB3' ' A' ' 47' ' ' ALA . 80.1 mtp -66.9 -42.94 84.61 Favored 'General case' 0 CA--C 1.515 -0.374 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 176.51 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.472 ' O ' ' N ' ' A' ' 89' ' ' PHE . 7.3 m120 -62.09 -37.12 83.86 Favored 'General case' 0 CA--C 1.501 -0.931 0 C-N-CA 120.744 -0.382 . . . . 0.0 111.061 -176.784 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.408 ' HB2' ' O ' ' A' ' 83' ' ' VAL . 3.5 t30 -49.24 -37.11 22.16 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 120.9 0.381 . . . . 0.0 110.044 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -61.96 -33.42 74.27 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.313 176.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.48 ' N ' ' HD1' ' A' ' 89' ' ' PHE . 2.1 m-30 -59.64 -43.62 93.79 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 -176.519 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.594 ' CE3' ' CE1' ' B' ' 16' ' ' HIS . 5.5 m95 -64.56 -47.14 79.85 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 178.014 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -69.8 -46.87 64.78 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 114.907 -1.042 . . . . 0.0 111.112 -175.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -87.57 99.84 12.34 Favored 'General case' 0 CA--C 1.497 -1.073 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 175.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 C--O 1.205 -1.269 0 CA-C-O 118.089 -0.958 . . . . 0.0 109.965 -174.727 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . 0.522 ' H1 ' ' HB2' ' A' ' 42' ' ' SER . . . . . . . . 0 C--O 1.237 0.314 0 N-CA-C 110.571 -1.012 . . . . 0.0 110.571 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 9.4 m -77.38 173.48 11.89 Favored 'General case' 0 C--O 1.244 0.807 0 CA-C-O 121.207 0.527 . . . . 0.0 111.679 -178.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.623 ' H ' ' CD ' ' B' ' 3' ' ' GLU . 1.9 mp0 -53.65 -17.5 2.25 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.905 178.429 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.874 HD11 HG21 ' A' ' 14' ' ' VAL . 44.9 mt -60.16 -40.93 91.63 Favored 'General case' 0 CA--C 1.504 -0.823 0 N-CA-C 108.976 -0.749 . . . . 0.0 108.976 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -60.02 -42.54 94.55 Favored 'General case' 0 N--CA 1.442 -0.851 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 177.206 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 8.5 m -63.39 -45.12 92.54 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.743 174.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.05 -45.97 82.8 Favored 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 177.129 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . 0.666 ' SD ' HD11 ' A' ' 11' ' ' LEU . 92.0 mmm -64.25 -41.98 96.71 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.803 177.487 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.544 ' O ' ' N ' ' B' ' 13' ' ' ASN . 71.4 mt-10 -63.34 -38.61 91.81 Favored 'General case' 0 C--O 1.222 -0.391 0 C-N-CA 120.073 -0.651 . . . . 0.0 109.267 175.668 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 15.6 m -58.47 -43.72 89.04 Favored 'General case' 0 C--N 1.314 -0.941 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 177.237 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.637 HD11 ' SD ' ' A' ' 8' ' ' MET . 96.4 mt -62.88 -41.48 99.42 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 174.796 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.517 HD13 ' CD1' ' B' ' 71' ' ' PHE . 21.5 mm -62.79 -42.73 97.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 177.119 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . 0.544 ' N ' ' O ' ' B' ' 9' ' ' GLU . 96.6 m-20 -58.52 -45.75 88.18 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 -174.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.554 HG21 HD23 ' A' ' 4' ' ' LEU . 85.8 t -64.45 -46.5 92.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 175.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.533 ' CE2' ' HB2' ' B' ' 28' ' ' LEU . 52.2 t80 -58.31 -46.46 86.11 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.316 -0.856 . . . . 0.0 109.823 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.594 ' CE1' ' CE3' ' A' ' 90' ' ' TRP . 1.3 t-80 -55.93 -43.87 77.82 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.559 -178.556 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.76 -49.86 76.07 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.151 -178.111 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.695 ' CD2' HD22 ' B' ' 36' ' ' LEU . 96.7 m-70 -67.5 -39.84 85.19 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.098 -0.501 . . . . 0.0 112.318 -176.553 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 67.3 m -57.43 -42.86 83.21 Favored 'General case' 0 C--O 1.233 0.204 0 C-N-CA 120.094 -0.642 . . . . 0.0 109.634 177.318 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.33 -42.25 99.73 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 110.406 -1.078 . . . . 0.0 110.406 177.362 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 12.3 mmtp -65.78 -46.06 80.16 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 122.62 -0.341 . . . . 0.0 111.445 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.531 ' CD ' ' H ' ' B' ' 29' ' ' SER . 99.5 mt-10 -69.08 -39.68 78.89 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.429 178.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 118.76 -24.46 8.42 Favored Glycine 0 CA--C 1.523 0.572 0 C-N-CA 121.087 -0.578 . . . . 0.0 113.633 172.376 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -62.8 145.58 54.61 Favored 'General case' 0 CA--C 1.504 -0.815 0 CA-C-N 118.166 0.983 . . . . 0.0 110.079 179.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.463 ' O ' ' CE3' ' A' ' 90' ' ' TRP . 0.0 OUTLIER -53.4 -49.35 67.45 Favored 'General case' 0 N--CA 1.448 -0.57 0 O-C-N 123.297 0.373 . . . . 0.0 110.395 -178.614 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.4 ' CE1' ' HB2' ' B' ' 25' ' ' LYS . 0.1 OUTLIER -153.92 94.28 1.74 Allowed 'General case' 0 C--O 1.241 0.655 0 CA-C-O 121.22 0.533 . . . . 0.0 110.82 171.577 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 5.8 mmtm -158.96 164.03 35.96 Favored 'General case' 0 C--N 1.308 -1.21 0 CA-C-N 114.232 -1.349 . . . . 0.0 108.192 172.528 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.533 ' HB2' ' CE2' ' B' ' 15' ' ' PHE . 47.2 tp -124.51 134.84 52.89 Favored 'General case' 0 C--N 1.298 -1.633 0 N-CA-C 107.747 -1.205 . . . . 0.0 107.747 170.307 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.531 ' H ' ' CD ' ' B' ' 22' ' ' GLU . 2.0 m -106.1 160.27 15.44 Favored 'General case' 0 C--N 1.305 -1.351 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 -177.263 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.557 ' NZ ' ' O ' ' B' ' 64' ' ' ASN . 3.0 mmmm -68.34 -6.83 26.41 Favored 'General case' 0 C--N 1.319 -0.728 0 C-N-CA 119.993 -0.683 . . . . 0.0 112.253 -173.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.445 ' HD2' ' HG2' ' B' ' 22' ' ' GLU . 0.8 OUTLIER -71.89 -56.86 4.94 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.106 -0.637 . . . . 0.0 110.576 176.848 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.534 ' O ' ' HB3' ' B' ' 36' ' ' LEU . 69.5 mm-40 -72.08 -42.24 66.42 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-O 120.905 0.384 . . . . 0.0 110.676 176.039 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.89 HD21 HD23 ' B' ' 77' ' ' LEU . 2.4 tm? -59.5 -46.76 87.89 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -171.125 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 32.8 mtmt -63.29 -43.94 96.44 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 119.063 -1.055 . . . . 0.0 109.596 -179.236 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.491 ' O ' ' HG2' ' B' ' 38' ' ' GLN . 92.2 mt-10 -73.59 -46.33 47.75 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.298 -0.864 . . . . 0.0 111.777 -178.493 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.695 HD22 ' CD2' ' B' ' 18' ' ' HIS . 0.1 OUTLIER -62.83 -42.94 99.94 Favored 'General case' 0 C--N 1.316 -0.863 0 O-C-N 122.239 -0.288 . . . . 0.0 111.761 178.895 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.742 HD23 HG12 ' B' ' 78' ' ' VAL . 2.6 tm? -60.97 -47.95 84.05 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.701 -177.33 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.491 ' HG2' ' O ' ' B' ' 35' ' ' GLU . 6.4 pt20 -64.41 -40.55 96.0 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 121.179 0.514 . . . . 0.0 109.938 176.769 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.424 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 29.5 m -63.43 -51.87 63.9 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.902 178.374 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -70.67 -40.65 72.86 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.162 0.431 . . . . 0.0 112.162 -177.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.642 HD22 HD21 ' B' ' 37' ' ' LEU . 11.0 mp -102.09 31.06 4.11 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.247 -176.54 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.405 ' O ' ' N ' ' B' ' 46' ' ' ASP . 68.0 m -53.36 -38.71 63.57 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 120.486 -0.486 . . . . 0.0 110.717 -178.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -63.36 -48.81 75.55 Favored Glycine 0 C--O 1.244 0.765 0 N-CA-C 110.518 -1.033 . . . . 0.0 110.518 176.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.562 ' CZ ' HG23 ' B' ' 82' ' ' THR . 10.8 m-85 -64.46 -44.37 91.3 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-O 121.089 0.471 . . . . 0.0 110.604 176.324 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.709 ' O ' HD12 ' B' ' 45' ' ' LEU . 1.9 tp -61.95 -45.16 94.87 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.966 177.25 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.466 ' OD1' ' NZ ' ' B' ' 49' ' ' LYS . 20.3 t70 -59.91 -44.85 94.04 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.58 -179.036 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . 0.971 ' HB3' ' SD ' ' B' ' 85' ' ' MET . . . -64.85 -24.2 67.47 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-O 121.134 0.492 . . . . 0.0 109.941 173.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.533 ' NE2' ' HB ' ' B' ' 51' ' ' VAL . 0.0 OUTLIER -95.07 10.91 33.99 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.679 -0.692 . . . . 0.0 112.783 -176.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.466 ' NZ ' ' OD1' ' B' ' 46' ' ' ASP . 56.7 mttp -58.96 -42.37 89.74 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 119.455 -0.898 . . . . 0.0 111.98 -179.196 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -116.16 35.3 4.57 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 113.183 0.808 . . . . 0.0 113.183 -174.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . 0.586 ' O ' HG12 ' B' ' 54' ' ' VAL . 2.1 t -123.82 122.03 63.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 172.689 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.543 ' OD2' ' NZ ' ' B' ' 56' ' ' LYS . 25.0 t70 -63.55 -8.94 10.93 Favored 'General case' 0 C--O 1.245 0.824 0 N-CA-C 112.742 0.645 . . . . 0.0 112.742 -174.617 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.97 -36.98 85.75 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.073 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.586 HG12 ' O ' ' B' ' 51' ' ' VAL . 11.0 p -59.14 -37.85 70.81 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.498 ' O ' ' N ' ' B' ' 59' ' ' LYS . 17.0 t70 -59.18 -41.69 89.07 Favored 'General case' 0 CA--C 1.505 -0.76 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.615 -179.1 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . 0.543 ' NZ ' ' OD2' ' B' ' 52' ' ' ASP . 23.1 mmtm -63.18 -44.43 95.44 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.354 -176.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.649 HG11 ' HG ' ' B' ' 81' ' ' LEU . 58.0 t -64.58 -44.57 96.79 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.07 0 CA-C-N 115.409 -0.814 . . . . 0.0 108.982 177.757 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 10.4 mmm -60.49 -41.96 95.32 Favored 'General case' 0 CA--C 1.506 -0.73 0 CA-C-N 115.361 -0.836 . . . . 0.0 108.811 176.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' B' ' 55' ' ' ASP . 0.0 OUTLIER -60.54 -45.19 94.76 Favored 'General case' 0 N--CA 1.437 -1.101 0 CA-C-N 114.717 -1.129 . . . . 0.0 109.634 -179.619 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -59.33 -47.14 86.53 Favored 'General case' 0 C--O 1.238 0.462 0 O-C-N 123.435 0.459 . . . . 0.0 110.377 178.204 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.778 ' HG ' HD13 ' B' ' 77' ' ' LEU . 2.4 mm? -63.62 -39.16 93.66 Favored 'General case' 0 C--N 1.318 -0.794 0 C-N-CA 120.609 -0.436 . . . . 0.0 110.263 175.131 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.443 ' OD2' ' NZ ' ' B' ' 59' ' ' LYS . 23.1 t70 -59.42 -42.64 92.31 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.933 0.397 . . . . 0.0 110.28 176.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . 0.429 ' HG3' ' O ' ' B' ' 59' ' ' LYS . 85.9 mt-10 -64.0 -37.13 86.28 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 176.162 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . 0.557 ' O ' ' NZ ' ' B' ' 30' ' ' LYS . 2.1 m-20 -82.76 36.84 0.5 Allowed 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.274 -0.876 . . . . 0.0 110.535 173.366 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.496 ' HA2' ' NZ ' ' B' ' 30' ' ' LYS . . . -102.81 17.86 51.63 Favored Glycine 0 C--N 1.32 -0.306 0 N-CA-C 109.644 -1.382 . . . . 0.0 109.644 178.136 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -59.45 -44.19 93.0 Favored 'General case' 0 CA--C 1.506 -0.735 0 CA-C-O 120.939 0.4 . . . . 0.0 110.141 -179.191 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -156.03 -88.35 0.07 OUTLIER Glycine 0 C--N 1.311 -0.826 0 N-CA-C 110.763 -0.935 . . . . 0.0 110.763 179.25 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -110.52 165.83 11.49 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.173 0.511 . . . . 0.0 112.008 -177.465 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.878 HG23 ' HB2' ' B' ' 73' ' ' GLU . 0.6 OUTLIER -121.79 125.54 73.44 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.096 0 N-CA-C 107.647 -1.242 . . . . 0.0 107.647 170.091 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.531 ' CG ' ' N ' ' B' ' 71' ' ' PHE . 0.7 OUTLIER -92.66 -179.95 5.32 Favored 'General case' 0 C--N 1.311 -1.066 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 -176.512 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.531 ' N ' ' CG ' ' B' ' 70' ' ' ASP . 56.2 t80 -57.79 -41.91 83.08 Favored 'General case' 0 C--N 1.307 -1.276 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 -178.568 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.652 ' HG3' HG11 ' A' ' 83' ' ' VAL . 44.9 mt-30 -58.2 -45.73 87.09 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.705 178.724 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.878 ' HB2' HG23 ' B' ' 69' ' ' VAL . 2.1 mp0 -67.57 -38.0 83.44 Favored 'General case' 0 C--O 1.239 0.513 0 C-N-CA 120.152 -0.619 . . . . 0.0 109.856 174.731 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . 0.456 ' OH ' HD21 ' A' ' 4' ' ' LEU . 39.6 t80 -60.94 -48.01 83.79 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.299 -179.297 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.886 HG21 ' CB ' ' A' ' 79' ' ' ALA . 26.9 m -63.93 -41.18 91.67 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 C-N-CA 119.841 -0.744 . . . . 0.0 112.067 -179.634 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.472 ' O ' ' N ' ' B' ' 80' ' ' ALA . 13.1 p -65.44 -37.93 81.24 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.452 0 C-N-CA 120.026 -0.67 . . . . 0.0 110.862 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.89 HD23 HD21 ' B' ' 33' ' ' LEU . 41.0 tp -60.67 -49.42 77.6 Favored 'General case' 0 CA--C 1.515 -0.376 0 C-N-CA 120.367 -0.533 . . . . 0.0 111.071 177.385 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.742 HG12 HD23 ' B' ' 37' ' ' LEU . 25.1 m -69.16 -43.26 81.71 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 C-N-CA 119.491 -0.884 . . . . 0.0 110.515 177.537 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.838 ' CB ' HG21 ' A' ' 75' ' ' VAL . . . -63.56 -42.21 98.37 Favored 'General case' 0 CA--C 1.51 -0.578 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.35 179.02 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . 0.472 ' N ' ' O ' ' B' ' 76' ' ' VAL . . . -61.36 -44.78 96.6 Favored 'General case' 0 N--CA 1.445 -0.716 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 -179.303 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.649 ' HG ' HG11 ' B' ' 57' ' ' VAL . 92.2 mt -63.21 -41.97 99.21 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 173.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.562 HG23 ' CZ ' ' B' ' 44' ' ' PHE . 14.7 m -61.78 -51.15 69.47 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.8 179.402 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.426 HG12 ' O ' ' B' ' 80' ' ' ALA . 0.7 OUTLIER -63.65 -42.88 97.58 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.422 178.741 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.76 -50.98 71.41 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.144 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 85' ' ' MET . . . . . 0.971 ' SD ' ' HB3' ' B' ' 47' ' ' ALA . 31.7 ttp -70.9 -42.34 70.09 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.291 -0.564 . . . . 0.0 110.463 178.019 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.5 ' HB2' ' O ' ' B' ' 82' ' ' THR . 3.3 t30 -61.83 -30.8 71.08 Favored 'General case' 0 CA--C 1.506 -0.719 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.035 -179.634 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . 0.644 ' HA ' ' HE1' ' B' ' 90' ' ' TRP . 0.2 OUTLIER -47.76 -43.21 27.14 Favored 'General case' 0 CA--C 1.511 -0.539 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 -179.021 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.405 ' CE2' HG11 ' B' ' 51' ' ' VAL . 86.8 m-85 -69.02 -38.5 79.24 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.239 178.425 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 5.6 m-30 -45.92 -76.61 0.02 OUTLIER 'General case' 0 CA--C 1.512 -0.508 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 -173.185 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . 0.644 ' HE1' ' HA ' ' B' ' 87' ' ' ASN . 0.0 OUTLIER -51.69 -32.93 31.87 Favored 'General case' 0 C--N 1.31 -1.126 0 C-N-CA 120.382 -0.527 . . . . 0.0 110.499 -173.54 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -69.97 -49.31 52.99 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.477 176.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 61.6 t-20 -92.87 98.85 11.64 Favored 'General case' 0 CA--C 1.506 -0.724 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 -179.322 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 14.2 t . . . . . 0 C--N 1.311 -1.097 0 CA-C-O 118.661 -0.685 . . . . 0.0 111.409 -171.365 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.446 0 N-CA-C 111.651 -0.579 . . . . 0.0 111.651 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.4 m -87.87 -172.86 4.03 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 110.154 -0.313 . . . . 0.0 110.154 179.193 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.51 ' CD ' ' H ' ' A' ' 3' ' ' GLU . 2.2 mp0 -46.56 -22.66 0.3 Allowed 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.93 0.395 . . . . 0.0 110.171 179.667 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.652 HD13 HD23 ' B' ' 11' ' ' LEU . 1.0 OUTLIER -60.89 -41.22 95.63 Favored 'General case' 0 CA--C 1.505 -0.779 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.802 -176.134 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -64.95 -42.54 94.54 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 119.037 -1.065 . . . . 0.0 110.095 178.336 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 17.1 m -62.23 -46.84 87.08 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 174.106 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.24 -42.59 95.6 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 177.466 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.517 ' SD ' ' OG1' ' B' ' 82' ' ' THR . 0.3 OUTLIER -63.69 -43.6 96.14 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 177.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 13' ' ' ASN . 96.7 mt-10 -65.19 -37.19 86.54 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.55 176.487 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 18.8 m -58.09 -45.25 87.49 Favored 'General case' 0 C--N 1.313 -1.005 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 178.061 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.765 HD23 HD22 ' B' ' 4' ' ' LEU . 82.8 mt -63.06 -41.04 99.37 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.019 172.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.48 ' O ' ' N ' ' A' ' 16' ' ' HIS . 21.5 mm -62.62 -44.27 99.25 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.54 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.213 178.724 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 9' ' ' GLU . 50.8 m-80 -60.5 -42.88 97.25 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 120.696 -0.401 . . . . 0.0 110.514 -174.18 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.828 HG21 HD11 ' B' ' 4' ' ' LEU . 71.1 t -62.09 -46.62 96.07 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 175.027 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.467 ' CE1' ' HB2' ' A' ' 28' ' ' LEU . 69.1 t80 -60.25 -45.18 94.15 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.542 176.121 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.536 ' CE1' ' CD2' ' B' ' 90' ' ' TRP . 0.2 OUTLIER -57.26 -49.89 74.62 Favored 'General case' 0 C--O 1.242 0.663 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.17 -179.359 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.83 -50.3 73.99 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.112 -179.04 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.413 ' HB3' ' CD1' ' A' ' 28' ' ' LEU . 92.6 m-70 -67.6 -36.57 81.1 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.435 -179.323 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.417 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 48.8 m -56.47 -41.42 76.53 Favored 'General case' 0 CA--C 1.514 -0.406 0 C-N-CA 120.299 -0.56 . . . . 0.0 110.266 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.13 -33.65 86.53 Favored Glycine 0 CA--C 1.522 0.505 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 179.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.4 mmtp -63.82 -76.04 0.07 Allowed 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 -175.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -124.05 -5.31 7.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.958 -0.564 . . . . 0.0 112.321 -171.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.507 ' HA3' ' O ' ' A' ' 27' ' ' LYS . . . -75.04 -111.02 0.09 OUTLIER Glycine 0 CA--C 1.529 0.907 0 N-CA-C 111.771 -0.532 . . . . 0.0 111.771 -176.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -151.1 -151.26 0.38 Allowed 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 178.323 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.405 ' HE3' ' CZ ' ' A' ' 26' ' ' TYR . 46.6 mtmt -61.84 -45.43 93.83 Favored 'General case' 0 CA--C 1.475 -1.925 0 N-CA-C 106.569 -1.641 . . . . 0.0 106.569 173.049 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.488 ' HB3' ' CE3' ' B' ' 90' ' ' TRP . 0.1 OUTLIER -146.46 93.31 2.28 Favored 'General case' 0 N--CA 1.428 -1.535 0 CA-C-N 113.762 -1.563 . . . . 0.0 109.672 170.838 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.507 ' O ' ' HA3' ' A' ' 23' ' ' GLY . 7.9 mmtm -163.85 159.05 20.66 Favored 'General case' 0 C--N 1.303 -1.447 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 174.356 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.467 ' HB2' ' CE1' ' A' ' 15' ' ' PHE . 45.6 tp -123.42 131.11 53.55 Favored 'General case' 0 C--N 1.307 -1.269 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 176.532 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.8 p -76.5 157.23 32.32 Favored 'General case' 0 C--O 1.243 0.755 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 178.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.487 ' NZ ' ' O ' ' A' ' 64' ' ' ASN . 8.3 mmmm -77.91 -7.89 57.36 Favored 'General case' 0 C--N 1.318 -0.799 0 C-N-CA 118.805 -1.158 . . . . 0.0 109.005 176.426 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 53.2 mttm -66.35 -50.17 64.45 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 176.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -75.56 -39.38 58.25 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 113.538 -1.664 . . . . 0.0 111.047 178.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.803 HD11 ' CD2' ' A' ' 77' ' ' LEU . 3.2 tm? -59.41 -44.79 92.77 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.083 -173.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.471 ' HB3' ' NZ ' ' A' ' 34' ' ' LYS . 7.1 mtpm? -62.61 -43.44 98.79 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 120.425 -0.51 . . . . 0.0 110.923 179.419 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.427 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 75.1 mm-40 -73.4 -52.25 14.45 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.233 0.539 . . . . 0.0 110.148 -177.735 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.532 ' HG ' ' N ' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -63.35 -43.86 96.49 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 115.906 -0.588 . . . . 0.0 112.456 -176.918 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.672 HD13 ' C ' ' A' ' 37' ' ' LEU . 2.9 tm? -61.59 -47.28 86.21 Favored 'General case' 0 CA--C 1.511 -0.556 0 C-N-CA 120.032 -0.667 . . . . 0.0 110.506 -177.419 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.587 ' HA ' HD22 ' A' ' 45' ' ' LEU . 18.0 pt20 -66.35 -41.07 90.06 Favored 'General case' 0 C--N 1.317 -0.834 0 C-N-CA 119.763 -0.775 . . . . 0.0 110.258 178.096 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 98.6 m -63.84 -52.36 60.46 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.67 -179.04 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.924 ' HB3' HD12 ' B' ' 4' ' ' LEU . 70.9 mm-40 -72.64 -43.01 63.79 Favored 'General case' 0 C--O 1.239 0.504 0 N-CA-C 112.587 0.588 . . . . 0.0 112.587 -173.418 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.9 mp -96.85 35.37 1.55 Allowed 'General case' 0 CA--C 1.505 -0.766 0 CA-C-O 121.206 0.527 . . . . 0.0 110.567 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.76 -33.99 69.09 Favored 'General case' 0 C--N 1.307 -1.242 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.355 -178.354 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.03 -50.81 43.7 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.565 -0.614 . . . . 0.0 111.565 177.423 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.539 ' HD1' ' SD ' ' A' ' 85' ' ' MET . 21.3 m-85 -70.47 -39.33 74.32 Favored 'General case' 0 CA--C 1.494 -1.193 0 CA-C-O 121.309 0.576 . . . . 0.0 110.163 176.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.587 HD22 ' HA ' ' A' ' 38' ' ' GLN . 44.5 tp -61.02 -44.83 96.83 Favored 'General case' 0 N--CA 1.427 -1.625 0 CA-C-N 115.23 -0.895 . . . . 0.0 111.463 -178.7 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -55.42 -46.18 76.68 Favored 'General case' 0 CA--C 1.511 -0.52 0 C-N-CA 119.91 -0.716 . . . . 0.0 110.534 -175.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.487 ' HB3' ' SD ' ' A' ' 85' ' ' MET . . . -66.68 -39.46 88.13 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.369 177.725 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.424 ' HG2' ' O ' ' A' ' 44' ' ' PHE . 85.8 mm-40 -76.45 -8.48 57.24 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.658 -0.701 . . . . 0.0 112.336 -177.737 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.507 ' HG3' ' O ' ' A' ' 45' ' ' LEU . 12.9 mtpt -56.99 -38.78 73.52 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 177.25 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -98.03 19.15 14.48 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.043 -176.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.492 HG12 ' H ' ' A' ' 53' ' ' ALA . 69.9 t -118.91 133.16 66.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 -178.139 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -57.54 -34.12 68.82 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.809 -176.627 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.492 ' H ' HG12 ' A' ' 51' ' ' VAL . . . -56.45 -30.47 62.9 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.225 -177.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 1.2 p -58.79 -43.53 88.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 C-N-CA 120.196 -0.602 . . . . 0.0 110.493 -178.545 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.511 ' OD1' ' NZ ' ' A' ' 59' ' ' LYS . 1.8 t70 -60.14 -55.57 32.18 Favored 'General case' 0 CA--C 1.504 -0.796 0 CA-C-O 121.559 0.695 . . . . 0.0 110.452 175.157 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 46.3 mttp -67.49 -39.93 85.21 Favored 'General case' 0 C--N 1.295 -1.778 0 CA-C-N 114.544 -1.207 . . . . 0.0 113.088 -173.474 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.552 HG12 HD12 ' A' ' 77' ' ' LEU . 52.8 t -63.67 -45.78 96.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 174.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.489 ' O ' ' N ' ' A' ' 62' ' ' ASP . 65.1 ttp -62.29 -38.43 89.35 Favored 'General case' 0 N--CA 1.434 -1.261 0 CA-C-N 114.504 -1.225 . . . . 0.0 109.817 174.75 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.511 ' NZ ' ' OD1' ' A' ' 55' ' ' ASP . 0.4 OUTLIER -60.83 -42.04 96.96 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.672 -174.853 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -58.15 -45.67 87.02 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 178.018 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.734 ' HG ' HD22 ' A' ' 77' ' ' LEU . 2.6 mm? -64.36 -40.6 96.17 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.273 173.612 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.489 ' N ' ' O ' ' A' ' 58' ' ' MET . 18.3 t0 -60.99 -38.85 87.47 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 -178.12 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.496 ' C ' ' H ' ' A' ' 65' ' ' GLY . 97.2 mt-10 -63.82 -43.17 97.03 Favored 'General case' 0 CA--C 1.502 -0.874 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 173.432 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.487 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . 8.6 t-20 -74.41 36.61 0.1 Allowed 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.28 178.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.496 ' H ' ' C ' ' A' ' 63' ' ' GLU . . . -100.74 -3.7 54.91 Favored Glycine 0 CA--C 1.508 -0.359 0 N-CA-C 109.662 -1.375 . . . . 0.0 109.662 179.633 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -61.54 -40.35 94.37 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.086 -0.557 . . . . 0.0 110.403 -177.428 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -128.66 -140.9 5.06 Favored Glycine 0 C--N 1.311 -0.849 0 N-CA-C 109.229 -1.548 . . . . 0.0 109.229 176.362 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.432 ' N ' ' CD ' ' A' ' 68' ' ' GLU . 19.4 mp0 -90.64 175.62 6.97 Favored 'General case' 0 C--N 1.309 -1.154 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 176.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.637 HG23 ' CB ' ' A' ' 73' ' ' GLU . 1.9 p -117.94 131.24 71.25 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 174.79 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -94.15 -176.56 4.02 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.168 0.509 . . . . 0.0 110.643 -176.08 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.482 ' O ' HG22 ' A' ' 75' ' ' VAL . 48.6 t80 -61.06 -44.62 97.1 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.256 178.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -61.29 -42.25 98.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.59 -179.203 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.637 ' CB ' HG23 ' A' ' 69' ' ' VAL . 70.0 mm-40 -70.2 -38.14 75.25 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 121.605 0.717 . . . . 0.0 110.09 174.447 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -61.67 -48.58 80.19 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.873 179.505 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.897 HG21 ' CB ' ' B' ' 79' ' ' ALA . 19.0 m -63.22 -40.7 90.04 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -177.086 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.412 HG12 ' O ' ' A' ' 73' ' ' GLU . 9.2 p -63.96 -38.75 83.22 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.713 0 C-N-CA 120.364 -0.534 . . . . 0.0 110.574 -179.384 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.803 ' CD2' HD11 ' A' ' 33' ' ' LEU . 59.3 tp -61.32 -47.81 84.23 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.296 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.544 HG12 HD23 ' A' ' 37' ' ' LEU . 28.2 m -69.66 -42.53 80.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 C-N-CA 120.21 -0.596 . . . . 0.0 111.07 176.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.974 ' CB ' HG21 ' B' ' 75' ' ' VAL . . . -63.41 -41.48 98.73 Favored 'General case' 0 CA--C 1.508 -0.641 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.6 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.12 -48.44 80.2 Favored 'General case' 0 N--CA 1.44 -0.937 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.991 -179.164 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.497 ' CD1' HD11 ' A' ' 37' ' ' LEU . 87.5 mt -63.19 -42.0 99.27 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.826 175.51 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.62 HG21 ' HB3' ' B' ' 8' ' ' MET . 21.0 m -61.98 -51.43 68.1 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.344 -179.591 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.418 ' HB ' ' HB3' ' B' ' 71' ' ' PHE . 10.0 p -63.3 -43.38 98.62 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.579 0 C-N-CA 120.093 -0.643 . . . . 0.0 110.539 -179.493 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -53.89 -52.66 59.79 Favored 'General case' 0 N--CA 1.44 -0.927 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.488 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.539 ' SD ' ' HD1' ' A' ' 44' ' ' PHE . 27.3 ttt -77.03 -44.05 32.28 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 119.638 -0.825 . . . . 0.0 111.921 178.272 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.663 ' OD1' HG21 ' B' ' 12' ' ' ILE . 8.3 t-20 -62.47 -40.07 95.45 Favored 'General case' 0 CA--C 1.513 -0.479 0 C-N-CA 120.58 -0.448 . . . . 0.0 111.666 -174.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.57 ' C ' HD22 ' A' ' 87' ' ' ASN . 0.2 OUTLIER -47.39 -32.55 5.03 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.194 179.923 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.475 ' O ' ' N ' ' A' ' 92' ' ' ASN . 71.0 m-85 -63.59 -34.78 78.58 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.871 178.776 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.431 ' N ' ' O ' ' A' ' 86' ' ' ASN . 55.3 m-85 -61.05 -37.98 84.54 Favored 'General case' 0 CA--C 1.514 -0.426 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 175.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.656 ' CD1' ' N ' ' A' ' 90' ' ' TRP . 2.4 m0 -64.13 -41.75 97.09 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 179.164 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 63.9 mt-10 -71.0 -43.43 67.98 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 114.875 -1.057 . . . . 0.0 111.192 176.605 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.475 ' N ' ' O ' ' A' ' 88' ' ' PHE . 35.6 t30 -94.89 99.7 11.7 Favored 'General case' 0 CA--C 1.5 -0.945 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 179.039 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.9 m . . . . . 0 C--O 1.203 -1.379 0 CA-C-O 118.771 -0.633 . . . . 0.0 109.9 -174.53 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.295 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . 0.425 ' C ' ' N ' ' B' ' 4' ' ' LEU . 19.0 m -73.22 158.57 34.95 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.746 0.308 . . . . 0.0 110.813 179.51 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.619 ' H ' ' CD ' ' B' ' 3' ' ' GLU . 2.7 mp0 -49.62 -18.57 0.46 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.828 177.492 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.924 HD12 ' HB3' ' A' ' 40' ' ' GLU . 89.7 mt -61.08 -41.11 96.02 Favored 'General case' 0 N--CA 1.436 -1.135 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 178.054 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -62.77 -43.05 99.81 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 178.116 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.407 ' O ' ' N ' ' B' ' 10' ' ' THR . 9.8 m -61.19 -45.72 93.43 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.325 174.756 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.49 -47.19 84.91 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.441 176.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . 0.62 ' HB3' HG21 ' A' ' 82' ' ' THR . 1.8 mtp -63.35 -42.96 98.94 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.148 178.219 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -64.83 -35.82 82.35 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.644 176.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.407 ' N ' ' O ' ' B' ' 6' ' ' THR . 12.3 m -58.85 -44.34 90.96 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 174.47 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.652 HD23 HD13 ' A' ' 4' ' ' LEU . 93.6 mt -63.07 -39.26 94.19 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.157 175.126 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.663 HG21 ' OD1' ' A' ' 86' ' ' ASN . 17.8 mm -61.73 -43.28 96.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.977 -179.092 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -57.7 -44.07 85.61 Favored 'General case' 0 C--N 1.318 -0.791 0 C-N-CA 120.941 -0.304 . . . . 0.0 110.481 -174.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 96.2 t -63.43 -48.68 86.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.386 0.612 . . . . 0.0 109.647 177.472 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.498 ' CE2' ' HB2' ' B' ' 28' ' ' LEU . 48.1 t80 -61.17 -48.02 83.48 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.671 0.748 . . . . 0.0 110.151 178.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -62.21 -47.34 84.89 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 114.862 -1.063 . . . . 0.0 110.977 -176.314 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.84 -46.19 90.05 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 120.831 0.348 . . . . 0.0 110.642 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 86.5 m-70 -71.24 -26.92 63.12 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.168 -0.469 . . . . 0.0 112.233 -179.434 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 38.6 m -53.56 -42.61 67.71 Favored 'General case' 0 CA--C 1.52 -0.192 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 177.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.48 -41.97 99.74 Favored Glycine 0 CA--C 1.522 0.503 0 CA-C-N 115.928 -0.578 . . . . 0.0 112.077 179.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -65.94 -46.24 78.9 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 -172.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -142.46 -4.9 0.97 Allowed 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -176.349 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . 0.443 ' HA3' ' O ' ' B' ' 27' ' ' LYS . . . -89.35 176.07 43.15 Favored Glycine 0 C--N 1.308 -1.002 0 N-CA-C 110.491 -1.044 . . . . 0.0 110.491 -175.628 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.486 ' CG ' ' H ' ' B' ' 25' ' ' LYS . 10.5 t70 -75.88 -157.87 0.08 Allowed 'General case' 0 CA--C 1.512 -0.498 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 176.5 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.486 ' H ' ' CG ' ' B' ' 24' ' ' ASP . 0.2 OUTLIER -62.03 -45.63 92.75 Favored 'General case' 0 CA--C 1.488 -1.429 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 177.653 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.547 ' HB3' ' CE3' ' A' ' 90' ' ' TRP . 0.1 OUTLIER -137.79 89.79 2.44 Favored 'General case' 0 N--CA 1.426 -1.655 0 CA-C-N 114.934 -1.03 . . . . 0.0 108.918 170.169 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.485 ' NZ ' ' HB3' ' B' ' 70' ' ' ASP . 0.0 OUTLIER -167.27 164.87 15.43 Favored 'General case' 0 C--N 1.311 -1.085 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 172.722 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.603 HD21 HD21 ' B' ' 36' ' ' LEU . 53.0 tp -123.51 132.62 53.97 Favored 'General case' 0 C--N 1.304 -1.374 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 174.688 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.97 166.57 15.81 Favored 'General case' 0 C--N 1.308 -1.212 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.849 -177.807 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.453 ' NZ ' ' O ' ' B' ' 65' ' ' GLY . 7.4 mmmm -76.78 -3.11 36.57 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.719 -176.22 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.416 ' H ' ' HG3' ' B' ' 31' ' ' LYS . 32.4 mttt -80.94 -60.05 2.44 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 121.914 0.864 . . . . 0.0 108.873 -179.254 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -64.79 -35.93 82.68 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.063 -1.426 . . . . 0.0 109.581 -178.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.663 HD13 ' C ' ' B' ' 33' ' ' LEU . 2.9 tm? -59.27 -43.45 92.48 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.973 -1.012 . . . . 0.0 110.857 -174.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 50.2 mttp -61.22 -42.53 98.75 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -70.95 -50.44 34.55 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.685 -0.689 . . . . 0.0 112.313 -177.157 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.603 HD21 HD21 ' B' ' 28' ' ' LEU . 1.1 pp -68.23 -40.82 81.91 Favored 'General case' 0 CA--C 1.509 -0.617 0 C-N-CA 119.758 -0.777 . . . . 0.0 111.676 -178.494 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.621 HD23 HG12 ' B' ' 78' ' ' VAL . 2.8 tm? -61.32 -47.07 87.62 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.289 -0.564 . . . . 0.0 110.842 -176.714 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.462 ' HB2' ' CD2' ' B' ' 45' ' ' LEU . 14.5 pt20 -65.42 -42.05 92.91 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 119.826 -0.75 . . . . 0.0 109.977 176.601 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 94.4 m -65.01 -52.67 54.78 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.38 -177.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.479 ' HB3' ' HG ' ' A' ' 4' ' ' LEU . 46.3 mm-40 -69.92 -39.77 75.97 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.816 0.672 . . . . 0.0 112.816 -176.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 10.4 mp -107.68 37.13 2.51 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 121.087 0.47 . . . . 0.0 110.407 179.254 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.29 -36.5 73.4 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.371 -176.138 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.52 -51.25 49.76 Favored Glycine 0 C--O 1.246 0.859 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 177.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.492 ' O ' ' N ' ' B' ' 48' ' ' GLN . 19.5 m-85 -66.1 -41.11 91.08 Favored 'General case' 0 CA--C 1.502 -0.886 0 CA-C-O 120.855 0.36 . . . . 0.0 110.087 176.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.507 ' O ' HD12 ' B' ' 45' ' ' LEU . 3.0 tp -58.91 -48.11 82.63 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.89 179.536 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -61.6 -42.14 98.44 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.602 179.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.9 -35.25 80.54 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.881 173.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.508 ' NE2' ' HB ' ' B' ' 51' ' ' VAL . 3.2 mm100 -78.5 -11.92 59.98 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.735 -0.666 . . . . 0.0 112.73 -177.198 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.486 ' HG3' ' O ' ' B' ' 45' ' ' LEU . 67.8 mttm -59.33 -39.69 83.94 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 120.798 -0.361 . . . . 0.0 111.876 -175.482 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -89.5 14.12 12.2 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.388 -0.525 . . . . 0.0 111.586 -179.416 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . 0.646 ' O ' HG12 ' B' ' 54' ' ' VAL . 2.7 t -117.08 126.66 74.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 176.128 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.405 ' OD2' ' NZ ' ' B' ' 56' ' ' LYS . 33.8 t70 -60.61 -35.44 76.15 Favored 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 120.935 -0.306 . . . . 0.0 111.376 -177.792 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.408 ' O ' HG23 ' B' ' 57' ' ' VAL . . . -45.19 -29.72 1.01 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.416 -177.709 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.646 HG12 ' O ' ' B' ' 51' ' ' VAL . 9.9 p -60.21 -42.55 90.72 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 C-N-CA 120.34 -0.544 . . . . 0.0 109.914 179.55 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.457 ' OD1' ' NZ ' ' B' ' 59' ' ' LYS . 18.8 t70 -60.92 -52.44 65.03 Favored 'General case' 0 CA--C 1.497 -1.085 0 CA-C-O 121.44 0.638 . . . . 0.0 110.315 176.308 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . 0.405 ' NZ ' ' OD2' ' B' ' 52' ' ' ASP . 49.6 mttp -63.72 -42.33 97.93 Favored 'General case' 0 C--N 1.304 -1.396 0 CA-C-N 114.962 -1.017 . . . . 0.0 112.152 -175.646 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.625 HG12 HD12 ' B' ' 77' ' ' LEU . 78.1 t -63.48 -47.25 92.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 178.005 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 65.8 ttp -62.84 -42.49 99.76 Favored 'General case' 0 N--CA 1.432 -1.344 0 CA-C-N 114.845 -1.071 . . . . 0.0 110.623 176.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . 0.613 ' HB2' ' HZ2' ' B' ' 59' ' ' LYS . 0.4 OUTLIER -64.05 -41.85 97.25 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.697 -179.152 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 -61.17 -40.8 95.25 Favored 'General case' 0 C--N 1.319 -0.746 0 C-N-CA 119.562 -0.855 . . . . 0.0 109.027 177.253 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.643 ' HG ' HD13 ' B' ' 77' ' ' LEU . 2.6 mm? -63.37 -38.66 92.02 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 171.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.439 ' HA ' ' HZ3' ' B' ' 30' ' ' LYS . 25.4 t70 -60.81 -45.39 94.64 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 177.738 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -68.34 -51.81 40.32 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.898 178.52 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . 0.439 ' C ' ' H ' ' B' ' 66' ' ' ASP . 9.9 t-20 -69.29 -48.45 61.6 Favored 'General case' 0 CA--C 1.503 -0.833 0 CA-C-O 121.476 0.655 . . . . 0.0 110.348 -177.126 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' B' ' 61' ' ' LEU . . . -77.39 45.98 2.44 Favored Glycine 0 CA--C 1.493 -1.321 0 N-CA-C 108.796 -1.721 . . . . 0.0 108.796 176.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.439 ' H ' ' C ' ' B' ' 64' ' ' ASN . 29.6 t70 -60.99 -33.96 74.05 Favored 'General case' 0 CA--C 1.497 -1.083 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 -178.42 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -108.8 -62.39 0.54 Allowed Glycine 0 C--N 1.312 -0.789 0 N-CA-C 110.058 -1.217 . . . . 0.0 110.058 177.177 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.4 ' O ' ' HA2' ' B' ' 65' ' ' GLY . 97.5 mt-10 -139.82 169.34 17.89 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 -178.203 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.664 HG23 ' CB ' ' B' ' 73' ' ' GLU . 1.5 p -122.09 128.08 75.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 174.334 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.485 ' HB3' ' NZ ' ' B' ' 27' ' ' LYS . 0.0 OUTLIER -93.7 -179.94 5.17 Favored 'General case' 0 CA--C 1.515 -0.368 0 C-N-CA 120.708 -0.397 . . . . 0.0 111.06 -179.1 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.71 ' O ' HG22 ' B' ' 75' ' ' VAL . 58.0 t80 -61.18 -44.62 97.0 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 179.278 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -59.67 -41.09 89.88 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.864 175.428 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.664 ' CB ' HG23 ' B' ' 69' ' ' VAL . 44.4 mt-10 -66.92 -43.52 83.07 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 174.386 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -63.14 -48.85 76.7 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.344 -0.844 . . . . 0.0 112.139 -176.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.974 HG21 ' CB ' ' A' ' 79' ' ' ALA . 12.9 m -62.38 -41.0 90.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 C-N-CA 120.386 -0.525 . . . . 0.0 111.95 -177.197 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.495 HG12 ' O ' ' B' ' 73' ' ' GLU . 14.7 p -64.39 -37.53 80.22 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.788 0 C-N-CA 120.374 -0.53 . . . . 0.0 109.918 178.298 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.643 HD13 ' HG ' ' B' ' 61' ' ' LEU . 54.5 tp -61.54 -49.0 78.46 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.602 179.039 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.621 HG12 HD23 ' B' ' 37' ' ' LEU . 27.1 m -67.95 -43.15 85.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 C-N-CA 119.947 -0.701 . . . . 0.0 110.605 176.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.897 ' CB ' HG21 ' A' ' 75' ' ' VAL . . . -63.28 -42.81 99.13 Favored 'General case' 0 CA--C 1.509 -0.608 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.801 179.356 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . 0.412 ' O ' HG12 ' B' ' 83' ' ' VAL . . . -59.83 -46.26 89.8 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-O 121.248 0.547 . . . . 0.0 110.011 -178.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.452 ' CD1' HD11 ' B' ' 37' ' ' LEU . 93.1 mt -63.64 -42.56 98.11 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.569 174.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.517 ' OG1' ' SD ' ' A' ' 8' ' ' MET . 20.5 m -63.23 -49.28 74.78 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.657 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.424 HG13 ' N ' ' B' ' 84' ' ' ALA . 11.4 p -61.16 -46.27 96.96 Favored 'Isoleucine or valine' 0 C--O 1.24 0.578 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.732 -177.03 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 0.424 ' N ' HG13 ' B' ' 83' ' ' VAL . . . -59.74 -50.29 74.4 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.335 179.003 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.5 -44.87 77.44 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.468 0.651 . . . . 0.0 110.526 179.098 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.505 ' OD1' ' NE1' ' B' ' 90' ' ' TRP . 12.5 t-20 -63.36 -39.91 95.83 Favored 'General case' 0 CA--C 1.505 -0.762 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.409 -176.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -45.14 -33.07 2.06 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.087 -176.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -61.97 -37.1 83.49 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.467 176.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . 0.44 ' N ' ' O ' ' B' ' 86' ' ' ASN . 40.4 m-85 -60.86 -41.19 95.42 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.964 0.411 . . . . 0.0 110.383 177.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . 0.536 ' CD2' ' CE1' ' A' ' 16' ' ' HIS . 33.0 m95 -60.06 -47.19 86.89 Favored 'General case' 0 CA--C 1.493 -1.225 0 CA-C-O 121.623 0.725 . . . . 0.0 109.301 -177.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -83.87 -48.43 10.04 Favored 'General case' 0 C--N 1.301 -1.524 0 CA-C-N 114.196 -1.366 . . . . 0.0 110.934 -175.338 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -89.67 100.92 13.63 Favored 'General case' 0 CA--C 1.507 -0.678 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 176.284 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . 0.418 ' OG ' ' O ' ' B' ' 89' ' ' PHE . 0.8 OUTLIER . . . . . 0 C--O 1.204 -1.313 0 CA-C-O 118.497 -0.763 . . . . 0.0 109.634 -175.519 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.748 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m -74.05 169.15 18.09 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.24 -45.94 86.86 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.573 179.165 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.514 ' H ' HD22 ' A' ' 4' ' ' LEU . 1.6 mm? -61.85 -42.91 99.62 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 178.742 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -65.37 -47.33 76.78 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.078 178.412 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 10' ' ' THR . 10.5 m -63.02 -43.49 98.59 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.441 -0.8 . . . . 0.0 111.208 177.488 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.758 ' HB1' ' HB1' ' B' ' 7' ' ' ALA . . . -53.56 -45.11 69.78 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.615 ' SD ' HD11 ' B' ' 11' ' ' LEU . 95.7 mmm -65.16 -40.06 93.81 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.124 176.722 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -62.9 -37.39 86.77 Favored 'General case' 0 CA--C 1.518 -0.258 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 176.251 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.693 HG22 ' CD1' ' B' ' 4' ' ' LEU . 7.8 m -59.45 -44.76 92.89 Favored 'General case' 0 C--N 1.313 -1.021 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 -178.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.597 HD11 ' SD ' ' B' ' 8' ' ' MET . 98.4 mt -62.22 -40.39 95.94 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.404 174.545 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.527 HD13 ' CE1' ' A' ' 71' ' ' PHE . 24.2 mm -62.36 -43.48 98.18 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 179.258 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -60.74 -42.85 98.17 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.433 HG21 HD21 ' B' ' 4' ' ' LEU . 75.8 t -64.25 -46.32 93.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.72 175.053 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -58.69 -47.97 82.7 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.636 -179.499 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.513 ' CD2' HD21 ' B' ' 86' ' ' ASN . 3.0 m-70 -65.24 -38.71 91.2 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.732 176.657 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.26 -47.6 78.21 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 177.35 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.615 ' CE1' ' HB2' ' A' ' 36' ' ' LEU . 91.4 m-70 -69.93 -38.13 76.1 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.748 -0.66 . . . . 0.0 112.371 177.174 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.4 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 68.3 m -53.6 -40.82 66.03 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-O 121.508 0.67 . . . . 0.0 109.954 -179.632 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.41 -26.71 69.81 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.632 -0.987 . . . . 0.0 110.632 176.327 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.462 ' HB3' ' O ' ' A' ' 18' ' ' HIS . 0.1 OUTLIER -62.16 -45.28 94.12 Favored 'General case' 0 CA--C 1.515 -0.384 0 N-CA-C 110.735 -0.098 . . . . 0.0 110.735 -177.695 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.448 ' OE1' ' N ' ' A' ' 29' ' ' SER . 3.7 pt-20 -91.32 -11.91 36.58 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-O 120.982 0.42 . . . . 0.0 110.609 178.689 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.25 19.29 53.34 Favored Glycine 0 CA--C 1.527 0.811 0 CA-C-N 115.707 -0.679 . . . . 0.0 112.877 175.26 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -78.22 156.18 29.92 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 117.31 0.555 . . . . 0.0 109.825 176.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.458 ' HE2' ' CZ ' ' A' ' 26' ' ' TYR . 23.5 pttm -60.05 -42.71 95.05 Favored 'General case' 0 CA--C 1.512 -0.484 0 C-N-CA 119.947 -0.701 . . . . 0.0 109.373 173.744 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.458 ' CZ ' ' HE2' ' A' ' 25' ' ' LYS . 11.2 p90 -172.66 93.83 0.12 Allowed 'General case' 0 N--CA 1.446 -0.659 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.577 171.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.497 ' NZ ' ' OE1' ' A' ' 68' ' ' GLU . 9.0 mmmm -156.35 168.43 27.37 Favored 'General case' 0 C--N 1.311 -1.108 0 N-CA-C 107.145 -1.428 . . . . 0.0 107.145 174.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.539 ' HB3' HG13 ' A' ' 69' ' ' VAL . 44.0 tp -124.44 129.6 50.95 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 174.625 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.448 ' N ' ' OE1' ' A' ' 22' ' ' GLU . 8.9 p -79.28 156.71 27.95 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.571 ' NZ ' ' O ' ' A' ' 68' ' ' GLU . 5.7 mmtm -75.56 -6.64 51.29 Favored 'General case' 0 CA--C 1.514 -0.41 0 C-N-CA 118.485 -1.286 . . . . 0.0 108.82 176.388 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . 0.252 59.6 mttm -62.49 -46.02 90.36 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 106.958 -1.497 . . . . 0.0 106.958 176.563 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.488 ' O ' ' HB3' ' A' ' 36' ' ' LEU . 33.5 mm-40 -88.61 -28.76 20.46 Favored 'General case' 0 N--CA 1.435 -1.214 0 CA-C-N 113.385 -1.734 . . . . 0.0 110.472 -177.407 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.807 HD11 HD22 ' A' ' 77' ' ' LEU . 3.3 tm? -57.27 -49.17 76.91 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.543 -0.463 . . . . 0.0 110.456 -173.345 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -66.36 -45.17 81.03 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 120.28 -0.568 . . . . 0.0 111.822 178.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.428 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 62.6 mt-10 -73.47 -45.37 54.55 Favored 'General case' 0 C--O 1.239 0.525 0 N-CA-C 113.183 0.809 . . . . 0.0 113.183 -178.732 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.615 ' HB2' ' CE1' ' A' ' 18' ' ' HIS . 0.1 OUTLIER -64.9 -43.71 91.95 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 120.996 0.426 . . . . 0.0 111.733 179.716 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.69 HD13 ' C ' ' A' ' 37' ' ' LEU . 2.8 tm? -60.97 -46.35 91.07 Favored 'General case' 0 C--N 1.316 -0.848 0 C-N-CA 120.15 -0.62 . . . . 0.0 110.208 -175.828 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.428 ' HG2' ' O ' ' A' ' 35' ' ' GLU . 4.1 pt20 -65.33 -42.29 93.09 Favored 'General case' 0 C--N 1.318 -0.789 0 C-N-CA 120.118 -0.633 . . . . 0.0 110.132 176.158 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.401 ' N ' ' HG3' ' A' ' 38' ' ' GLN . 79.3 m -64.53 -53.37 49.07 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.39 -179.355 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.437 ' OE2' ' NE2' ' A' ' 18' ' ' HIS . 1.6 mp0 -69.58 -39.36 77.36 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -177.412 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.672 HD22 HD21 ' A' ' 37' ' ' LEU . 11.1 mp -102.38 36.74 2.06 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-O 120.983 0.421 . . . . 0.0 110.655 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.0 -36.35 72.54 Favored 'General case' 0 C--N 1.306 -1.306 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.761 -176.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -66.36 -48.16 65.7 Favored Glycine 0 CA--C 1.528 0.887 0 N-CA-C 111.465 -0.654 . . . . 0.0 111.465 177.05 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.469 ' HD1' ' SD ' ' A' ' 85' ' ' MET . 20.9 m-85 -66.17 -41.19 90.68 Favored 'General case' 0 CA--C 1.498 -1.047 0 CA-C-O 121.513 0.673 . . . . 0.0 109.46 176.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.41 HD22 ' HA ' ' A' ' 38' ' ' GLN . 42.7 tp -61.16 -44.83 96.7 Favored 'General case' 0 C--N 1.303 -1.421 0 CA-C-N 114.692 -1.14 . . . . 0.0 111.111 177.707 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -54.55 -43.34 71.9 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.059 0.457 . . . . 0.0 110.26 -178.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.14 -24.22 67.61 Favored 'General case' 0 C--O 1.242 0.684 0 CA-C-N 115.353 -0.84 . . . . 0.0 112.245 -178.178 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.478 HE21 ' C ' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -142.22 44.67 1.66 Allowed 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -175.608 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.407 ' HG3' ' O ' ' A' ' 45' ' ' LEU . 35.0 mtpt -63.68 -39.25 93.86 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.84 0.352 . . . . 0.0 110.408 178.549 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -109.43 36.07 3.08 Favored 'General case' 0 C--O 1.24 0.582 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.182 -177.013 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.918 ' O ' HG12 ' A' ' 54' ' ' VAL . 54.1 t -112.08 133.78 56.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.484 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 32.4 t70 -56.31 -35.67 67.81 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.895 -173.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.417 ' H ' HG12 ' A' ' 51' ' ' VAL . . . -51.22 -41.27 60.17 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.614 -177.583 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.918 HG12 ' O ' ' A' ' 51' ' ' VAL . 13.1 p -63.15 -40.68 89.96 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 C-N-CA 120.005 -0.678 . . . . 0.0 110.651 178.738 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.576 ' HA ' ' SD ' ' A' ' 58' ' ' MET . 31.8 t70 -62.49 -43.67 98.25 Favored 'General case' 0 CA--C 1.494 -1.204 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 175.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.484 ' NZ ' ' OD2' ' A' ' 52' ' ' ASP . 36.7 mmtm -69.07 -47.89 64.11 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.172 -176.681 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.622 HG12 HD12 ' A' ' 77' ' ' LEU . 76.8 t -64.3 -47.27 90.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.043 0.449 . . . . 0.0 110.798 -179.744 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.576 ' SD ' ' HA ' ' A' ' 55' ' ' ASP . 7.2 ptm -61.6 -28.65 69.51 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.091 0.472 . . . . 0.0 110.53 178.091 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.599 ' HB2' ' NZ ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -60.98 -47.18 87.66 Favored 'General case' 0 C--O 1.217 -0.621 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.766 -177.726 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 76.4 tt0 -61.16 -41.27 96.48 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 119.956 -0.698 . . . . 0.0 109.142 -178.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.525 ' HG ' HD13 ' A' ' 77' ' ' LEU . 2.9 mm? -62.17 -42.07 98.92 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.441 174.292 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -65.2 -43.88 90.14 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.304 177.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -62.45 -42.57 99.56 Favored 'General case' 0 CA--C 1.5 -0.947 0 N-CA-C 108.49 -0.929 . . . . 0.0 108.49 175.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.519 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . 9.6 t-20 -80.9 14.24 2.3 Favored 'General case' 0 C--N 1.308 -1.215 0 CA-C-N 115.032 -0.985 . . . . 0.0 109.807 177.088 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.568 ' HA2' ' HG3' ' A' ' 30' ' ' LYS . . . -80.95 32.41 2.47 Favored Glycine 0 C--O 1.228 -0.219 0 N-CA-C 109.492 -1.443 . . . . 0.0 109.492 176.441 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.469 ' H ' ' C ' ' A' ' 64' ' ' ASN . 31.8 t70 -59.82 -41.1 90.55 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 123.281 0.632 . . . . 0.0 110.406 -178.721 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -146.5 -75.16 0.02 OUTLIER Glycine 0 C--N 1.317 -0.503 0 N-CA-C 110.659 -0.977 . . . . 0.0 110.659 179.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.571 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . 4.5 mp0 -123.12 -174.95 3.06 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.021 0.439 . . . . 0.0 110.421 -179.389 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.759 HG11 ' HB2' ' A' ' 33' ' ' LEU . 1.9 p -127.94 129.24 69.7 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.174 0 N-CA-C 107.023 -1.473 . . . . 0.0 107.023 168.349 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.598 ' CG ' ' N ' ' A' ' 71' ' ' PHE . 1.0 OUTLIER -98.06 177.2 5.49 Favored 'General case' 0 C--N 1.302 -1.467 0 C-N-CA 120.353 -0.539 . . . . 0.0 110.03 -178.493 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.605 ' O ' HG22 ' A' ' 75' ' ' VAL . 47.4 t80 -58.12 -42.1 85.06 Favored 'General case' 0 C--N 1.31 -1.152 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 -178.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -60.81 -41.95 96.7 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.213 178.52 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.755 ' HB2' HG23 ' A' ' 69' ' ' VAL . 77.6 mt-10 -68.16 -40.28 82.37 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 119.741 -0.784 . . . . 0.0 109.387 173.395 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -61.86 -47.56 84.49 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.17 -0.923 . . . . 0.0 112.327 -176.069 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.872 HG21 ' CB ' ' B' ' 79' ' ' ALA . 16.6 m -64.88 -40.68 89.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 C-N-CA 120.527 -0.469 . . . . 0.0 111.988 -177.779 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.455 HG22 ' O ' ' A' ' 73' ' ' GLU . 33.3 m -64.69 -39.9 87.21 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.825 0 C-N-CA 120.641 -0.424 . . . . 0.0 110.792 179.827 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.807 HD22 HD11 ' A' ' 33' ' ' LEU . 59.2 tp -61.46 -48.95 78.77 Favored 'General case' 0 CA--C 1.509 -0.625 0 CA-C-O 120.89 0.376 . . . . 0.0 109.994 -179.463 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.669 HG12 HD23 ' A' ' 37' ' ' LEU . 8.2 m -68.59 -43.29 83.58 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.044 0 C-N-CA 120.082 -0.647 . . . . 0.0 110.4 177.674 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.819 ' CB ' HG21 ' B' ' 75' ' ' VAL . . . -62.22 -47.75 83.02 Favored 'General case' 0 CA--C 1.511 -0.526 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.419 179.7 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.92 -46.86 84.35 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.508 ' CD1' HD11 ' A' ' 37' ' ' LEU . 96.2 mt -63.46 -41.93 98.61 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.825 175.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.456 HG21 ' HB3' ' B' ' 8' ' ' MET . 97.7 m -60.94 -51.03 71.01 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.201 -177.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 14.7 p -63.82 -43.08 97.77 Favored 'Isoleucine or valine' 0 C--O 1.237 0.407 0 C-N-CA 120.148 -0.621 . . . . 0.0 110.229 179.21 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.56 -50.32 73.49 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 120.424 -0.511 . . . . 0.0 109.809 177.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.469 ' SD ' ' HD1' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -66.63 -44.62 81.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.892 0.377 . . . . 0.0 111.101 177.415 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.434 ' O ' ' HB2' ' A' ' 89' ' ' PHE . 9.0 m120 -65.11 -21.4 66.79 Favored 'General case' 0 CA--C 1.511 -0.543 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.578 -177.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.402 ' OD1' ' CZ ' ' B' ' 26' ' ' TYR . 43.5 t30 -57.88 -39.61 78.25 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 175.095 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.473 ' O ' ' N ' ' A' ' 92' ' ' ASN . 83.0 m-85 -63.42 -35.11 79.32 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.19 177.194 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.434 ' HB2' ' O ' ' A' ' 86' ' ' ASN . 7.7 m-85 -55.84 -48.32 75.71 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 119.982 -0.687 . . . . 0.0 109.856 -179.061 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.513 ' NE1' ' CE1' ' B' ' 16' ' ' HIS . 29.2 m95 -75.93 -46.51 29.49 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.986 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -68.21 -36.45 79.56 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -179.246 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.473 ' N ' ' O ' ' A' ' 88' ' ' PHE . 49.9 t30 -52.02 107.4 0.2 Allowed 'General case' 0 CA--C 1.511 -0.528 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 -179.721 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.1 t . . . . . 0 C--O 1.21 -1.007 0 CA-C-O 118.242 -0.885 . . . . 0.0 110.793 -172.922 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.578 0 N-CA-C 111.149 -0.78 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . 0.411 ' O ' ' HB2' ' B' ' 5' ' ' GLU . 4.3 m -72.91 166.77 22.35 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 178.512 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -57.89 -32.53 67.81 Favored 'General case' 0 CA--C 1.509 -0.633 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 178.529 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.693 ' CD1' HG22 ' A' ' 10' ' ' THR . 0.4 OUTLIER -60.48 -42.18 95.75 Favored 'General case' 0 CA--C 1.506 -0.737 0 N-CA-C 107.821 -1.177 . . . . 0.0 107.821 177.303 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.411 ' HB2' ' O ' ' B' ' 2' ' ' SER . 49.3 mt-10 -63.73 -41.91 97.99 Favored 'General case' 0 N--CA 1.436 -1.164 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.079 177.415 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.443 ' O ' ' N ' ' B' ' 10' ' ' THR . 7.5 m -60.46 -45.41 93.78 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 174.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.758 ' HB1' ' HB1' ' A' ' 7' ' ' ALA . . . -59.1 -45.71 90.16 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.915 178.381 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . 0.597 ' SD ' HD11 ' A' ' 11' ' ' LEU . 95.5 mmm -64.4 -39.82 94.6 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.549 -0.461 . . . . 0.0 110.206 177.613 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 64.2 mt-10 -63.13 -37.77 88.54 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 120.207 -0.597 . . . . 0.0 109.418 173.238 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.498 HG22 ' CD1' ' A' ' 4' ' ' LEU . 7.2 m -59.25 -44.32 92.38 Favored 'General case' 0 N--CA 1.445 -0.717 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 178.549 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.615 HD11 ' SD ' ' A' ' 8' ' ' MET . 95.3 mt -63.01 -41.94 99.7 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.997 174.448 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.459 HG23 ' CD2' ' B' ' 16' ' ' HIS . 15.4 mm -62.21 -44.15 98.75 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 179.483 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 24.7 m-80 -61.37 -43.87 98.14 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.368 -178.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 56.9 t -66.24 -48.04 82.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 C-N-CA 120.34 -0.544 . . . . 0.0 110.362 175.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.51 ' CE2' ' HB3' ' B' ' 28' ' ' LEU . 56.8 t80 -59.13 -48.6 81.01 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.599 -179.061 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.537 ' CE1' ' CB ' ' B' ' 26' ' ' TYR . 12.5 m-70 -67.9 -35.02 77.75 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.853 -177.755 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.37 -45.73 93.18 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.854 179.692 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.489 ' CD2' HD22 ' B' ' 36' ' ' LEU . 89.6 m-70 -65.56 -29.69 70.34 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.029 179.274 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.578 ' HB3' ' O ' ' B' ' 25' ' ' LYS . 14.7 m -49.86 -31.32 11.72 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.364 -177.133 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -54.45 -32.75 52.9 Favored Glycine 0 C--N 1.32 -0.325 0 N-CA-C 110.258 -1.137 . . . . 0.0 110.258 179.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.475 ' HD2' ' H ' ' B' ' 21' ' ' LYS . 0.2 OUTLIER -63.31 -45.08 93.01 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.108 176.006 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 70.6 tt0 -70.74 -44.91 65.81 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 121.027 0.441 . . . . 0.0 111.6 176.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.64 -3.85 62.4 Favored Glycine 0 CA--C 1.537 1.41 0 CA-C-N 116.079 -0.509 . . . . 0.0 113.501 177.031 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 54.9 t0 -58.38 -51.33 70.27 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 178.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.578 ' O ' ' HB3' ' B' ' 19' ' ' SER . 55.9 pttt 164.16 -128.46 0.0 OUTLIER 'General case' 0 C--N 1.309 -1.176 0 C-N-CA 126.134 1.774 . . . . 0.0 106.912 174.771 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.537 ' CB ' ' CE1' ' B' ' 16' ' ' HIS . 0.9 OUTLIER -74.92 92.2 2.54 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 118.263 -1.375 . . . . 0.0 108.109 170.315 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.439 ' O ' ' HA ' ' B' ' 19' ' ' SER . 4.7 mmmm -153.94 162.44 41.22 Favored 'General case' 0 CA--C 1.507 -0.688 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.803 -175.196 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.649 HD11 ' HB2' ' B' ' 32' ' ' GLU . 44.2 tp -135.27 134.67 40.2 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-O 121.293 0.568 . . . . 0.0 110.598 172.645 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -110.57 169.3 8.84 Favored 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 176.122 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.491 ' O ' ' NZ ' ' B' ' 34' ' ' LYS . 0.1 OUTLIER -64.31 -3.48 2.91 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-O 121.07 0.462 . . . . 0.0 111.062 -176.552 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.522 ' O ' ' NZ ' ' B' ' 34' ' ' LYS . 41.5 mttm -60.76 -71.84 0.13 Allowed 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 179.371 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.649 ' HB2' HD11 ' B' ' 28' ' ' LEU . 36.7 mm-40 -75.71 -39.99 56.45 Favored 'General case' 0 N--CA 1.441 -0.876 0 CA-C-N 114.148 -1.387 . . . . 0.0 111.772 -177.626 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.663 HD11 ' CD2' ' B' ' 77' ' ' LEU . 2.8 tm? -44.29 -57.5 3.45 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 116.146 -0.479 . . . . 0.0 112.107 -171.101 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.522 ' NZ ' ' O ' ' B' ' 31' ' ' LYS . 23.0 pttm -61.53 -46.56 89.44 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-O 120.91 0.386 . . . . 0.0 111.63 -178.265 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -67.97 -45.49 74.05 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.999 0.428 . . . . 0.0 111.093 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.492 HD12 ' C ' ' B' ' 36' ' ' LEU . 0.1 OUTLIER -63.82 -43.49 96.06 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.021 -0.536 . . . . 0.0 112.304 177.728 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.651 HD13 ' C ' ' B' ' 37' ' ' LEU . 2.8 tm? -61.18 -47.71 84.93 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 120.646 -0.422 . . . . 0.0 111.303 -176.072 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.475 ' HG3' ' N ' ' B' ' 39' ' ' THR . 15.4 pt20 -64.76 -40.58 95.53 Favored 'General case' 0 C--N 1.315 -0.896 0 C-N-CA 119.869 -0.732 . . . . 0.0 109.669 177.729 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.475 ' N ' ' HG3' ' B' ' 38' ' ' GLN . 96.6 m -62.61 -51.98 65.19 Favored 'General case' 0 N--CA 1.441 -0.911 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.272 -177.798 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -73.17 -41.24 64.1 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.419 -0.512 . . . . 0.0 111.931 -176.401 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 9.8 mp -102.69 30.5 4.66 Favored 'General case' 0 C--O 1.238 0.473 0 N-CA-C 112.497 0.555 . . . . 0.0 112.497 -176.357 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 23.2 m -51.97 -38.79 57.88 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 120.429 -0.508 . . . . 0.0 109.902 178.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -62.35 -50.7 62.39 Favored Glycine 0 N--CA 1.453 -0.183 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 178.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.519 ' CE2' ' HA ' ' B' ' 82' ' ' THR . 19.3 m-85 -62.41 -45.79 91.53 Favored 'General case' 0 CA--C 1.509 -0.617 0 CA-C-O 121.084 0.468 . . . . 0.0 110.097 176.575 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.497 ' O ' HD12 ' B' ' 45' ' ' LEU . 2.7 tp -61.04 -48.74 80.38 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.088 178.192 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -65.76 -41.45 92.07 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-O 120.68 0.276 . . . . 0.0 111.602 176.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . 0.682 ' HB3' ' SD ' ' B' ' 85' ' ' MET . . . -63.52 -41.66 98.49 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.873 -176.454 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.422 ' NE2' ' HB ' ' B' ' 54' ' ' VAL . 0.0 OUTLIER -117.94 30.28 7.34 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.856 0.36 . . . . 0.0 111.196 -177.749 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' B' ' 45' ' ' LEU . 59.0 tttp -61.48 -42.7 99.18 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.345 -176.611 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -64.54 -27.96 69.32 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.007 -177.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 58.5 t -63.74 130.5 28.66 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 -176.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.498 ' OD2' ' NZ ' ' B' ' 56' ' ' LYS . 37.4 t70 -60.72 -36.68 79.44 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.027 -178.331 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.425 ' O ' HG23 ' B' ' 57' ' ' VAL . . . -53.6 -28.36 31.97 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.297 179.6 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.463 ' CG1' ' N ' ' B' ' 55' ' ' ASP . 0.3 OUTLIER -59.15 -47.49 90.01 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 C-N-CA 119.929 -0.709 . . . . 0.0 109.149 178.296 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.494 ' OD2' ' NZ ' ' B' ' 59' ' ' LYS . 28.5 t70 -63.82 -44.95 91.7 Favored 'General case' 0 CA--C 1.492 -1.281 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 175.497 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . 0.498 ' NZ ' ' OD2' ' B' ' 52' ' ' ASP . 41.6 mmtm -63.59 -42.33 98.28 Favored 'General case' 0 N--CA 1.437 -1.125 0 CA-C-N 115.106 -0.952 . . . . 0.0 111.19 -172.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.592 HG12 HD12 ' B' ' 77' ' ' LEU . 98.2 t -61.05 -45.7 98.07 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 C-N-CA 119.39 -0.924 . . . . 0.0 108.879 176.018 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 13.2 mmm -61.12 -42.49 98.64 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 177.142 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . 0.494 ' NZ ' ' OD2' ' B' ' 55' ' ' ASP . 1.1 tppm? -65.36 -44.93 86.08 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.138 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . 0.413 ' HG3' ' O ' ' B' ' 56' ' ' LYS . 96.2 mt-10 -66.31 -40.92 90.27 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.321 -178.674 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.668 HD13 ' OD1' ' B' ' 64' ' ' ASN . 2.6 mm? -76.92 -7.81 56.23 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.983 -177.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -63.59 -35.65 81.2 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 173.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -61.81 -37.74 85.52 Favored 'General case' 0 CA--C 1.508 -0.642 0 CA-C-N 115.342 -0.844 . . . . 0.0 109.708 177.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . 0.668 ' OD1' HD13 ' B' ' 61' ' ' LEU . 12.2 m120 -62.72 -14.59 46.14 Favored 'General case' 0 C--N 1.308 -1.218 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.511 -179.339 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.446 ' N ' ' HE3' ' B' ' 30' ' ' LYS . . . -73.14 29.69 0.8 Allowed Glycine 0 CA--C 1.527 0.791 0 N-CA-C 110.226 -1.15 . . . . 0.0 110.226 173.279 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.549 ' H ' ' C ' ' B' ' 64' ' ' ASN . 24.2 t70 -60.12 -40.45 89.78 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-O 121.335 0.588 . . . . 0.0 109.761 -179.417 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -151.88 -59.76 0.01 OUTLIER Glycine 0 C--N 1.316 -0.582 0 N-CA-C 108.795 -1.722 . . . . 0.0 108.795 175.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -136.45 173.47 11.67 Favored 'General case' 0 C--N 1.315 -0.892 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 173.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.457 HG23 ' HB3' ' B' ' 73' ' ' GLU . 2.5 p -120.79 124.17 71.8 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.988 0 N-CA-C 107.805 -1.184 . . . . 0.0 107.805 172.653 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.12 -178.52 5.0 Favored 'General case' 0 C--N 1.316 -0.879 0 C-N-CA 119.592 -0.843 . . . . 0.0 111.746 -174.035 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -60.05 -44.23 94.83 Favored 'General case' 0 C--N 1.308 -1.197 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.457 -178.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.444 ' NE2' HG12 ' A' ' 76' ' ' VAL . 0.0 OUTLIER -58.45 -44.46 89.24 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.33 178.332 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.559 ' O ' HG22 ' B' ' 76' ' ' VAL . 97.3 mt-10 -69.85 -35.82 75.04 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.407 0.622 . . . . 0.0 110.768 176.546 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 30.4 t80 -60.98 -46.04 92.33 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.492 177.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.819 HG21 ' CB ' ' A' ' 79' ' ' ALA . 35.8 m -64.57 -38.15 81.89 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.326 0 C-N-CA 120.403 -0.519 . . . . 0.0 112.079 -176.649 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.559 HG22 ' O ' ' B' ' 73' ' ' GLU . 26.9 m -63.6 -38.89 83.44 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.635 0 C-N-CA 120.096 -0.642 . . . . 0.0 111.083 -179.453 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.663 ' CD2' HD11 ' B' ' 33' ' ' LEU . 44.5 tp -61.32 -48.15 82.67 Favored 'General case' 0 CA--C 1.515 -0.377 0 C-N-CA 120.491 -0.483 . . . . 0.0 110.542 179.742 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.436 HG12 ' CD2' ' B' ' 37' ' ' LEU . 34.7 m -69.89 -45.42 76.98 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 C-N-CA 119.849 -0.74 . . . . 0.0 110.685 174.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.872 ' CB ' HG21 ' A' ' 75' ' ' VAL . . . -62.07 -46.62 88.3 Favored 'General case' 0 CA--C 1.509 -0.616 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -178.334 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.62 -41.65 90.9 Favored 'General case' 0 N--CA 1.446 -0.647 0 C-N-CA 120.31 -0.556 . . . . 0.0 109.631 -177.365 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.4 HD22 HG23 ' B' ' 54' ' ' VAL . 96.5 mt -65.13 -41.39 94.86 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.423 0.63 . . . . 0.0 109.469 173.019 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.531 HG21 ' HB3' ' A' ' 8' ' ' MET . 21.1 m -61.35 -50.2 73.87 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.682 -178.494 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.435 ' HA ' ' HB3' ' B' ' 86' ' ' ASN . 14.8 p -63.55 -42.16 95.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 C-N-CA 120.376 -0.529 . . . . 0.0 109.793 178.128 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.48 -52.63 64.62 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.36 178.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 85' ' ' MET . . . . . 0.682 ' SD ' ' HB3' ' B' ' 47' ' ' ALA . 37.3 ttp -65.93 -38.99 90.09 Favored 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 177.76 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.513 HD21 ' CD2' ' A' ' 16' ' ' HIS . 26.4 t30 -59.03 -41.41 87.71 Favored 'General case' 0 CA--C 1.508 -0.641 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.825 179.094 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.34 -42.93 96.71 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 178.182 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.549 ' O ' ' N ' ' B' ' 92' ' ' ASN . 31.8 m-85 -67.88 -33.38 74.63 Favored 'General case' 0 C--O 1.215 -0.735 0 CA-C-N 115.417 -0.81 . . . . 0.0 111.881 174.075 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . 0.467 ' HB2' ' HA ' ' B' ' 86' ' ' ASN . 3.9 t80 -53.15 -47.81 68.46 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 -173.724 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . 0.419 ' NE1' ' CE1' ' A' ' 16' ' ' HIS . 28.2 m95 -78.79 -38.51 38.21 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.823 177.325 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -90.14 6.81 41.0 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -174.601 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . 0.549 ' N ' ' O ' ' B' ' 88' ' ' PHE . 4.4 t-20 -59.65 114.98 3.02 Favored 'General case' 0 CA--C 1.505 -0.779 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 -177.308 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.204 -1.316 0 CA-C-O 118.13 -0.938 . . . . 0.0 110.175 -177.791 . . . . . . . . 1 1 . 1 stop_ save_